A0A087Y6N5_POEFO Loading...

Glutathione hydrolase

Cleaves the gamma-glutamyl peptide bond of glutathione and glutathione conjugates.

AlphaFold DB , UniProt , Accession A0A087Y6N5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 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
1M54.5Low67.3Low221 Ų221105.8 Ų105.8100%1.08962%0.623SS**  0-4.50-96.1176.6-81.800114.7
2V54.4Low68.7Low122 Ų122105.5 Ų105.574%0.73962%0.622SS**Hα-helixtrans-83.1-32.6-174.3-176.60000113.9K4 L6V2-K4 PolarHBondContact O-N 3.42Å; V2-L6 PolarHBondContact O-N 3.43Å
3G54.2Low69.8Low48 Ų48106.9 Ų106.950%0.49562%0.624SS.*Hα-helixtrans-69.7-31.7-176.100000115.6I7G3-I7 WeakPolarHBondContact O-CD1 3.35Å; G3-I7 WeakPolarHBondContact O-CG1 3.44Å; G3-I7 PolarHBondContact O-N 3.48Å
4K57.2Low70.9Confident183 Ų183106.7 Ų106.780%0.79662%0.619SS**Hα-helixtrans-73.1-35179.4-71.3-172.8176.2-175.50112.3V2 A8V2-K4 PolarHBondContact O-N 3.42Å; K4-A8 WeakPolarHBondContact O-CB 3.35Å; K4-A8 PolarHBondContact O-N 3.38Å; K4-A8 VanDerWaalsContact O-N 3.1Å
5S61.4Low71.9Confident88 Ų88105.3 Ų105.362%0.61561%0.612SS**Hα-helixtrans-71.5-32.6176.3-60.70000112.6G9S5-G9 PolarHBondContact O-N 2.89Å
6L70.4Confident72.7Confident127 Ų127102.3 Ų102.367%0.66560%0.603SS**Hα-helixtrans-68-44.1176.3-157.883.7000111.5V2 G9 V10V2-L6 PolarHBondContact O-N 3.43Å; L6-G9 PolarHBondContact O-N 3.03Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.47Å
7I73.4Confident73.3Confident116 Ų116100.9 Ų100.960%0.59560%0.596SS**Hα-helixtrans-64.4-42.5177.4-64.8166.4000110.6G3 G9 V10 V11G3-I7 WeakPolarHBondContact O-CD1 3.35Å; G3-I7 WeakPolarHBondContact O-CG1 3.44Å; G3-I7 PolarHBondContact O-N 3.48Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 3.28Å; I7-V10 PolarHBondContact O-N 2.69Å; I7-V11 HydrophobicContact CG2-CG2 4.48Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.39Å; I7-V11 PolarHBondContact O-N 2.89Å
8A74.8Confident73.9Confident55 Ų5599.4 Ų99.446%0.45559%0.588SS.*Hα-helixtrans-61.4-41.6175.300000112K4 V11 V12K4-A8 WeakPolarHBondContact O-CB 3.35Å; K4-A8 PolarHBondContact O-N 3.38Å; K4-A8 VanDerWaalsContact O-N 3.1Å; A8-V11 PolarHBondContact O-N 2.64Å; A8-V12 VanDerWaalsContact O-CG2 3.29Å; A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 2.71Å
9G77.9Confident74.2Confident39 Ų3997.8 Ų97.840%0.40258%0.582SS.*Hα-helixtrans-62.3-43.4176.300000113.2S5 L6 I7 V12 L13S5-G9 PolarHBondContact O-N 2.89Å; L6-G9 PolarHBondContact O-N 3.03Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 3.28Å; G9-V12 PolarHBondContact O-N 3.25Å; G9-L13 PolarHBondContact O-N 3.08Å
10V80.1Confident74.6Confident83 Ų8399.3 Ų99.350%0.50359%0.587SS.*Hα-helixtrans-66.2-40.9178.5173.70000111.5L6 I7 L13 L14L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.47Å; I7-V10 PolarHBondContact O-N 2.69Å; V10-L13 PolarHBondContact O-N 2.83Å; V10-L14 HydrophobicContact CG1-CD1 4.32Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 PolarHBondContact O-N 2.77Å
11V81.8Confident74.8Confident82 Ų82101.8 Ų101.850%0.49759%0.59SS.*Hα-helixtrans-64.8-43177.7172.10000111.2I7 A8 L13 L14 V15I7-V11 HydrophobicContact CG2-CG2 4.48Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.39Å; I7-V11 PolarHBondContact O-N 2.89Å; A8-V11 PolarHBondContact O-N 2.64Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 3.03Å; V11-V15 HydrophobicContact CG1-CG2 4.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.32Å; V11-V15 PolarHBondContact O-N 3.19Å
12V84Confident75.8Confident102 Ų10295.7 Ų95.762%0.61856%0.562SS**Hα-helixtrans-62.4-41176.4170.90000111A8 G9 V15 A16A8-V12 VanDerWaalsContact O-CG2 3.29Å; A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 2.71Å; G9-V12 PolarHBondContact O-N 3.25Å; V12-V15 PolarHBondContact O-N 3.3Å; V12-A16 WeakPolarHBondContact O-CB 3.15Å; V12-A16 PolarHBondContact O-N 3.18Å
13L83.7Confident76.6Confident124 Ų12492.1 Ų92.165%0.64955%0.55SS*.Hα-helixtrans-64.5-42.1177.9-140.6104000111.7G9 V10 V11 A16 T17G9-L13 PolarHBondContact O-N 3.08Å; V10-L13 PolarHBondContact O-N 2.83Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 2.72Å; L13-T17 WeakPolarHBondContact O-CG2 3.37Å; L13-T17 PolarHBondContact O-N 3.28Å; L13-T17 PolarHBondContact O-OG1 3.33Å; L13-T17 VanDerWaalsContact O-OG1 3.06Å
14L85.1Confident77.4Confident104 Ų10493.7 Ų93.755%0.54555%0.549SS..Hα-helixtrans-63.7-46178.3-116.1148.7000111.7V10 V11 A16 T17 V18V10-L14 HydrophobicContact CG1-CD1 4.32Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 PolarHBondContact O-N 2.77Å; V11-L14 PolarHBondContact O-N 3.03Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.18Å; L14-T17 WeakPolarHBondContact CA-OG1 3.24Å; L14-T17 PolarHBondContact O-N 3.43Å; L14-T17 PolarHBondContact O-OG1 3.19Å; L14-V18 WeakPolarHBondContact O-CG2 3.31Å; L14-V18 PolarHBondContact O-N 2.95Å
15V85.3Confident78Confident86 Ų8692.2 Ų92.252%0.52154%0.543SS..Hα-helixtrans-62.5-41.1175.8173.80000110.9V11 V12 V18 S19V11-V15 HydrophobicContact CG1-CG2 4.47Å; V11-V15 WeakPolarHBondContact O-CG2 3.32Å; V11-V15 PolarHBondContact O-N 3.19Å; V12-V15 PolarHBondContact O-N 3.3Å; V15-V18 PolarHBondContact O-N 3.34Å; V15-S19 VanDerWaalsContact O-CB 3.27Å; V15-S19 WeakPolarHBondContact O-CB 3.39Å; V15-S19 PolarHBondContact O-N 3.35Å; V15-S19 PolarHBondContact O-OG 2.75Å
16A84.2Confident78.1Confident57 Ų5795.2 Ų95.247%0.47155%0.549SS..Hα-helixtrans-63.4-43.7176.100000111.7V12 L13 L14 S19 L20V12-A16 WeakPolarHBondContact O-CB 3.15Å; V12-A16 PolarHBondContact O-N 3.18Å; L13-A16 PolarHBondContact O-N 2.72Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.18Å; A16-S19 PolarHBondContact O-N 3.05Å; A16-L20 WeakPolarHBondContact O-CB 3.48Å; A16-L20 PolarHBondContact O-N 3.45Å
17T82.9Confident77Confident79 Ų7992 Ų9249%0.48555%0.548SS..Hα-helixtrans-66-41.3177.246.90000113.1L13 L14 S19 L20 F21L13-T17 WeakPolarHBondContact O-CG2 3.37Å; L13-T17 PolarHBondContact O-N 3.28Å; L13-T17 PolarHBondContact O-OG1 3.33Å; L13-T17 VanDerWaalsContact O-OG1 3.06Å; L14-T17 WeakPolarHBondContact CA-OG1 3.24Å; L14-T17 PolarHBondContact O-N 3.43Å; L14-T17 PolarHBondContact O-OG1 3.19Å; T17-S19 VanDerWaalsContact C-N 3.35Å; T17-L20 PolarHBondContact O-N 3.17Å; T17-F21 WeakPolarHBondContact O-CB 3.31Å; T17-F21 PolarHBondContact O-N 3.27Å
18V85.3Confident75.5Confident73 Ų7392.9 Ų92.944%0.44255%0.552SS.*Hα-helixtrans-66.6-39.9177.1170.70000110.7L14 V15 F21 L22L14-V18 WeakPolarHBondContact O-CG2 3.31Å; L14-V18 PolarHBondContact O-N 2.95Å; V15-V18 PolarHBondContact O-N 3.34Å; V18-F21 PolarHBondContact O-N 2.87Å; V18-L22 HydrophobicContact CG1-CD1 3.85Å; V18-L22 WeakPolarHBondContact O-CB 3.22Å; V18-L22 PolarHBondContact O-N 3.47Å
19S79.2Confident73.9Confident69 Ų6992.3 Ų92.348%0.48355%0.552SS.*Hα-helixtrans-66.7-39.2176.3-55.60000112V15 A16 T17 G23V15-S19 VanDerWaalsContact O-CB 3.27Å; V15-S19 WeakPolarHBondContact O-CB 3.39Å; V15-S19 PolarHBondContact O-N 3.35Å; V15-S19 PolarHBondContact O-OG 2.75Å; A16-S19 PolarHBondContact O-N 3.05Å; T17-S19 VanDerWaalsContact C-N 3.35Å; S19-G23 PolarHBondContact O-N 3.43Å
20L82.3Confident72.2Confident128 Ų128101.8 Ų101.867%0.6758%0.576SS**Hα-helixtrans-66.7-41.4174.8-152.592.1000111A16 T17 G23 V24A16-L20 WeakPolarHBondContact O-CB 3.48Å; A16-L20 PolarHBondContact O-N 3.45Å; T17-L20 PolarHBondContact O-N 3.17Å; L20-G23 PolarHBondContact O-N 3.48Å; L20-V24 WeakPolarHBondContact O-CB 3.49Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.3Å; L20-V24 PolarHBondContact O-N 3.02Å
21F79.1Confident70.1Confident151 Ų151106.9 Ų106.966%0.66259%0.591SS**Hα-helixtrans-66.5-43178.1-157-88.1000111.5T17 V18 V24 F25T17-F21 WeakPolarHBondContact O-CB 3.31Å; T17-F21 PolarHBondContact O-N 3.27Å; V18-F21 PolarHBondContact O-N 2.87Å; F21-V24 PolarHBondContact O-N 3.41Å; F21-F25 HydrophobicContact CE1-CD2 4.24Å; F21-F25 WeakPolarHBondContact O-CB 3.49Å; F21-F25 PolarHBondContact O-N 2.89Å
22L74.8Confident68.1Low94 Ų94110 Ų11049%0.49261%0.605SS.*Hα-helixtrans-64.3-41.2172.2-87.1154.5000112V18 V24 F25 M26V18-L22 HydrophobicContact CG1-CD1 3.85Å; V18-L22 WeakPolarHBondContact O-CB 3.22Å; V18-L22 PolarHBondContact O-N 3.47Å; L22-V24 PolarHBondContact O-N 3.43Å; L22-F25 PolarHBondContact O-N 3.3Å; L22-M26 HydrophobicContact CD2-SD 4.39Å; L22-M26 WeakPolarHBondContact O-CB 3.46Å; L22-M26 VanDerWaalsContact O-CG 3.25Å; L22-M26 WeakPolarHBondContact O-CG 3.4Å; L22-M26 PolarHBondContact O-N 2.93Å
23G72Confident65.7Low47 Ų47110.6 Ų110.649%0.48561%0.609SS.*Hα-helixtrans-63.3-39.117600000112.9S19 L20 G27S19-G23 PolarHBondContact O-N 3.43Å; L20-G23 PolarHBondContact O-N 3.48Å; G23-G27 WeakPolarHBondContact O-CA 3.44Å; G23-G27 PolarHBondContact O-N 3.13Å
24V71.4Confident63.5Low80 Ų80109.8 Ų109.849%0.48561%0.611SS.*Hα-helixtrans-75-40.9175.4172.40000111.2L20 F21 L22 G27 L28L20-V24 WeakPolarHBondContact O-CB 3.49Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.3Å; L20-V24 PolarHBondContact O-N 3.02Å; F21-V24 PolarHBondContact O-N 3.41Å; L22-V24 PolarHBondContact O-N 3.43Å; V24-G27 PolarHBondContact O-N 3.02Å; V24-L28 HydrophobicContact CG1-CD1 3.59Å; V24-L28 HydrophobicContact CG1-CG 4.22Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 WeakPolarHBondContact O-CG 3.35Å; V24-L28 PolarHBondContact O-N 2.77Å
25F69.8Low61.5Low153 Ų153108.3 Ų108.367%0.67161%0.608SS**Hα-helixtrans-71.4-37.3-179.3-160.3-91.3000112.2F21 L22F21-F25 HydrophobicContact CE1-CD2 4.24Å; F21-F25 WeakPolarHBondContact O-CB 3.49Å; F21-F25 PolarHBondContact O-N 2.89Å; L22-F25 PolarHBondContact O-N 3.3Å
26M62.8Low59.4Low150 Ų150108.5 Ų108.574%0.73961%0.611SS**Hα-helixtrans-78.2-32172.1-63.5-175.7102.600112L22 G29L22-M26 HydrophobicContact CD2-SD 4.39Å; L22-M26 WeakPolarHBondContact O-CB 3.46Å; L22-M26 VanDerWaalsContact O-CG 3.25Å; L22-M26 WeakPolarHBondContact O-CG 3.4Å; L22-M26 PolarHBondContact O-N 2.93Å; M26-G29 PolarHBondContact O-N 3.16Å
27G47.1Very low57.8Low61 Ų61110.2 Ų110.263%0.62962%0.619SS**Hα-helixtrans-74.1-22.6173.900000114.3G23 V24 G29G23-G27 WeakPolarHBondContact O-CA 3.44Å; G23-G27 PolarHBondContact O-N 3.13Å; V24-G27 PolarHBondContact O-N 3.02Å; G27-G29 VanDerWaalsContact C-N 3.29Å
28L42.9Very low56.9Low133 Ų133110 Ų11070%0.69662%0.615SS**THydrogen-bonded Turntrans-92.220.3168-69.6170.3000112.1V24 R30V24-L28 HydrophobicContact CG1-CD1 3.59Å; V24-L28 HydrophobicContact CG1-CG 4.22Å; V24-L28 WeakPolarHBondContact O-CB 3.38Å; V24-L28 WeakPolarHBondContact O-CG 3.35Å; V24-L28 PolarHBondContact O-N 2.77Å; L28-R30 PolarHBondContact O-N 2.91Å; L28-R30 VanDerWaalsContact O-N 3.12Å
29G40.4Very low56.6Low44 Ų44108.3 Ų108.345%0.45460%0.601SS.*SBendtrans-45.7126.3159.300000107.7M26 G27 K31M26-G29 PolarHBondContact O-N 3.16Å; G27-G29 VanDerWaalsContact C-N 3.29Å; G29-K31 PolarHBondContact O-N 2.77Å
30R42.2Very low57Low238 Ų238108 Ų10890%0.89859%0.591SS**  trans-35.2108.5178.8-92.3177.4170.5169.5-3.4107.3L28 N32L28-R30 PolarHBondContact O-N 2.91Å; L28-R30 VanDerWaalsContact O-N 3.12Å; R30-N32 PolarHBondContact O-N 2.9Å
31K35.4Very low57.5Low189 Ų189103.3 Ų103.382%0.82257%0.565SS**  trans-57.8103.3163.3-81.4-178176.9178.40103G29 T33G29-K31 PolarHBondContact O-N 2.77Å; K31-T33 PolarHBondContact O-N 2.94Å
32N40Very low58.1Low148 Ų14899.2 Ų99.279%0.79156%0.555SS**  trans-58.187.8154-79.7-15.6000103R30 P34R30-N32 PolarHBondContact O-N 2.9Å; N32-P34 WeakPolarHBondContact O-CD 3.23Å; N32-P34 VanDerWaalsContact O-N 3.09Å
33T33.9Very low59Low114 Ų11499.2 Ų99.270%0.69955%0.551SS**PPolyproline II helixtrans-51121.4163.520.40000103.9K31K31-T33 PolarHBondContact O-N 2.94Å
34P38.1Very low60.2Low108 Ų10897 Ų9770%0.70153%0.528SS*.PPolyproline II helixtrans-48.5137.1167-18.929.2000106.3N32N32-P34 WeakPolarHBondContact O-CD 3.23Å; N32-P34 VanDerWaalsContact O-N 3.09Å
35P41.8Very low61.5Low73 Ų7393.2 Ų93.247%0.47451%0.505SS..PPolyproline II helixtrans-48.6139.2174.317.9-28.5000108.8S37 Y39P35-S37 PolarHBondContact O-N 3.46Å; P35-Y39 HydrophobicContact CB-CE2 4.41Å; P35-Y39 WeakPolarHBondContact CB-OH 3.35Å
36P42.6Very low62.9Low89 Ų8985.9 Ų85.958%0.57847%0.473SS*.  trans-45.3137.7-177.2-0-8.6000109.8D38P36-D38 PolarHBondContact O-N 3.25Å
37S49.6Very low64.6Low93 Ų9378.8 Ų78.865%0.6544%0.438SS*.SBendtrans-62.5-12.8-162.851.10000114.6P35P35-S37 PolarHBondContact O-N 3.46Å
38D64.2Low66.9Low75 Ų7575.9 Ų75.940%0.40141%0.408SS..SBendtrans-150.7130166.8-58.7-66.3000110.3P36 F40P36-D38 PolarHBondContact O-N 3.25Å; D38-F40 HydrophobicContact CB-CD2 3.39Å; D38-F40 HydrophobicContact CB-CE2 3.28Å; D38-F40 HydrophobicContact CB-CZ 4.46Å; D38-F40 PolarHBondContact O-N 3.4Å
39Y79.1Confident69.2Low38 Ų3869.5 Ų69.515%0.14938%0.375CS..  trans-82.878.5179.6-70.5-71.4000111.7P35 Y41 C584 A585 P595P35-Y39 HydrophobicContact CB-CE2 4.41Å; P35-Y39 WeakPolarHBondContact CB-OH 3.35Å; Y39-Y41 VanDerWaalsContact CD1-OH 3.3Å; Y39-Y41 WeakPolarHBondContact CD1-OH 3.38Å; Y39-Y41 WeakPolarHBondContact O-CE2 3.32Å; Y39-C584 WeakPolarHBondContact O-CA 3.37Å; Y39-A585 VanDerWaalsContact CB-O 3.22Å; Y39-A585 WeakPolarHBondContact CB-O 3.28Å; Y39-A585 PolarHBondContact O-N 2.95Å; Y39-P595 HydrophobicContact CD1-CG 3.8Å; Y39-P595 HydrophobicContact CD2-CG 3.35Å; Y39-P595 HydrophobicContact CE1-CG 4.22Å; Y39-P595 HydrophobicContact CE2-CG 3.83Å; Y39-P595 HydrophobicContact CG-CG 3.33Å
40F86.9Confident71.7Confident61 Ų6167.7 Ų67.727%0.26836%0.356SS..EExtended strand (participates in β ladder)trans-98.3131175.4-73.8-81.9000113.1D38 Q579 R582 L583 C584D38-F40 HydrophobicContact CB-CD2 3.39Å; D38-F40 HydrophobicContact CB-CE2 3.28Å; D38-F40 HydrophobicContact CB-CZ 4.46Å; D38-F40 PolarHBondContact O-N 3.4Å; F40-Q579 VanDerWaalsContact CE1-OE1 3.25Å; F40-R582 VanDerWaalsContact CB-CZ 3.5Å; F40-R582 HydrophobicContact CD1-CB 4.32Å; F40-L583 CarbonylContact C-O 3.54Å; F40-L583 VanDerWaalsContact CA-O 3.26Å; F40-L583 WeakPolarHBondContact CA-O 3.27Å; F40-C584 HydrophobicContact CD1-CB 3.99Å; F40-C584 HydrophobicContact CE1-CB 3.77Å; F40-C584 HydrophobicContact CZ-CB 4.38Å
41Y92.7Very high74.2Confident31 Ų3156.5 Ų56.512%0.12231%0.314CS..EExtended strand (participates in β ladder)trans-122154.2178.8-51.5-72.3000110.5Y39 A44 A45 R582 L583 A585 P595 A596 G597Y39-Y41 VanDerWaalsContact CD1-OH 3.3Å; Y39-Y41 WeakPolarHBondContact CD1-OH 3.38Å; Y39-Y41 WeakPolarHBondContact O-CE2 3.32Å; Y41-A44 WeakPolarHBondContact CB-O 3.11Å; Y41-A45 HydrophobicContact CD2-CB 3.54Å; Y41-A45 HydrophobicContact CE2-CB 4.21Å; Y41-A45 HydrophobicContact CG-CB 4.17Å; Y41-R582 WeakPolarHBondContact O-CA 3.32Å; Y41-L583 PolarHBondContact N-O 2.86Å; Y41-L583 PolarHBondContact O-N 3.47Å; Y41-A585 HydrophobicContact CD2-CB 4.3Å; Y41-A585 HydrophobicContact CE2-CB 3.99Å; Y41-P595 HydrophobicContact CE2-CB 4.38Å; Y41-P595 PolarHBondContact OH-O 3.31Å; Y41-P595 VanDerWaalsContact OH-O 3.07Å; Y41-A596 WeakPolarHBondContact OH-CA 3.29Å; Y41-G597 WeakPolarHBondContact CD1-O 3.33Å
42S91.8Very high77.1Confident65 Ų6552 Ų5246%0.45529%0.294SS..SBendtrans-95-30.3-171.365.90000113.1Y598S42-Y598 PolarHBondContact N-O 3.47Å; S42-Y598 PolarHBondContact N-OXT 2.93Å; S42-Y598 PolarHBondContact OG-O 2.82Å; S42-Y598 PolarHBondContact OG-OXT 3.44Å
43K94.8Very high79.9Confident94 Ų9444.9 Ų44.941%0.40926%0.256SS..SBendtrans-124.2-52.5-170.1-71.4164.3166-118.40111.9E394 Y598K43-E394 HydrophobicContact CB-CB 4.25Å; K43-E394 HydrophobicContact CB-CG 3.97Å; K43-E394 WeakPolarHBondContact CE-OE1 3.24Å; K43-E394 HydrophobicContact CG-CG 4.23Å; K43-E394 IonicContact NZ-OE1 3.42Å; K43-E394 PolarHBondContact NZ-OE1 2.96Å; K43-E394 IonicContact NZ-OE2 3.2Å; K43-E394 WeakPolarHBondContact O-CA 3.22Å; K43-Y598 HydrophobicContact CB-CD2 4.04Å; K43-Y598 HydrophobicContact CB-CE2 3.97Å; K43-Y598 HydrophobicContact CD-CD2 3.77Å; K43-Y598 HydrophobicContact CD-CE2 3.85Å; K43-Y598 PolarHBondContact N-O 3.41Å
44A97.8Very high83Confident0 Ų039.5 Ų39.50%022%0.223CC..  trans-146.3151.9-171.900000111.7Y41 L61 I392 G597 Y598Y41-A44 WeakPolarHBondContact CB-O 3.11Å; A44-L61 HydrophobicContact CB-CD1 3.97Å; A44-I392 WeakPolarHBondContact CA-O 3.32Å; A44-I392 WeakPolarHBondContact CB-O 3.48Å; A44-G597 CarbonylContact O-C 3.52Å; A44-G597 WeakPolarHBondContact O-CA 3.45Å; A44-Y598 HydrophobicContact CB-CD1 4.5Å; A44-Y598 HydrophobicContact CB-CE1 3.93Å; A44-Y598 PolarHBondContact N-O 2.73Å; A44-Y598 PolarHBondContact O-N 3Å; A44-Y598 VanDerWaalsContact O-N 3.08Å
45A98.2Very high85.8Confident0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-149.7146.3179.600000112.3Y41 I392 V576 L583 A585Y41-A45 HydrophobicContact CD2-CB 3.54Å; Y41-A45 HydrophobicContact CE2-CB 4.21Å; Y41-A45 HydrophobicContact CG-CB 4.17Å; A45-I392 PolarHBondContact N-O 3.48Å; A45-I392 PolarHBondContact O-N 2.74Å; A45-V576 HydrophobicContact CB-CG1 3.71Å; A45-V576 HydrophobicContact CB-CG2 4.42Å; A45-L583 HydrophobicContact CB-CB 4.1Å; A45-L583 HydrophobicContact CB-CD1 4.04Å; A45-A585 HydrophobicContact CB-CB 3.9Å
46V98.6Very high88.6Confident0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-130.4129.6179.7-1790000108.2L61 L389 S390 V391 P595 A596V46-L61 HydrophobicContact CG2-CD1 3.64Å; V46-L389 HydrophobicContact CG1-CD1 3.7Å; V46-S390 WeakPolarHBondContact CA-O 3.41Å; V46-V391 HydrophobicContact CG1-CG2 4.16Å; V46-V391 HydrophobicContact CG2-CG1 4.21Å; V46-V391 HydrophobicContact CG2-CG2 4.22Å; V46-P595 CarbonylContact O-C 3.59Å; V46-P595 VanDerWaalsContact O-CA 3.27Å; V46-P595 WeakPolarHBondContact O-CA 3.35Å; V46-A596 PolarHBondContact N-O 3.36Å; V46-A596 PolarHBondContact O-N 2.68Å
47A97.8Very high91.2Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-124.3118.8173.400000109.4L389 S390 Q574 V576 S587 P595A47-L389 WeakPolarHBondContact O-CA 3.49Å; A47-S390 PolarHBondContact N-O 3.07Å; A47-S390 PolarHBondContact O-N 2.96Å; A47-Q574 HydrophobicContact CB-CB 3.91Å; A47-Q574 WeakPolarHBondContact O-CB 3.4Å; A47-V576 HydrophobicContact CB-CG2 3.97Å; A47-S587 WeakPolarHBondContact CA-OG 3.28Å; A47-S587 WeakPolarHBondContact CB-OG 3.4Å; A47-P595 HydrophobicContact CB-CB 4.29Å
48A96.6Very high93.6Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-129.7156.4-177.300000111.5A50 C53 S54 V78 L389 Q574 S587A48-A50 PolarHBondContact O-N 2.92Å; A48-C53 HydrophobicContact CB-CB 4.44Å; A48-S54 WeakPolarHBondContact CB-OG 3.47Å; A48-S54 PolarHBondContact N-OG 2.92Å; A48-S54 VanDerWaalsContact N-OG 3.11Å; A48-V78 HydrophobicContact CB-CG2 4.24Å; A48-L389 HydrophobicContact CB-CD1 3.5Å; A48-L389 VanDerWaalsContact CB-CD1 3.5Å; A48-Q574 VanDerWaalsContact C-OE1 3.25Å; A48-Q574 PolarHBondContact O-OE1 3.33Å; A48-Q574 VanDerWaalsContact O-OE1 3.07Å; A48-S587 PolarHBondContact N-OG 3.09Å; A48-S587 PolarHBondContact O-OG 3.22Å
49D91.4Very high95.2Very high0 Ų026.6 Ų26.60%013%0.128CC..SBendtrans-56.9-18.9175.3-85.526.7000114.1N82 A387 H388 S477 V572 Q574 K591 G593D49-N82 WeakPolarHBondContact CB-ND2 3.48Å; D49-A387 HydrophobicContact CB-CB 4.28Å; D49-A387 WeakPolarHBondContact OD2-CA 3.35Å; D49-H388 PolarHBondContact N-O 3.44Å; D49-H388 PolarHBondContact OD1-N 2.61Å; D49-S477 PolarHBondContact OD2-OG 2.87Å; D49-V572 WeakPolarHBondContact OD2-CG2 3.22Å; D49-Q574 WeakPolarHBondContact OD1-CG 3.34Å; D49-Q574 PolarHBondContact OD1-NE2 3.22Å; D49-K591 HydrophobicContact CB-CD 4.41Å; D49-K591 WeakPolarHBondContact OD2-CD 3.07Å; D49-K591 IonicContact OD2-NZ 3.54Å; D49-K591 PolarHBondContact OD2-NZ 2.85Å; D49-G593 PolarHBondContact O-N 3.28Å
50A93.3Very high96.1Very high6 Ų624.9 Ų24.95%0.0512%0.121CC..SBendtrans-130121.3176.200000110.4A48 K52 C53 S54 L81A48-A50 PolarHBondContact O-N 2.92Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.33Å; A50-C53 HydrophobicContact CB-CB 4.44Å; A50-C53 WeakPolarHBondContact O-CA 3.39Å; A50-C53 WeakPolarHBondContact O-CB 3.37Å; A50-C53 PolarHBondContact O-N 3.11Å; A50-S54 PolarHBondContact O-N 3.04Å; A50-L81 HydrophobicContact CB-CB 3.84Å; A50-L81 HydrophobicContact CB-CD2 3.82Å; A50-L81 HydrophobicContact CB-CG 4.5Å
51G93.8Very high96.7Very high2 Ų222.3 Ų22.32%0.02111%0.11CC..Hα-helixtrans-65.9-30-168.700000115C53 S54 E55 G592 Y594G51-C53 PolarHBondContact O-N 2.86Å; G51-S54 WeakPolarHBondContact O-CB 3.47Å; G51-S54 PolarHBondContact O-N 3.41Å; G51-S54 VanDerWaalsContact O-N 3.15Å; G51-E55 PolarHBondContact O-N 2.92Å; G51-E55 VanDerWaalsContact O-N 3.16Å; G51-G592 PolarHBondContact N-O 2.65Å; G51-Y594 VanDerWaalsContact C-CZ 3.42Å; G51-Y594 VanDerWaalsContact CA-O 3.27Å; G51-Y594 WeakPolarHBondContact CA-O 3.29Å; G51-Y594 WeakPolarHBondContact O-CE2 3.31Å
52K96.3Very high97Very high94 Ų9426.3 Ų26.341%0.40913%0.128SC..Hα-helixtrans-60.5-31.6171.6-173.562.7-171.8168.20112.2A50 E55 V56 L81A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.33Å; K52-E55 WeakPolarHBondContact CD-OE2 3.47Å; K52-E55 IonicContact NZ-OE2 3.41Å; K52-E55 PolarHBondContact NZ-OE2 3.28Å; K52-E55 WeakPolarHBondContact O-CB 3.21Å; K52-E55 PolarHBondContact O-N 2.95Å; K52-V56 PolarHBondContact O-N 3.27Å; K52-V56 VanDerWaalsContact O-N 3.14Å; K52-L81 HydrophobicContact CB-CD2 3.71Å; K52-L81 HydrophobicContact CG-CD2 4.44Å
53C98.2Very high97.2Very high0 Ų028.6 Ų28.60%013%0.127CC..Hα-helixtrans-80.8-26.7178.8-54.10000112.6A48 A50 G51 E55 V56 G57 A74 C77 V78A48-C53 HydrophobicContact CB-CB 4.44Å; A50-C53 HydrophobicContact CB-CB 4.44Å; A50-C53 WeakPolarHBondContact O-CA 3.39Å; A50-C53 WeakPolarHBondContact O-CB 3.37Å; A50-C53 PolarHBondContact O-N 3.11Å; G51-C53 PolarHBondContact O-N 2.86Å; C53-E55 VanDerWaalsContact C-N 3.28Å; C53-E55 PolarHBondContact O-N 3.23Å; C53-V56 PolarHBondContact O-N 2.9Å; C53-G57 PolarHBondContact O-N 3.36Å; C53-A74 WeakPolarHBondContact O-CB 3.45Å; C53-C77 WeakPolarHBondContact CA-SG 3.33Å; C53-C77 HydrophobicContact CB-CB 3.66Å; C53-C77 WeakPolarHBondContact CB-SG 3.47Å; C53-C77 WeakPolarHBondContact SG-CB 3.48Å; C53-C77 PolarHBondContact SG-O 3.46Å; C53-C77 VanDerWaalsContact SG-O 3.38Å; C53-C77 CovalentContact SG-SG 2.05Å; C53-C77 PolarHBondContact SG-SG 3.14Å; C53-V78 HydrophobicContact CB-CG2 3.53Å; C53-V78 PolarHBondContact SG-N 3.42Å
54S98.6Very high97.4Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-59.4-42.3164-520000110.9A48 A50 G51 G57 R58 Y594A48-S54 WeakPolarHBondContact CB-OG 3.47Å; A48-S54 PolarHBondContact N-OG 2.92Å; A48-S54 VanDerWaalsContact N-OG 3.11Å; A50-S54 PolarHBondContact O-N 3.04Å; G51-S54 WeakPolarHBondContact O-CB 3.47Å; G51-S54 PolarHBondContact O-N 3.41Å; G51-S54 VanDerWaalsContact O-N 3.15Å; S54-G57 PolarHBondContact O-N 2.83Å; S54-R58 WeakPolarHBondContact O-CB 3.22Å; S54-R58 PolarHBondContact O-N 2.95Å; S54-Y594 WeakPolarHBondContact CB-O 3.44Å; S54-Y594 PolarHBondContact OG-O 3.39Å
55E98.6Very high97.4Very high40 Ų4030.3 Ų30.319%0.18714%0.141CC..Hα-helixtrans-62.1-42.8175.3-62.8175.5-177.400112.3G51 K52 C53 G57 R58 D59 Y594 A596G51-E55 PolarHBondContact O-N 2.92Å; G51-E55 VanDerWaalsContact O-N 3.16Å; K52-E55 WeakPolarHBondContact CD-OE2 3.47Å; K52-E55 IonicContact NZ-OE2 3.41Å; K52-E55 PolarHBondContact NZ-OE2 3.28Å; K52-E55 WeakPolarHBondContact O-CB 3.21Å; K52-E55 PolarHBondContact O-N 2.95Å; C53-E55 VanDerWaalsContact C-N 3.28Å; C53-E55 PolarHBondContact O-N 3.23Å; E55-G57 PolarHBondContact O-N 2.82Å; E55-R58 WeakPolarHBondContact O-CB 3.33Å; E55-R58 PolarHBondContact O-N 3.48Å; E55-D59 WeakPolarHBondContact O-CB 3.45Å; E55-D59 PolarHBondContact O-N 3.19Å; E55-Y594 HydrophobicContact CG-CE2 4.1Å; E55-Y594 WeakPolarHBondContact OE1-CE2 3.48Å; E55-Y594 PolarHBondContact OE1-OH 2.92Å; E55-A596 HydrophobicContact CG-CB 4.23Å
56V98.8Very high97.4Very high14 Ų1430.5 Ų30.59%0.08514%0.143CC..Hα-helixtrans-57-50.4175.51710000110.5K52 C53 R58 D59 I60 A73 C77 P163K52-V56 PolarHBondContact O-N 3.27Å; K52-V56 VanDerWaalsContact O-N 3.14Å; C53-V56 PolarHBondContact O-N 2.9Å; V56-R58 PolarHBondContact O-N 3.24Å; V56-D59 PolarHBondContact O-N 3Å; V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.4Å; V56-I60 VanDerWaalsContact O-N 3.08Å; V56-A73 HydrophobicContact CG1-CB 3.9Å; V56-C77 HydrophobicContact CB-CB 4.48Å; V56-C77 HydrophobicContact CG2-CB 4.26Å; V56-P163 HydrophobicContact CG1-CB 3.81Å; V56-P163 HydrophobicContact CG1-CG 3.97Å; V56-P163 HydrophobicContact CG2-CB 4.04Å
57G98.8Very high97.4Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-60.3-44.5176.900000112.7C53 S54 E55 D59 I60 L61 A70C53-G57 PolarHBondContact O-N 3.36Å; S54-G57 PolarHBondContact O-N 2.83Å; E55-G57 PolarHBondContact O-N 2.82Å; G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 2.8Å; G57-I60 PolarHBondContact O-N 3.23Å; G57-L61 WeakPolarHBondContact O-CG 3.33Å; G57-L61 PolarHBondContact O-N 3.29Å; G57-A70 WeakPolarHBondContact O-CB 3.47Å
58R98.6Very high97.5Very high50 Ų5030.8 Ų30.819%0.18915%0.145CC..Hα-helixtrans-57.7-44175.2178.2-156.464.7-148.9-8.8111.8S54 E55 V56 I60 L61 K62 A596 G597 Y598S54-R58 WeakPolarHBondContact O-CB 3.22Å; S54-R58 PolarHBondContact O-N 2.95Å; E55-R58 WeakPolarHBondContact O-CB 3.33Å; E55-R58 PolarHBondContact O-N 3.48Å; V56-R58 PolarHBondContact O-N 3.24Å; R58-I60 VanDerWaalsContact C-N 3.32Å; R58-L61 WeakPolarHBondContact O-CB 3.3Å; R58-L61 PolarHBondContact O-N 2.94Å; R58-K62 PolarHBondContact O-N 3.47Å; R58-A596 HydrophobicContact CB-CB 4Å; R58-G597 VanDerWaalsContact CD-O 3.27Å; R58-G597 WeakPolarHBondContact CD-O 3.46Å; R58-Y598 HydrophobicContact CG-CD1 3.83Å; R58-Y598 HydrophobicContact CG-CE1 4.39Å
59D98.8Very high97.6Very high64 Ų6430.8 Ų30.834%0.34215%0.145SC..Hα-helixtrans-70.6-31.5-175.4-67.1-14.7000111.6E55 V56 G57 K62 R63E55-D59 WeakPolarHBondContact O-CB 3.45Å; E55-D59 PolarHBondContact O-N 3.19Å; V56-D59 PolarHBondContact O-N 3Å; G57-D59 VanDerWaalsContact C-N 3.31Å; G57-D59 PolarHBondContact O-N 2.8Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-R63 WeakPolarHBondContact O-CG 3.28Å; D59-R63 PolarHBondContact O-N 3.32Å
60I98.8Very high97.9Very high2 Ų230.8 Ų30.81%0.0115%0.145CC..Hα-helixtrans-63.8-45.4167.6-67.9-61.4000111.6V56 G57 R58 K62 R63 G65 D69 A70 A73 L155 L160V56-I60 WeakPolarHBondContact O-CG1 3.45Å; V56-I60 PolarHBondContact O-N 3.4Å; V56-I60 VanDerWaalsContact O-N 3.08Å; G57-I60 PolarHBondContact O-N 3.23Å; R58-I60 VanDerWaalsContact C-N 3.32Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.24Å; I60-R63 WeakPolarHBondContact O-CB 3.26Å; I60-R63 PolarHBondContact O-N 3.13Å; I60-G65 PolarHBondContact O-N 3.41Å; I60-G65 VanDerWaalsContact O-N 3.09Å; I60-D69 HydrophobicContact CG2-CB 3.67Å; I60-A70 HydrophobicContact CB-CB 4.33Å; I60-A70 HydrophobicContact CG2-CB 4.09Å; I60-A73 HydrophobicContact CD1-CB 4.22Å; I60-A73 HydrophobicContact CG1-CB 3.62Å; I60-L155 HydrophobicContact CD1-CD1 4.13Å; I60-L155 HydrophobicContact CG2-CD1 3.86Å; I60-L160 HydrophobicContact CD1-CD2 4.39Å; I60-L160 HydrophobicContact CG2-CD2 4.47Å
61L98.7Very high98.2Very high6 Ų630.5 Ų30.53%0.03114%0.143CC..Hα-helixtrans-60.1-40.5175.8-66.8170.4000111.6A44 V46 G57 R58 R63 N64 A70 V391 A393 Y598A44-L61 HydrophobicContact CB-CD1 3.97Å; V46-L61 HydrophobicContact CG2-CD1 3.64Å; G57-L61 WeakPolarHBondContact O-CG 3.33Å; G57-L61 PolarHBondContact O-N 3.29Å; R58-L61 WeakPolarHBondContact O-CB 3.3Å; R58-L61 PolarHBondContact O-N 2.94Å; L61-R63 PolarHBondContact O-N 2.97Å; L61-N64 PolarHBondContact O-N 2.85Å; L61-A70 HydrophobicContact CD1-CB 4.16Å; L61-A70 HydrophobicContact CD2-CB 3.67Å; L61-A70 HydrophobicContact CG-CB 3.57Å; L61-V391 HydrophobicContact CD1-CG1 4.16Å; L61-A393 HydrophobicContact CD2-CB 3.87Å; L61-Y598 VanDerWaalsContact C-OH 3.31Å; L61-Y598 HydrophobicContact CB-CE1 3.84Å; L61-Y598 PolarHBondContact O-OH 3.1Å; L61-Y598 VanDerWaalsContact O-OH 3.12Å
62K98.3Very high98.5Very high115 Ų11530.4 Ų30.450%0.514%0.142SC..Hα-helixtrans-63.4-23.7176.7-75.9-178.6174.2176.90113.7R58 D59 I60 N64 Y598R58-K62 PolarHBondContact O-N 3.47Å; D59-K62 PolarHBondContact O-N 3.44Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.24Å; K62-N64 PolarHBondContact O-N 2.88Å; K62-Y598 HydrophobicContact CB-CE1 4.42Å; K62-Y598 HydrophobicContact CD-CD1 4.22Å; K62-Y598 HydrophobicContact CG-CD1 3.54Å; K62-Y598 HydrophobicContact CG-CD2 4.49Å; K62-Y598 HydrophobicContact CG-CE1 3.45Å; K62-Y598 VanDerWaalsContact CG-CE1 3.45Å; K62-Y598 HydrophobicContact CG-CE2 4.42Å; K62-Y598 HydrophobicContact CG-CG 4.08Å
63R97.6Very high98.6Very high113 Ų11326 Ų2643%0.42612%0.122SC..THydrogen-bonded Turntrans-86.416.3174.3-67.916864.1173.46.6112.5D59 I60 L61 G65 L155 E159D59-R63 WeakPolarHBondContact O-CG 3.28Å; D59-R63 PolarHBondContact O-N 3.32Å; I60-R63 WeakPolarHBondContact O-CB 3.26Å; I60-R63 PolarHBondContact O-N 3.13Å; L61-R63 PolarHBondContact O-N 2.97Å; R63-G65 PolarHBondContact O-N 3.36Å; R63-L155 HydrophobicContact CB-CD1 4.23Å; R63-E159 IonicContact CZ-OE2 2.7Å; R63-E159 IonicContact NE-OE2 2.64Å; R63-E159 VanDerWaalsContact NH2-CD 3.27Å; R63-E159 IonicContact NH2-OE2 3.21Å; R63-E159 PolarHBondContact NH2-OE2 2.86Å
64N97.3Very high98.6Very high125 Ų12526 Ų2667%0.66812%0.122SC*.THydrogen-bonded Turntrans65.325.2-176.5-163.945.4000113.7L61 K62L61-N64 PolarHBondContact O-N 2.85Å; K62-N64 PolarHBondContact O-N 2.88Å
65G98.5Very high98.6Very high5 Ų526 Ų265%0.05212%0.123CC..  trans-69.3154.7167.800000112.3I60 R63I60-G65 PolarHBondContact O-N 3.41Å; I60-G65 VanDerWaalsContact O-N 3.09Å; R63-G65 PolarHBondContact O-N 3.36Å
66S98.8Very high98.6Very high5 Ų524.1 Ų24.14%0.03511%0.114CC..  trans-70.5168.1172.764.30000112V68 D69 A70 H152S66-V68 PolarHBondContact O-N 3.21Å; S66-V68 PolarHBondContact OG-N 3.22Å; S66-D69 WeakPolarHBondContact CB-OD2 3.43Å; S66-D69 PolarHBondContact N-OD2 2.92Å; S66-D69 PolarHBondContact O-N 3.11Å; S66-D69 PolarHBondContact OG-N 2.93Å; S66-D69 PolarHBondContact OG-OD2 3.24Å; S66-A70 PolarHBondContact O-N 2.72Å; S66-A70 VanDerWaalsContact O-N 3.08Å; S66-H152 WeakPolarHBondContact CB-O 3.28Å; S66-H152 PolarHBondContact OG-O 3.21Å; S66-H152 VanDerWaalsContact OG-O 3.04Å
67A98.8Very high98.6Very high4 Ų423.4 Ų23.43%0.03311%0.11CC..Hα-helixtrans-54.7-37168.200000111.6S71 V391 A393 V399A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 3.2Å; A67-S71 PolarHBondContact O-OG 3.09Å; A67-V391 HydrophobicContact CB-CG1 4.14Å; A67-A393 HydrophobicContact CB-CB 3.87Å; A67-V399 HydrophobicContact CB-CG2 3.75Å
68V98.9Very high98.6Very high2 Ų223.5 Ų23.51%0.01211%0.11CC..Hα-helixtrans-71.3-42.9178.6169.40000112.5S66 A70 S71 I72 I96 A148 H152 V399S66-V68 PolarHBondContact O-N 3.21Å; S66-V68 PolarHBondContact OG-N 3.22Å; V68-A70 VanDerWaalsContact C-N 3.28Å; V68-A70 PolarHBondContact O-N 3.04Å; V68-S71 PolarHBondContact O-N 2.84Å; V68-S71 VanDerWaalsContact O-N 3.11Å; V68-I72 HydrophobicContact CG1-CD1 3.81Å; V68-I72 HydrophobicContact CG1-CG1 4.38Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 2.85Å; V68-I96 HydrophobicContact CG2-CD1 3.92Å; V68-I96 HydrophobicContact CG2-CG1 4.28Å; V68-I96 HydrophobicContact CG2-CG2 3.97Å; V68-A148 HydrophobicContact CG1-CB 3.66Å; V68-H152 HydrophobicContact CB-CB 3.92Å; V68-H152 HydrophobicContact CG1-CB 4.44Å; V68-H152 HydrophobicContact CG2-CB 3.6Å; V68-V399 HydrophobicContact CG2-CG2 3.75Å
69D98.9Very high98.6Very high0 Ų021.3 Ų21.30%010%0.103CC..Hα-helixtrans-57.1-46.4174.7-65.2-44.3000110.6I60 S66 S71 I72 A73 H149 G153 R154 L155 L160I60-D69 HydrophobicContact CG2-CB 3.67Å; S66-D69 WeakPolarHBondContact CB-OD2 3.43Å; S66-D69 PolarHBondContact N-OD2 2.92Å; S66-D69 PolarHBondContact O-N 3.11Å; S66-D69 PolarHBondContact OG-N 2.93Å; S66-D69 PolarHBondContact OG-OD2 3.24Å; D69-S71 VanDerWaalsContact C-N 3.29Å; D69-S71 PolarHBondContact O-N 3.3Å; D69-I72 PolarHBondContact O-N 3.08Å; D69-A73 PolarHBondContact O-N 3.26Å; D69-A73 VanDerWaalsContact O-N 3.1Å; D69-H149 IonicContact OD1-CD2 3.11Å; D69-H149 PolarHBondContact OD1-CD2 2.98Å; D69-H149 VanDerWaalsContact OD1-CD2 3.22Å; D69-H149 IonicContact OD1-NE2 2.79Å; D69-H149 PolarHBondContact OD1-NE2 2.72Å; D69-G153 VanDerWaalsContact OD1-CA 3.29Å; D69-G153 WeakPolarHBondContact OD1-CA 3.29Å; D69-R154 PolarHBondContact OD1-N 3.12Å; D69-R154 WeakPolarHBondContact OD2-CA 3.25Å; D69-R154 WeakPolarHBondContact OD2-CB 3.47Å; D69-R154 PolarHBondContact OD2-N 3.33Å; D69-L155 PolarHBondContact OD2-N 3.3Å; D69-L155 VanDerWaalsContact OD2-N 3.15Å; D69-L160 HydrophobicContact CB-CD1 4.49Å; D69-L160 HydrophobicContact CB-CD2 3.67Å
70A98.9Very high98.5Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-62-39.3177.500000111.7G57 I60 L61 S66 V68 A74G57-A70 WeakPolarHBondContact O-CB 3.47Å; I60-A70 HydrophobicContact CB-CB 4.33Å; I60-A70 HydrophobicContact CG2-CB 4.09Å; L61-A70 HydrophobicContact CD1-CB 4.16Å; L61-A70 HydrophobicContact CD2-CB 3.67Å; L61-A70 HydrophobicContact CG-CB 3.57Å; S66-A70 PolarHBondContact O-N 2.72Å; S66-A70 VanDerWaalsContact O-N 3.08Å; V68-A70 VanDerWaalsContact C-N 3.28Å; V68-A70 PolarHBondContact O-N 3.04Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3Å
71S98.9Very high98.5Very high0 Ų019.5 Ų19.50%09%0.093CC..Hα-helixtrans-65.7-46.8176.9-65.80000113.4A67 V68 D69 A74 L75 L389 V391 V399A67-S71 WeakPolarHBondContact O-CB 3.43Å; A67-S71 PolarHBondContact O-N 3.2Å; A67-S71 PolarHBondContact O-OG 3.09Å; V68-S71 PolarHBondContact O-N 2.84Å; V68-S71 VanDerWaalsContact O-N 3.11Å; D69-S71 VanDerWaalsContact C-N 3.29Å; D69-S71 PolarHBondContact O-N 3.3Å; S71-A74 PolarHBondContact O-N 3.46Å; S71-L75 WeakPolarHBondContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CG 3.22Å; S71-L75 PolarHBondContact O-N 3.25Å; S71-L389 VanDerWaalsContact CA-CD2 3.41Å; S71-V391 WeakPolarHBondContact OG-CG2 3.35Å; S71-V399 WeakPolarHBondContact OG-CB 3.13Å; S71-V399 VanDerWaalsContact OG-CG1 3.28Å; S71-V399 WeakPolarHBondContact OG-CG1 3.49Å
72I98.9Very high98.3Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-61.9-48.8179.7-66.6167000110.3V68 D69 A74 L75 L76 Y145 H149 L160V68-I72 HydrophobicContact CG1-CD1 3.81Å; V68-I72 HydrophobicContact CG1-CG1 4.38Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 2.85Å; D69-I72 PolarHBondContact O-N 3.08Å; I72-A74 PolarHBondContact O-N 2.98Å; I72-L75 PolarHBondContact O-N 2.74Å; I72-L76 HydrophobicContact CG2-CD1 4.01Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 2.9Å; I72-Y145 WeakPolarHBondContact CD1-O 3.46Å; I72-Y145 HydrophobicContact CG1-CD1 3.87Å; I72-Y145 HydrophobicContact CG1-CG 4.11Å; I72-Y145 HydrophobicContact CG2-CD1 4.42Å; I72-Y145 HydrophobicContact CG2-CD2 4.18Å; I72-Y145 HydrophobicContact CG2-CG 4.02Å; I72-H149 HydrophobicContact CD1-CB 3.81Å; I72-L160 HydrophobicContact CB-CD1 4.06Å; I72-L160 HydrophobicContact CD1-CD1 4.1Å; I72-L160 HydrophobicContact CG2-CB 4.18Å; I72-L160 HydrophobicContact CG2-CD1 3.95Å
73A98.9Very high98.2Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-62.8-41.3179.400000112.5V56 I60 D69 C77 L160V56-A73 HydrophobicContact CG1-CB 3.9Å; I60-A73 HydrophobicContact CD1-CB 4.22Å; I60-A73 HydrophobicContact CG1-CB 3.62Å; D69-A73 PolarHBondContact O-N 3.26Å; D69-A73 VanDerWaalsContact O-N 3.1Å; A73-C77 PolarHBondContact O-N 2.57Å; A73-L160 WeakPolarHBondContact CA-O 3.25Å; A73-L160 HydrophobicContact CB-CB 4.36Å; A73-L160 WeakPolarHBondContact CB-O 3.32Å
74A98.9Very high98.1Very high0 Ų08.7 Ų8.70%05%0.05CC..Hα-helixtrans-65.4-44.2176.400000111.7C53 A70 S71 I72 C77 V78 L389C53-A74 WeakPolarHBondContact O-CB 3.45Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3Å; S71-A74 PolarHBondContact O-N 3.46Å; I72-A74 PolarHBondContact O-N 2.98Å; A74-C77 WeakPolarHBondContact O-CB 3.23Å; A74-C77 PolarHBondContact O-N 3.33Å; A74-C77 VanDerWaalsContact O-N 3.14Å; A74-V78 WeakPolarHBondContact O-CG2 3.5Å; A74-V78 PolarHBondContact O-N 3Å; A74-L389 HydrophobicContact CB-CD1 3.88Å; A74-L389 HydrophobicContact CB-CD2 3.95Å
75L98.8Very high98Very high1 Ų12.8 Ų2.81%0.0052%0.018CC..Hα-helixtrans-66.3-39.3180-69.9165.3000112.4S71 I72 C77 V78 G79 M86 L92 F94 Y145 L389 A401S71-L75 WeakPolarHBondContact O-CB 3.27Å; S71-L75 WeakPolarHBondContact O-CG 3.22Å; S71-L75 PolarHBondContact O-N 3.25Å; I72-L75 PolarHBondContact O-N 2.74Å; L75-C77 PolarHBondContact O-N 3.37Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-V78 VanDerWaalsContact O-N 3.1Å; L75-G79 PolarHBondContact O-N 3.27Å; L75-M86 HydrophobicContact CD2-SD 4.35Å; L75-L92 HydrophobicContact CD1-CD1 4.02Å; L75-F94 HydrophobicContact CD1-CE1 3.92Å; L75-F94 HydrophobicContact CD1-CZ 3.9Å; L75-Y145 HydrophobicContact CB-CE1 4.24Å; L75-Y145 WeakPolarHBondContact CB-OH 3.23Å; L75-Y145 HydrophobicContact CD1-CE1 3.7Å; L75-L389 HydrophobicContact CD2-CB 4.07Å; L75-L389 HydrophobicContact CG-CD2 4.13Å; L75-A401 HydrophobicContact CD1-CB 3.87Å
76L98.9Very high97.9Very high0 Ų02.6 Ų2.60%02%0.016CC..Hα-helixtrans-58-38.7171.1-71.8166.2000111.7I72 I88 Y145 F161 S164 Y222I72-L76 HydrophobicContact CG2-CD1 4.01Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 2.9Å; L76-I88 HydrophobicContact CD2-CG2 3.95Å; L76-Y145 HydrophobicContact CD2-CE2 4.06Å; L76-Y145 HydrophobicContact CG-CE2 4.25Å; L76-F161 HydrophobicContact CD1-CB 4.48Å; L76-F161 HydrophobicContact CD1-CD1 3.64Å; L76-F161 HydrophobicContact CD1-CD2 3.89Å; L76-F161 HydrophobicContact CD1-CE1 3.66Å; L76-F161 HydrophobicContact CD1-CE2 3.88Å; L76-F161 HydrophobicContact CD1-CG 3.75Å; L76-F161 HydrophobicContact CD1-CZ 3.77Å; L76-F161 HydrophobicContact CD2-CD1 4.13Å; L76-F161 HydrophobicContact CD2-CE1 3.69Å; L76-F161 HydrophobicContact CD2-CZ 4.22Å; L76-F161 HydrophobicContact CG-CE1 4.35Å; L76-S164 VanDerWaalsContact C-OG 3.26Å; L76-S164 WeakPolarHBondContact CB-OG 3.08Å; L76-Y222 HydrophobicContact CD2-CD1 4.46Å; L76-Y222 HydrophobicContact CD2-CE1 3.92Å
77C98.8Very high97.9Very high0 Ų02.8 Ų2.80%02%0.019CC..Hα-helixtrans-68.1-42.6174.5169.80000111.4C53 V56 A73 A74 L75 G79 L80 L81 S164 L167C53-C77 WeakPolarHBondContact CA-SG 3.33Å; C53-C77 HydrophobicContact CB-CB 3.66Å; C53-C77 WeakPolarHBondContact CB-SG 3.47Å; C53-C77 WeakPolarHBondContact SG-CB 3.48Å; C53-C77 PolarHBondContact SG-O 3.46Å; C53-C77 VanDerWaalsContact SG-O 3.38Å; C53-C77 CovalentContact SG-SG 2.05Å; C53-C77 PolarHBondContact SG-SG 3.14Å; V56-C77 HydrophobicContact CB-CB 4.48Å; V56-C77 HydrophobicContact CG2-CB 4.26Å; A73-C77 PolarHBondContact O-N 2.57Å; A74-C77 WeakPolarHBondContact O-CB 3.23Å; A74-C77 PolarHBondContact O-N 3.33Å; A74-C77 VanDerWaalsContact O-N 3.14Å; L75-C77 PolarHBondContact O-N 3.37Å; C77-G79 VanDerWaalsContact C-N 3.26Å; C77-G79 PolarHBondContact O-N 2.92Å; C77-L80 WeakPolarHBondContact O-CB 3.15Å; C77-L80 PolarHBondContact O-N 3.38Å; C77-L81 WeakPolarHBondContact O-CD1 3.32Å; C77-L81 PolarHBondContact O-N 3.26Å; C77-S164 WeakPolarHBondContact CA-OG 3.39Å; C77-S164 PolarHBondContact N-OG 2.98Å; C77-L167 HydrophobicContact CB-CD1 4.48Å
78V98.2Very high97.9Very high1 Ų12.8 Ų2.81%0.0062%0.018CC..Hα-helixtrans-64.3-34.7178.8178.50000110.6A48 C53 A74 L75 L80 L81 N82 M86 A387A48-V78 HydrophobicContact CB-CG2 4.24Å; C53-V78 HydrophobicContact CB-CG2 3.53Å; C53-V78 PolarHBondContact SG-N 3.42Å; A74-V78 WeakPolarHBondContact O-CG2 3.5Å; A74-V78 PolarHBondContact O-N 3Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-V78 VanDerWaalsContact O-N 3.1Å; V78-L80 PolarHBondContact O-N 2.9Å; V78-L80 VanDerWaalsContact O-N 3.14Å; V78-L81 PolarHBondContact O-N 3.23Å; V78-N82 HydrophobicContact CG1-CB 4.05Å; V78-N82 CarbonylContact O-C 3.53Å; V78-N82 WeakPolarHBondContact O-CA 3.31Å; V78-N82 WeakPolarHBondContact O-CB 3.45Å; V78-N82 PolarHBondContact O-N 3.26Å; V78-M86 HydrophobicContact CB-SD 3.78Å; V78-M86 HydrophobicContact CG1-CG 3.94Å; V78-M86 HydrophobicContact CG1-SD 3.6Å; V78-A387 HydrophobicContact CG1-CB 3.54Å
79G97.8Very high97.8Very high4 Ų42.8 Ų2.84%0.0412%0.018CC..Hα-helixtrans-58.8-20.7172.100000114.3L75 C77 A83L75-G79 PolarHBondContact O-N 3.27Å; C77-G79 VanDerWaalsContact C-N 3.26Å; C77-G79 PolarHBondContact O-N 2.92Å; G79-A83 WeakPolarHBondContact O-CA 3.14Å; G79-A83 WeakPolarHBondContact O-CB 3.45Å
80L98.1Very high97.8Very high0 Ų02.8 Ų2.80%02%0.018CC..Hα-helixtrans-90.4-54.6171.3-61.2173.3000111.5C77 V78 N82 A83 S164 L167 A168 F172 F215 L218 Y222C77-L80 WeakPolarHBondContact O-CB 3.15Å; C77-L80 PolarHBondContact O-N 3.38Å; V78-L80 PolarHBondContact O-N 2.9Å; V78-L80 VanDerWaalsContact O-N 3.14Å; L80-N82 VanDerWaalsContact C-N 3.27Å; L80-N82 PolarHBondContact O-N 3.09Å; L80-A83 WeakPolarHBondContact O-CB 3.48Å; L80-A83 PolarHBondContact O-N 3.31Å; L80-S164 VanDerWaalsContact CD1-O 3.24Å; L80-S164 WeakPolarHBondContact CD1-O 3.18Å; L80-L167 HydrophobicContact CD1-CB 3.86Å; L80-A168 HydrophobicContact CD1-CB 3.91Å; L80-A168 HydrophobicContact CD2-CB 3.95Å; L80-F172 HydrophobicContact CB-CE1 3.77Å; L80-F172 HydrophobicContact CB-CZ 3.77Å; L80-F172 WeakPolarHBondContact O-CZ 3.26Å; L80-F215 HydrophobicContact CD2-CB 4.24Å; L80-F215 HydrophobicContact CD2-CD2 4Å; L80-F215 HydrophobicContact CD2-CE2 4.49Å; L80-F215 HydrophobicContact CD2-CG 4.02Å; L80-L218 HydrophobicContact CD2-CD2 3.63Å; L80-L218 HydrophobicContact CD2-CG 4.48Å; L80-Y222 HydrophobicContact CD1-CE2 4.29Å; L80-Y222 HydrophobicContact CD2-CE2 4.08Å; L80-Y222 HydrophobicContact CG-CE2 4.2Å
81L97Very high97.8Very high28 Ų282.8 Ų2.815%0.1472%0.018CC..Hα-helixtrans-69.5-28.3-172.7-85.670.3000112.7A50 K52 C77 V78 L167 F172A50-L81 HydrophobicContact CB-CB 3.84Å; A50-L81 HydrophobicContact CB-CD2 3.82Å; A50-L81 HydrophobicContact CB-CG 4.5Å; K52-L81 HydrophobicContact CB-CD2 3.71Å; K52-L81 HydrophobicContact CG-CD2 4.44Å; C77-L81 WeakPolarHBondContact O-CD1 3.32Å; C77-L81 PolarHBondContact O-N 3.26Å; V78-L81 PolarHBondContact O-N 3.23Å; L81-L167 HydrophobicContact CD1-CD1 4.34Å; L81-F172 HydrophobicContact CB-CE2 4.43Å; L81-F172 HydrophobicContact CD1-CD1 4.34Å; L81-F172 HydrophobicContact CD1-CD2 4Å; L81-F172 HydrophobicContact CD1-CE1 4.18Å; L81-F172 HydrophobicContact CD1-CE2 3.83Å; L81-F172 HydrophobicContact CD1-CG 4.25Å; L81-F172 HydrophobicContact CD1-CZ 3.92Å; L81-F172 HydrophobicContact CG-CD2 4Å; L81-F172 HydrophobicContact CG-CE2 3.81Å; L81-F172 HydrophobicContact CG-CZ 4.33Å
82N95.7Very high97.7Very high5 Ų52.8 Ų2.83%0.0272%0.018CC..THydrogen-bonded Turntrans-121.442.9174-69.5-26.4000111D49 V78 L80 H84 S85 M86D49-N82 WeakPolarHBondContact CB-ND2 3.48Å; V78-N82 HydrophobicContact CG1-CB 4.05Å; V78-N82 CarbonylContact O-C 3.53Å; V78-N82 WeakPolarHBondContact O-CA 3.31Å; V78-N82 WeakPolarHBondContact O-CB 3.45Å; V78-N82 PolarHBondContact O-N 3.26Å; L80-N82 VanDerWaalsContact C-N 3.27Å; L80-N82 PolarHBondContact O-N 3.09Å; N82-H84 PolarHBondContact O-N 2.89Å; N82-S85 PolarHBondContact O-N 2.81Å; N82-M86 PolarHBondContact O-N 3.27Å
83A96.7Very high97.7Very high3 Ų32.9 Ų2.93%0.0252%0.019CC..THydrogen-bonded Turntrans-54.9-14.3178.400000115.3G79 L80 F199 F215 I421G79-A83 WeakPolarHBondContact O-CA 3.14Å; G79-A83 WeakPolarHBondContact O-CB 3.45Å; L80-A83 WeakPolarHBondContact O-CB 3.48Å; L80-A83 PolarHBondContact O-N 3.31Å; A83-F199 HydrophobicContact CB-CZ 4.28Å; A83-F215 HydrophobicContact CB-CE1 3.98Å; A83-F215 HydrophobicContact CB-CZ 3.86Å; A83-I421 HydrophobicContact CB-CD1 4.27Å
84H95.4Very high97.7Very high0 Ų02.9 Ų2.90%02%0.019CC..THydrogen-bonded Turntrans-80.3-14.9172.865.2-79000113.3N82 L178 A181 Y408 F409N82-H84 PolarHBondContact O-N 2.89Å; H84-L178 HydrophobicContact CB-CD1 4.06Å; H84-A181 HydrophobicContact CB-CB 3.5Å; H84-A181 VanDerWaalsContact CD2-CB 3.49Å; H84-A181 WeakPolarHBondContact CD2-CB 3.48Å; H84-Y408 AromaticContact CD2-CD1 3.72Å; H84-Y408 AromaticContact CD2-CE1 3.6Å; H84-Y408 CarbonylContact O-C 3.58Å; H84-Y408 WeakPolarHBondContact O-CA 3.23Å; H84-F409 HydrophobicContact CB-CD1 3.93Å; H84-F409 HydrophobicContact CB-CD2 4.2Å; H84-F409 HydrophobicContact CB-CE1 3.64Å; H84-F409 HydrophobicContact CB-CE2 3.91Å; H84-F409 HydrophobicContact CB-CG 4.22Å; H84-F409 HydrophobicContact CB-CZ 3.63Å; H84-F409 PolarHBondContact O-N 3.43Å
85S94.5Very high97.7Very high0 Ų02.9 Ų2.90%02%0.019CC..THydrogen-bonded Turntrans-120.8-25.3-171.4-70.40000114N82 G385 T386 T404 I405N82-S85 PolarHBondContact O-N 2.81Å; S85-G385 CarbonylContact O-C 3.29Å; S85-T386 WeakPolarHBondContact CB-O 3.36Å; S85-T404 WeakPolarHBondContact O-CA 3.07Å; S85-I405 PolarHBondContact O-N 2.85Å; S85-I405 VanDerWaalsContact O-N 3.11Å
86M96.4Very high97.7Very high2 Ų23 Ų31%0.012%0.02CC..  trans-155.9167.6-179.471.1135.7-5900111.7L75 V78 N82 E141 A387 S403L75-M86 HydrophobicContact CD2-SD 4.35Å; V78-M86 HydrophobicContact CB-SD 3.78Å; V78-M86 HydrophobicContact CG1-CG 3.94Å; V78-M86 HydrophobicContact CG1-SD 3.6Å; N82-M86 PolarHBondContact O-N 3.27Å; M86-E141 WeakPolarHBondContact CE-OE1 3.48Å; M86-A387 HydrophobicContact CB-CB 4.28Å; M86-A387 HydrophobicContact CG-CB 3.77Å; M86-A387 HydrophobicContact SD-CB 4.06Å; M86-S403 VanDerWaalsContact CE-OG 3.3Å; M86-S403 WeakPolarHBondContact CE-OG 3.45Å
87G97.7Very high97.7Very high9 Ų94.4 Ų4.49%0.0933%0.025CC..  trans160.5175.6172.700000112.3G89 G90 E141G87-G89 PolarHBondContact O-N 3.21Å; G87-G90 PolarHBondContact O-N 3.41Å; G87-E141 VanDerWaalsContact O-OE2 3.12Å
88I98.6Very high97.7Very high4 Ų45.8 Ų5.82%0.0213%0.032CC..THydrogen-bonded Turntrans-61.9-8.1-175.663.1162.9000114.9L76 G90 I142 L218 T221 Y222 I225 F233 I420L76-I88 HydrophobicContact CD2-CG2 3.95Å; I88-G90 VanDerWaalsContact C-N 3.32Å; I88-I142 HydrophobicContact CB-CD1 4.08Å; I88-I142 HydrophobicContact CB-CG1 4.08Å; I88-I142 HydrophobicContact CG2-CD1 3.55Å; I88-I142 HydrophobicContact CG2-CG1 4.11Å; I88-L218 HydrophobicContact CD1-CD1 3.97Å; I88-L218 HydrophobicContact CG1-CD1 4.32Å; I88-T221 HydrophobicContact CD1-CG2 4.02Å; I88-Y222 HydrophobicContact CD1-CD1 4.06Å; I88-Y222 HydrophobicContact CD1-CE1 3.64Å; I88-Y222 HydrophobicContact CG1-CE1 4.02Å; I88-Y222 HydrophobicContact CG2-CE1 3.84Å; I88-I225 HydrophobicContact CD1-CD1 4Å; I88-F233 HydrophobicContact CB-CE2 4.47Å; I88-F233 HydrophobicContact CD1-CD2 4.42Å; I88-F233 HydrophobicContact CD1-CE2 3.96Å; I88-F233 HydrophobicContact CG1-CE2 4.37Å; I88-F233 VanDerWaalsContact O-CZ 3.31Å; I88-F233 WeakPolarHBondContact O-CZ 3.4Å; I88-I420 HydrophobicContact CD1-CD1 4.04Å; I88-I420 HydrophobicContact CD1-CG1 3.85Å; I88-I420 HydrophobicContact CG1-CG1 4.09Å
89G98.5Very high97.6Very high1 Ų17.3 Ų7.31%0.015%0.045CC..THydrogen-bonded Turntrans-87.37.3170.700000114.4G87 I420 I421 N423G87-G89 PolarHBondContact O-N 3.21Å; G89-I420 VanDerWaalsContact CA-CG2 3.5Å; G89-I421 WeakPolarHBondContact CA-O 3.39Å; G89-N423 WeakPolarHBondContact O-CB 3.46Å; G89-N423 PolarHBondContact O-N 3.04Å; G89-N423 PolarHBondContact O-ND2 3.24Å
90G98.4Very high97.5Very high0 Ų012 Ų120%08%0.077CC..SBendtrans-127.5-144.4176.500000113.3G87 I88 E111 P139 G140 E141 T404G87-G90 PolarHBondContact O-N 3.41Å; I88-G90 VanDerWaalsContact C-N 3.32Å; G90-E111 WeakPolarHBondContact CA-OE1 3.23Å; G90-P139 CarbonylContact O-C 3.57Å; G90-G140 PolarHBondContact O-N 2.86Å; G90-E141 PolarHBondContact O-N 3.29Å; G90-E141 VanDerWaalsContact O-N 3.14Å; G90-T404 WeakPolarHBondContact CA-O 3.44Å
91G98.3Very high97.4Very high0 Ų016.2 Ų16.20%010%0.103CC..EExtended strand (participates in β ladder)trans-147.3171.6-172.900000113.2A109 E111 S403 T404G91-A109 WeakPolarHBondContact CA-O 3.49Å; G91-E111 PolarHBondContact N-OE1 2.63Å; G91-S403 WeakPolarHBondContact O-CA 3.31Å; G91-S403 PolarHBondContact O-OG 2.83Å; G91-T404 PolarHBondContact N-O 2.89Å; G91-T404 VanDerWaalsContact N-O 3.16Å; G91-T404 PolarHBondContact O-N 3.4Å
92L97.9Very high97.3Very high0 Ų017 Ų170%012%0.118CC..EExtended strand (participates in β ladder)trans-155.7163.1-174.476.2169.5000114L75 F94 A109 E141 Y145 T402L75-L92 HydrophobicContact CD1-CD1 4.02Å; L92-F94 HydrophobicContact CD1-CD2 3.93Å; L92-F94 HydrophobicContact CD1-CE1 4.25Å; L92-F94 HydrophobicContact CD1-CE2 3.4Å; L92-F94 VanDerWaalsContact CD1-CE2 3.4Å; L92-F94 HydrophobicContact CD1-CZ 3.58Å; L92-F94 HydrophobicContact CG-CD2 4.34Å; L92-F94 HydrophobicContact CG-CE2 4.18Å; L92-A109 HydrophobicContact CD2-CB 3.6Å; L92-A109 HydrophobicContact CG-CB 4.37Å; L92-A109 PolarHBondContact N-O 3.11Å; L92-A109 VanDerWaalsContact N-O 3.1Å; L92-A109 CarbonylContact O-C 3.57Å; L92-A109 VanDerWaalsContact O-C 3.25Å; L92-A109 WeakPolarHBondContact O-CA 3.31Å; L92-A109 PolarHBondContact O-N 3.44Å; L92-E141 HydrophobicContact CD2-CB 3.93Å; L92-E141 HydrophobicContact CD2-CG 3.9Å; L92-Y145 HydrophobicContact CD1-CD1 4.11Å; L92-Y145 HydrophobicContact CD1-CE1 3.45Å; L92-Y145 VanDerWaalsContact CD1-CE1 3.45Å; L92-T402 VanDerWaalsContact CA-O 3.24Å; L92-T402 WeakPolarHBondContact CA-O 3.31Å; L92-T402 VanDerWaalsContact CB-O 3.28Å; L92-T402 WeakPolarHBondContact CB-O 3.26Å
93Y98.7Very high97.4Very high3 Ų319.9 Ų19.91%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-113.9131.3164.2-68.8-84.6000110.2I107 D108 R110 P282 S286 A401 T402 M458Y93-I107 WeakPolarHBondContact CA-O 3.42Å; Y93-D108 HydrophobicContact CD1-CB 3.95Å; Y93-D108 HydrophobicContact CE1-CB 3.65Å; Y93-D108 VanDerWaalsContact CE1-CG 3.46Å; Y93-D108 VanDerWaalsContact CE1-OD1 3.23Å; Y93-D108 WeakPolarHBondContact CE1-OD1 3.33Å; Y93-R110 HydrophobicContact CE2-CB 4.33Å; Y93-P282 HydrophobicContact CD1-CB 4.31Å; Y93-S286 PolarHBondContact OH-N 3.08Å; Y93-A401 WeakPolarHBondContact O-CA 3.44Å; Y93-T402 PolarHBondContact N-O 2.9Å; Y93-T402 PolarHBondContact O-N 2.69Å; Y93-M458 HydrophobicContact CD2-CB 3.86Å; Y93-M458 HydrophobicContact CD2-CE 3.57Å; Y93-M458 HydrophobicContact CD2-SD 4.14Å; Y93-M458 HydrophobicContact CE2-CB 4.32Å; Y93-M458 HydrophobicContact CE2-CE 3.65Å
94F98.8Very high97.4Very high0 Ų020.3 Ų20.30%014%0.135CC..EExtended strand (participates in β ladder)trans-101.3142.7161.8-75.6-70.9000110.5L75 L92 I96 T106 I107 Y145 A148 V399 A401L75-F94 HydrophobicContact CD1-CE1 3.92Å; L75-F94 HydrophobicContact CD1-CZ 3.9Å; L92-F94 HydrophobicContact CD1-CD2 3.93Å; L92-F94 HydrophobicContact CD1-CE1 4.25Å; L92-F94 HydrophobicContact CD1-CE2 3.4Å; L92-F94 VanDerWaalsContact CD1-CE2 3.4Å; L92-F94 HydrophobicContact CD1-CZ 3.58Å; L92-F94 HydrophobicContact CG-CD2 4.34Å; L92-F94 HydrophobicContact CG-CE2 4.18Å; F94-I96 HydrophobicContact CB-CD1 4.11Å; F94-I96 HydrophobicContact CB-CG1 4Å; F94-I96 HydrophobicContact CG-CD1 4.43Å; F94-T106 CarbonylContact O-C 3.54Å; F94-T106 WeakPolarHBondContact O-CA 3.33Å; F94-T106 WeakPolarHBondContact O-CB 3.13Å; F94-I107 HydrophobicContact CB-CB 4.19Å; F94-I107 HydrophobicContact CD2-CB 4.4Å; F94-I107 PolarHBondContact N-O 3.26Å; F94-I107 PolarHBondContact O-N 3.48Å; F94-Y145 AromaticContact CE2-CD1 3.8Å; F94-Y145 HydrophobicContact CE2-CD1 3.8Å; F94-Y145 HydrophobicContact CE2-CE1 4.15Å; F94-Y145 AromaticContact CZ-CD1 3.71Å; F94-Y145 HydrophobicContact CZ-CD1 3.71Å; F94-Y145 AromaticContact CZ-CE1 3.81Å; F94-Y145 HydrophobicContact CZ-CE1 3.81Å; F94-A148 HydrophobicContact CD2-CB 4.22Å; F94-A148 HydrophobicContact CE2-CB 4.05Å; F94-V399 HydrophobicContact CD1-CG1 3.66Å; F94-V399 HydrophobicContact CE1-CG1 4.03Å; F94-A401 HydrophobicContact CD1-CB 3.51Å; F94-A401 HydrophobicContact CE1-CB 3.52Å
95I98.7Very high97.6Very high0 Ų020.4 Ų20.40%014%0.135CC..EExtended strand (participates in β ladder)trans-119.1128.9151.3-178160.6000108.2V104 E105 T106 H280 V399 A400 P460 I462I95-V104 HydrophobicContact CD1-CG1 3.9Å; I95-V104 HydrophobicContact CG1-CG1 3.81Å; I95-E105 CarbonylContact C-O 3.55Å; I95-E105 WeakPolarHBondContact CA-O 3.48Å; I95-T106 HydrophobicContact CB-CG2 3.85Å; I95-T106 HydrophobicContact CD1-CG2 4.05Å; I95-T106 HydrophobicContact CG1-CG2 3.9Å; I95-H280 VanDerWaalsContact CD1-C 3.48Å; I95-H280 HydrophobicContact CD1-CB 3.61Å; I95-H280 VanDerWaalsContact CD1-O 3.3Å; I95-H280 WeakPolarHBondContact CD1-O 3.11Å; I95-V399 WeakPolarHBondContact O-CA 3.19Å; I95-A400 HydrophobicContact CG2-CB 3.57Å; I95-A400 WeakPolarHBondContact CG2-O 3.29Å; I95-A400 PolarHBondContact N-O 3.31Å; I95-A400 PolarHBondContact O-N 3.27Å; I95-A400 VanDerWaalsContact O-N 3.07Å; I95-P460 HydrophobicContact CG2-CB 3.98Å; I95-P460 HydrophobicContact CG2-CG 4.29Å; I95-I462 HydrophobicContact CD1-CG1 4.49Å; I95-I462 HydrophobicContact CG1-CD1 3.99Å; I95-I462 HydrophobicContact CG1-CG1 4.19Å; I95-I462 HydrophobicContact CG2-CD1 4.16Å; I95-I462 HydrophobicContact CG2-CG1 3.89Å
96I98.9Very high97.8Very high4 Ų420.7 Ų20.72%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-127.4125.8-170.5-55.8170.7000108V68 F94 V104 E105 I107 A148 V399V68-I96 HydrophobicContact CG2-CD1 3.92Å; V68-I96 HydrophobicContact CG2-CG1 4.28Å; V68-I96 HydrophobicContact CG2-CG2 3.97Å; F94-I96 HydrophobicContact CB-CD1 4.11Å; F94-I96 HydrophobicContact CB-CG1 4Å; F94-I96 HydrophobicContact CG-CD1 4.43Å; I96-V104 CarbonylContact O-C 3.5Å; I96-V104 VanDerWaalsContact O-CA 3.32Å; I96-V104 WeakPolarHBondContact O-CA 3.38Å; I96-E105 HydrophobicContact CB-CG 4.11Å; I96-E105 PolarHBondContact N-O 3.4Å; I96-E105 PolarHBondContact O-N 3.11Å; I96-I107 HydrophobicContact CD1-CD1 3.97Å; I96-A148 HydrophobicContact CD1-CB 4.12Å; I96-V399 HydrophobicContact CG1-CG2 4.25Å; I96-V399 HydrophobicContact CG2-CG2 4.21Å
97Y98.8Very high97.9Very high29 Ų2920.6 Ų20.611%0.11414%0.136CC..EExtended strand (participates in β ladder)trans-107.9124.7167.7171.8-113.4000109.9A99 M103 V104 S397 A398 F464 V470Y97-A99 HydrophobicContact CD1-CB 4.46Å; Y97-A99 HydrophobicContact CE1-CB 3.77Å; Y97-M103 WeakPolarHBondContact CA-O 3.17Å; Y97-M103 WeakPolarHBondContact CD2-O 3.35Å; Y97-V104 HydrophobicContact CD2-CG2 3.75Å; Y97-S397 VanDerWaalsContact O-CA 3.31Å; Y97-S397 WeakPolarHBondContact O-CA 3.23Å; Y97-S397 VanDerWaalsContact O-CB 3.3Å; Y97-S397 WeakPolarHBondContact O-CB 3.46Å; Y97-A398 PolarHBondContact N-O 2.77Å; Y97-A398 PolarHBondContact O-N 3.04Å; Y97-F464 AromaticContact CD1-CE1 3.93Å; Y97-F464 HydrophobicContact CD1-CE1 3.93Å; Y97-F464 HydrophobicContact CD1-CZ 4.21Å; Y97-F464 AromaticContact CD2-CE1 3.66Å; Y97-F464 HydrophobicContact CD2-CE1 3.66Å; Y97-F464 AromaticContact CD2-CZ 3.54Å; Y97-F464 HydrophobicContact CD2-CZ 3.54Å; Y97-F464 AromaticContact CE1-CE1 3.91Å; Y97-F464 HydrophobicContact CE1-CE1 3.91Å; Y97-F464 AromaticContact CE2-CE1 3.63Å; Y97-F464 HydrophobicContact CE2-CE1 3.63Å; Y97-F464 AromaticContact CE2-CZ 3.97Å; Y97-F464 HydrophobicContact CE2-CZ 3.97Å; Y97-F464 AromaticContact CG-CE1 3.78Å; Y97-F464 HydrophobicContact CG-CE1 3.78Å; Y97-F464 AromaticContact CG-CZ 3.64Å; Y97-F464 HydrophobicContact CG-CZ 3.64Å; Y97-F464 AromaticContact CZ-CE1 3.76Å; Y97-V470 HydrophobicContact CD1-CG2 3.27Å; Y97-V470 HydrophobicContact CE1-CG2 3.56Å; Y97-V470 HydrophobicContact CG-CG2 4.12Å
98N97.9Very high97.9Very high29 Ų2920.9 Ų20.916%0.15514%0.136CC..EExtended strand (participates in β ladder)trans-102.3107.4175-179.5-40.2000109.6S100 T101 G102 M103 H152N98-S100 PolarHBondContact O-N 2.75Å; N98-S100 PolarHBondContact OD1-N 2.94Å; N98-S100 PolarHBondContact OD1-OG 3.37Å; N98-T101 WeakPolarHBondContact CB-OG1 3.43Å; N98-T101 PolarHBondContact O-N 3.29Å; N98-T101 PolarHBondContact O-OG1 3.46Å; N98-T101 PolarHBondContact OD1-N 2.8Å; N98-T101 PolarHBondContact OD1-OG1 2.76Å; N98-G102 PolarHBondContact O-N 2.63Å; N98-M103 PolarHBondContact N-O 2.93Å; N98-H152 PolarHBondContact ND2-ND1 2.93Å
99A96.9Very high97.9Very high32 Ų3220.7 Ų20.726%0.26414%0.135SC..THydrogen-bonded Turntrans-66.1-24.9-174.500000114.2Y97 T101 D395 S397Y97-A99 HydrophobicContact CD1-CB 4.46Å; Y97-A99 HydrophobicContact CE1-CB 3.77Å; A99-T101 VanDerWaalsContact C-N 3.34Å; A99-D395 WeakPolarHBondContact CB-O 3.44Å; A99-S397 PolarHBondContact N-OG 3.15Å
100S95.2Very high97.9Very high102 Ų10220.7 Ų20.771%0.71313%0.134SC*.THydrogen-bonded Turntrans-73.9-27.3178.870.50000113.1N98N98-S100 PolarHBondContact O-N 2.75Å; N98-S100 PolarHBondContact OD1-N 2.94Å; N98-S100 PolarHBondContact OD1-OG 3.37Å
101T95.8Very high97.9Very high89 Ų8920.7 Ų20.755%0.54613%0.134SC..THydrogen-bonded Turntrans-106.9-19.7-178.760.60000112.9N98 A99 M103N98-T101 WeakPolarHBondContact CB-OG1 3.43Å; N98-T101 PolarHBondContact O-N 3.29Å; N98-T101 PolarHBondContact O-OG1 3.46Å; N98-T101 PolarHBondContact OD1-N 2.8Å; N98-T101 PolarHBondContact OD1-OG1 2.76Å; A99-T101 VanDerWaalsContact C-N 3.34Å; T101-M103 PolarHBondContact O-N 3.22Å; T101-M103 WeakPolarHBondContact OG1-CB 3.41Å; T101-M103 PolarHBondContact OG1-N 2.7Å
102G95.9Very high97.9Very high46 Ų4621.1 Ų21.147%0.47414%0.137SC..THydrogen-bonded Turntrans74.56.8-171.700000113.8N98N98-G102 PolarHBondContact O-N 2.63Å
103M96.6Very high98Very high64 Ų6421.1 Ų21.132%0.31514%0.137SC..EExtended strand (participates in β ladder)trans-85.4139.5-175.4-167.9174.170.300111.6Y97 N98 T101 E105Y97-M103 WeakPolarHBondContact CA-O 3.17Å; Y97-M103 WeakPolarHBondContact CD2-O 3.35Å; N98-M103 PolarHBondContact N-O 2.93Å; T101-M103 PolarHBondContact O-N 3.22Å; T101-M103 WeakPolarHBondContact OG1-CB 3.41Å; T101-M103 PolarHBondContact OG1-N 2.7Å; M103-E105 VanDerWaalsContact CE-OE2 3.23Å; M103-E105 WeakPolarHBondContact CE-OE2 3.49Å
104V98.4Very high98Very high13 Ų1321 Ų218%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-113.2129.5168.7-170.50000108.1I95 I96 Y97 P269 H280 F464I95-V104 HydrophobicContact CD1-CG1 3.9Å; I95-V104 HydrophobicContact CG1-CG1 3.81Å; I96-V104 CarbonylContact O-C 3.5Å; I96-V104 VanDerWaalsContact O-CA 3.32Å; I96-V104 WeakPolarHBondContact O-CA 3.38Å; Y97-V104 HydrophobicContact CD2-CG2 3.75Å; V104-P269 HydrophobicContact CB-CG 4.15Å; V104-P269 HydrophobicContact CG1-CG 3.83Å; V104-P269 WeakPolarHBondContact O-CD 3.49Å; V104-H280 HydrophobicContact CG1-CB 3.89Å; V104-F464 HydrophobicContact CG2-CE2 3.91Å; V104-F464 HydrophobicContact CG2-CZ 3.69Å
105E98.4Very high97.9Very high1 Ų125.8 Ų25.81%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-135161.3176.565.6179.6-147.500111.1I95 I96 M103 R151 H152 L265 N266I95-E105 CarbonylContact C-O 3.55Å; I95-E105 WeakPolarHBondContact CA-O 3.48Å; I96-E105 HydrophobicContact CB-CG 4.11Å; I96-E105 PolarHBondContact N-O 3.4Å; I96-E105 PolarHBondContact O-N 3.11Å; M103-E105 VanDerWaalsContact CE-OE2 3.23Å; M103-E105 WeakPolarHBondContact CE-OE2 3.49Å; E105-R151 IonicContact OE1-CZ 3.29Å; E105-R151 IonicContact OE1-NE 3.05Å; E105-R151 PolarHBondContact OE1-NE 3.45Å; E105-R151 IonicContact OE1-NH2 2.72Å; E105-R151 IonicContact OE2-CZ 3.59Å; E105-R151 VanDerWaalsContact OE2-CZ 3.29Å; E105-R151 IonicContact OE2-NE 3.97Å; E105-R151 PolarHBondContact OE2-NE 3.2Å; E105-R151 VanDerWaalsContact OE2-NE 3.09Å; E105-R151 IonicContact OE2-NH2 2.96Å; E105-R151 PolarHBondContact OE2-NH2 3.43Å; E105-H152 IonicContact OE1-CD2 2.78Å; E105-H152 IonicContact OE1-CE1 3.42Å; E105-H152 IonicContact OE1-NE2 3.45Å; E105-H152 PolarHBondContact OE1-NE2 3.19Å; E105-H152 IonicContact OE2-NE2 3.03Å; E105-L265 HydrophobicContact CB-CD1 4.29Å; E105-L265 HydrophobicContact CG-CD1 4.41Å; E105-N266 CarbonylContact C-O 3.54Å; E105-N266 WeakPolarHBondContact CA-O 3.42Å
106T98.7Very high97.9Very high7 Ų730.5 Ų30.54%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-124.4142.7172.255.40000111.3F94 I95 N266 P269 P282F94-T106 CarbonylContact O-C 3.54Å; F94-T106 WeakPolarHBondContact O-CA 3.33Å; F94-T106 WeakPolarHBondContact O-CB 3.13Å; I95-T106 HydrophobicContact CB-CG2 3.85Å; I95-T106 HydrophobicContact CD1-CG2 4.05Å; I95-T106 HydrophobicContact CG1-CG2 3.9Å; T106-N266 PolarHBondContact N-O 3.23Å; T106-N266 PolarHBondContact O-N 3.06Å; T106-P269 HydrophobicContact CG2-CB 3.62Å; T106-P269 HydrophobicContact CG2-CG 4.36Å; T106-P282 HydrophobicContact CG2-CB 4.09Å; T106-P282 HydrophobicContact CG2-CG 3.97Å
107I98.8Very high97.9Very high0 Ų030.5 Ų30.50%019%0.186CC..EExtended strand (participates in β ladder)trans-115.2113.2170.8-60.6169.3000107.2Y93 F94 I96 A109 M147 A148 P263 V264 L265Y93-I107 WeakPolarHBondContact CA-O 3.42Å; F94-I107 HydrophobicContact CB-CB 4.19Å; F94-I107 HydrophobicContact CD2-CB 4.4Å; F94-I107 PolarHBondContact N-O 3.26Å; F94-I107 PolarHBondContact O-N 3.48Å; I96-I107 HydrophobicContact CD1-CD1 3.97Å; I107-A109 HydrophobicContact CG2-CB 4.5Å; I107-M147 HydrophobicContact CD1-CB 4.28Å; I107-M147 HydrophobicContact CD1-CG 3.95Å; I107-M147 HydrophobicContact CD1-SD 4.22Å; I107-M147 HydrophobicContact CG1-CG 4.46Å; I107-M147 HydrophobicContact CG1-SD 4.08Å; I107-M147 HydrophobicContact CG2-SD 3.86Å; I107-A148 HydrophobicContact CD1-CB 3.78Å; I107-P263 HydrophobicContact CG2-CB 3.78Å; I107-V264 WeakPolarHBondContact CA-O 3.46Å; I107-L265 HydrophobicContact CG1-CD1 4.03Å
108D98.6Very high97.8Very high14 Ų1432.3 Ų32.38%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-87.798.1170169.518.8000108.9Y93 R110 P263 V264 R453Y93-D108 HydrophobicContact CD1-CB 3.95Å; Y93-D108 HydrophobicContact CE1-CB 3.65Å; Y93-D108 VanDerWaalsContact CE1-CG 3.46Å; Y93-D108 VanDerWaalsContact CE1-OD1 3.23Å; Y93-D108 WeakPolarHBondContact CE1-OD1 3.33Å; D108-R110 WeakPolarHBondContact OD1-CB 3.33Å; D108-R110 PolarHBondContact OD1-N 2.94Å; D108-P263 CarbonylContact O-C 3.49Å; D108-P263 VanDerWaalsContact O-CA 3.22Å; D108-P263 WeakPolarHBondContact O-CA 3.4Å; D108-P263 WeakPolarHBondContact O-CB 3.33Å; D108-V264 HydrophobicContact CB-CB 4.21Å; D108-V264 PolarHBondContact N-O 2.86Å; D108-V264 PolarHBondContact O-N 3.3Å; D108-R453 IonicContact OD1-NE 3.9Å; D108-R453 WeakPolarHBondContact OD2-CD 3.41Å; D108-R453 IonicContact OD2-CZ 3.73Å; D108-R453 IonicContact OD2-NE 2.73Å; D108-R453 PolarHBondContact OD2-NE 3.49Å; D108-R453 IonicContact OD2-NH1 3.71Å; D108-R453 PolarHBondContact OD2-NH1 3.04Å
109A98.5Very high97.7Very high0 Ų035 Ų350%021%0.212CC..EExtended strand (participates in β ladder)trans-107.136.5171.300000110.4G91 L92 I107 Y261 P263G91-A109 WeakPolarHBondContact CA-O 3.49Å; L92-A109 HydrophobicContact CD2-CB 3.6Å; L92-A109 HydrophobicContact CG-CB 4.37Å; L92-A109 PolarHBondContact N-O 3.11Å; L92-A109 VanDerWaalsContact N-O 3.1Å; L92-A109 CarbonylContact O-C 3.57Å; L92-A109 VanDerWaalsContact O-C 3.25Å; L92-A109 WeakPolarHBondContact O-CA 3.31Å; L92-A109 PolarHBondContact O-N 3.44Å; I107-A109 HydrophobicContact CG2-CB 4.5Å; A109-Y261 VanDerWaalsContact CA-OH 3.31Å; A109-Y261 WeakPolarHBondContact CA-OH 3.43Å; A109-Y261 PolarHBondContact O-OH 3.27Å; A109-P263 HydrophobicContact CB-CB 4.04Å; A109-P263 HydrophobicContact CB-CG 4.2Å
110R98.1Very high97.6Very high1 Ų137.2 Ų37.20%0.00422%0.219CC..  trans-64.7145.4169.4-170.865.2167.7159.5-11.7110.3Y93 D108 Y261 E425 D428 R453 S456Y93-R110 HydrophobicContact CE2-CB 4.33Å; D108-R110 WeakPolarHBondContact OD1-CB 3.33Å; D108-R110 PolarHBondContact OD1-N 2.94Å; R110-Y261 PolarHBondContact O-OH 3.38Å; R110-E425 IonicContact CZ-OE1 3.72Å; R110-E425 IonicContact CZ-OE2 2.72Å; R110-E425 IonicContact NH1-OE1 2.65Å; R110-E425 PolarHBondContact NH1-OE1 3.15Å; R110-E425 VanDerWaalsContact NH1-OE1 3.1Å; R110-E425 IonicContact NH1-OE2 2.78Å; R110-E425 PolarHBondContact NH1-OE2 2.85Å; R110-E425 IonicContact NH2-OE1 3.3Å; R110-E425 PolarHBondContact NH2-OE1 2.79Å; R110-E425 IonicContact NH2-OE2 3.47Å; R110-D428 IonicContact NH2-OD2 2.87Å; R110-D428 PolarHBondContact NH2-OD2 3.02Å; R110-R453 HydrophobicContact CB-CG 4.2Å; R110-R453 HydrophobicContact CG-CB 4.26Å; R110-R453 HydrophobicContact CG-CG 4.3Å; R110-R453 PolarHBondContact O-NE 3.35Å; R110-S456 PolarHBondContact NH2-OG 3.38Å
111E98.7Very high97.5Very high0 Ų033.8 Ų33.80%019%0.192CC..  trans-61.5147.6176.8-55.494.6142.600111.6G90 G91 A137 I138 E425 R453 P454G90-E111 WeakPolarHBondContact CA-OE1 3.23Å; G91-E111 PolarHBondContact N-OE1 2.63Å; E111-A137 HydrophobicContact CB-CB 3.49Å; E111-A137 VanDerWaalsContact CB-CB 3.49Å; E111-A137 HydrophobicContact CG-CB 4.39Å; E111-I138 VanDerWaalsContact CA-O 3.23Å; E111-I138 WeakPolarHBondContact CA-O 3.5Å; E111-I138 VanDerWaalsContact CB-O 3.27Å; E111-I138 WeakPolarHBondContact CB-O 3.44Å; E111-I138 WeakPolarHBondContact CG-O 3.38Å; E111-E425 HydrophobicContact CB-CB 4.09Å; E111-E425 HydrophobicContact CB-CG 4.22Å; E111-E425 HydrophobicContact CG-CB 4.22Å; E111-E425 HydrophobicContact CG-CG 4.39Å; E111-E425 WeakPolarHBondContact OE2-CG 3.28Å; E111-R453 WeakPolarHBondContact O-CG 3.46Å; E111-P454 VanDerWaalsContact O-CD 3.28Å; E111-P454 WeakPolarHBondContact O-CD 3.45Å
112T98.6Very high97.4Very high10 Ų1029.8 Ų29.86%0.06117%0.167CC..BIsolated β-bridgetrans-112.4145.8177.550.40000110.8I138 Y261 G451 K452 R453T112-I138 WeakPolarHBondContact O-CG1 3.43Å; T112-I138 PolarHBondContact O-N 3.19Å; T112-I138 WeakPolarHBondContact OG1-CD1 3.42Å; T112-Y261 HydrophobicContact CG2-CD2 4.34Å; T112-Y261 HydrophobicContact CG2-CE2 4.01Å; T112-Y261 WeakPolarHBondContact OG1-CD2 3.31Å; T112-G451 WeakPolarHBondContact CG2-O 2.88Å; T112-K452 CarbonylContact C-O 3.58Å; T112-K452 WeakPolarHBondContact CA-O 3.4Å; T112-R453 HydrophobicContact CG2-CG 3.7Å
113A98.6Very high97.1Very high0 Ų028.8 Ų28.80%016%0.157CC..  trans-58133.5169.800000110A117 M426 F429 I448 Q449 G451 K452A113-A117 HydrophobicContact CB-CB 4.13Å; A113-M426 HydrophobicContact CB-CE 3.91Å; A113-M426 HydrophobicContact CB-SD 3.93Å; A113-F429 HydrophobicContact CB-CE2 3.84Å; A113-F429 HydrophobicContact CB-CZ 4Å; A113-I448 HydrophobicContact CB-CG2 4.34Å; A113-Q449 WeakPolarHBondContact CB-O 3.27Å; A113-G451 WeakPolarHBondContact O-CA 3.39Å; A113-G451 PolarHBondContact O-N 2.96Å; A113-K452 PolarHBondContact N-O 3.27Å
114P98.5Very high96.6Very high1 Ų132.2 Ų32.21%0.00618%0.177CC..  trans-57.2153.1175.5-23.334.2000111.7N116 A117 I138 I252 I253P114-N116 PolarHBondContact O-N 3.17Å; P114-N116 VanDerWaalsContact O-N 3.16Å; P114-A117 WeakPolarHBondContact O-CB 3.47Å; P114-A117 PolarHBondContact O-N 2.86Å; P114-I138 HydrophobicContact CG-CG1 4.43Å; P114-I252 HydrophobicContact CB-CD1 4.22Å; P114-I252 HydrophobicContact CB-CG1 4.07Å; P114-I252 HydrophobicContact CG-CD1 4.37Å; P114-I252 HydrophobicContact CG-CG1 4.05Å; P114-I253 HydrophobicContact CB-CG1 4.04Å; P114-I253 HydrophobicContact CG-CD1 4.3Å; P114-I253 HydrophobicContact CG-CG1 3.46Å; P114-I253 VanDerWaalsContact CG-CG1 3.46Å
115M98.4Very high96Very high99 Ų9934.9 Ų34.949%0.48819%0.19SC..THydrogen-bonded Turntrans-63.8-24.1-178.8-71.1-53.6-61.700113.2A117 D257 P450M115-A117 VanDerWaalsContact C-N 3.31Å; M115-D257 WeakPolarHBondContact CB-OD1 3.23Å; M115-D257 VanDerWaalsContact CG-OD1 3.28Å; M115-D257 WeakPolarHBondContact CG-OD1 3.24Å; M115-D257 PolarHBondContact N-OD1 3.5Å; M115-P450 HydrophobicContact CE-CB 3.8Å; M115-P450 WeakPolarHBondContact O-CG 3.27Å; M115-P450 HydrophobicContact SD-CB 3.96Å
116N98.1Very high95.3Very high100 Ų10038 Ų3854%0.53521%0.209SC..THydrogen-bonded Turntrans-83.20.3173.6-72.2-25000114.2P114 I252 T254P114-N116 PolarHBondContact O-N 3.17Å; P114-N116 VanDerWaalsContact O-N 3.16Å; N116-I252 HydrophobicContact CB-CB 4.25Å; N116-I252 HydrophobicContact CB-CD1 4.22Å; N116-T254 WeakPolarHBondContact ND2-CG2 3.42Å
117A97.9Very high94.9Very high3 Ų344.3 Ų44.33%0.02524%0.236CC..  trans-69.1143.6179.900000111.3A113 P114 M115 M121 I252 M426 I448 P450A113-A117 HydrophobicContact CB-CB 4.13Å; P114-A117 WeakPolarHBondContact O-CB 3.47Å; P114-A117 PolarHBondContact O-N 2.86Å; M115-A117 VanDerWaalsContact C-N 3.31Å; A117-M121 HydrophobicContact CB-SD 3.77Å; A117-I252 HydrophobicContact CB-CD1 4.06Å; A117-M426 HydrophobicContact CB-CE 4.02Å; A117-I448 HydrophobicContact CB-CG2 3.83Å; A117-P450 WeakPolarHBondContact O-CG 3.4Å
118T97Very high94.6Very high67 Ų6747.5 Ų47.541%0.41125%0.253SS..  trans-120.5153.9173.670.90000110.4D120 M121T118-D120 WeakPolarHBondContact CB-OD1 3.12Å; T118-D120 PolarHBondContact O-N 2.83Å; T118-D120 VanDerWaalsContact O-N 3.14Å; T118-D120 PolarHBondContact OG1-OD1 2.89Å; T118-M121 VanDerWaalsContact O-CG 3.26Å; T118-M121 WeakPolarHBondContact O-CG 3.23Å; T118-M121 PolarHBondContact O-N 2.99Å; T118-M121 PolarHBondContact OG1-N 2.92Å
119E96Very high94.2Very high86 Ų8647 Ų4740%0.40225%0.251SS..THydrogen-bonded Turntrans-53.2-35.4179.7-173.4172.6112.600112.6P432 F447 I448E119-P432 HydrophobicContact CG-CG 4.17Å; E119-P432 VanDerWaalsContact O-CD 3.24Å; E119-P432 WeakPolarHBondContact O-CD 3.44Å; E119-F447 HydrophobicContact CG-CB 4.06Å; E119-F447 HydrophobicContact CG-CD2 4.14Å; E119-F447 HydrophobicContact CG-CG 4.25Å; E119-I448 WeakPolarHBondContact CA-O 3.38Å
120D94.1Very high93.9Very high78 Ų7851.7 Ų51.742%0.41727%0.268SS..THydrogen-bonded Turntrans-105.710.2-17361.8-15.1000115.2T118 F122 G123 Y433T118-D120 WeakPolarHBondContact CB-OD1 3.12Å; T118-D120 PolarHBondContact O-N 2.83Å; T118-D120 VanDerWaalsContact O-N 3.14Å; T118-D120 PolarHBondContact OG1-OD1 2.89Å; D120-F122 PolarHBondContact O-N 3.36Å; D120-G123 PolarHBondContact O-N 3.35Å; D120-Y433 HydrophobicContact CB-CD2 4.33Å; D120-Y433 HydrophobicContact CB-CE2 3.63Å
121M94.7Very high93.7Very high31 Ų3153.9 Ų53.915%0.15328%0.282CS..THydrogen-bonded Turntrans-56.9-20.6-171.463.8-170.5-71.500115.1A117 T118 L134 I252 M426 I448A117-M121 HydrophobicContact CB-SD 3.77Å; T118-M121 VanDerWaalsContact O-CG 3.26Å; T118-M121 WeakPolarHBondContact O-CG 3.23Å; T118-M121 PolarHBondContact O-N 2.99Å; T118-M121 PolarHBondContact OG1-N 2.92Å; M121-L134 HydrophobicContact CE-CD1 3.35Å; M121-L134 HydrophobicContact CE-CD2 4.37Å; M121-L134 HydrophobicContact CE-CG 3.61Å; M121-I252 HydrophobicContact CE-CD1 3.54Å; M121-I252 HydrophobicContact CE-CG1 4.37Å; M121-I252 HydrophobicContact SD-CD1 4.44Å; M121-M426 HydrophobicContact CE-CE 4.32Å; M121-M426 HydrophobicContact SD-CE 3.72Å; M121-I448 HydrophobicContact CG-CD1 3.88Å; M121-I448 HydrophobicContact SD-CD1 4.05Å; M121-I448 HydrophobicContact SD-CG2 4.16Å
122F93.8Very high93.6Very high5 Ų555.1 Ų55.12%0.02230%0.295CS..THydrogen-bonded Turntrans-96-10.1177.4-59.4-48.2000114.6D120 N124 N125 L128 L134 M426 I448D120-F122 PolarHBondContact O-N 3.36Å; F122-N124 PolarHBondContact O-N 2.94Å; F122-N125 PolarHBondContact O-N 3.34Å; F122-L128 HydrophobicContact CD1-CB 3.64Å; F122-L128 HydrophobicContact CE1-CB 4.3Å; F122-L128 VanDerWaalsContact CE1-O 3.25Å; F122-L128 WeakPolarHBondContact CE1-O 3.23Å; F122-L134 HydrophobicContact CD1-CD2 4.09Å; F122-L134 HydrophobicContact CD1-CG 4.47Å; F122-L134 HydrophobicContact CE1-CB 4.49Å; F122-L134 HydrophobicContact CE1-CD2 3.98Å; F122-L134 HydrophobicContact CE1-CG 3.87Å; F122-M426 HydrophobicContact CE2-CB 3.99Å; F122-M426 HydrophobicContact CZ-CB 3.65Å; F122-I448 HydrophobicContact CD2-CD1 3.63Å; F122-I448 HydrophobicContact CE2-CD1 3.47Å; F122-I448 VanDerWaalsContact CE2-CD1 3.47Å
123G89.6Confident93.5Very high25 Ų2554.7 Ų54.726%0.25829%0.292SS..THydrogen-bonded Turntrans50.3-131.1-172.900000111.2D120 S431D120-G123 PolarHBondContact O-N 3.35Å; G123-S431 PolarHBondContact O-OG 3.04Å
124N85.3Confident93.4Very high136 Ų13656.5 Ų56.573%0.72730%0.302SS*.THydrogen-bonded Turntrans-96.514.3174.966.6-6.2000113.7F122F122-N124 PolarHBondContact O-N 2.94Å
125N86.4Confident93.4Very high68 Ų6856.5 Ų56.536%0.36430%0.301SS..  trans-107.593.5-170.8-171.3-6.4000112.2F122 K127 L128F122-N125 PolarHBondContact O-N 3.34Å; N125-K127 PolarHBondContact O-N 2.93Å; N125-K127 VanDerWaalsContact OD1-CB 3.23Å; N125-K127 WeakPolarHBondContact OD1-CB 2.97Å; N125-K127 PolarHBondContact OD1-N 3.3Å; N125-L128 HydrophobicContact CB-CD1 4.02Å; N125-L128 HydrophobicContact CB-CG 4.12Å; N125-L128 PolarHBondContact O-N 2.81Å
126T83.6Confident93.4Very high66 Ų6651.8 Ų51.841%0.40528%0.278SS..Hα-helixtrans-57.7-17.6175.858.90000114.2S129 R130 M434T126-S129 PolarHBondContact O-OG 3.25Å; T126-R130 WeakPolarHBondContact O-CG 3.43Å; T126-M434 HydrophobicContact CG2-CE 3.23Å; T126-M434 HydrophobicContact CG2-CG 4.36Å; T126-M434 HydrophobicContact CG2-SD 3.85Å
127K89.4Confident93.4Very high141 Ų14147 Ų4761%0.61325%0.253SS*.Hα-helixtrans-74.7-31.7177.9-171.9177.3176.6-174.50111.8N125 S129 R130 T131N125-K127 PolarHBondContact O-N 2.93Å; N125-K127 VanDerWaalsContact OD1-CB 3.23Å; N125-K127 WeakPolarHBondContact OD1-CB 2.97Å; N125-K127 PolarHBondContact OD1-N 3.3Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 3.15Å; K127-R130 PolarHBondContact O-N 3.31Å; K127-T131 WeakPolarHBondContact CG-OG1 3.05Å; K127-T131 PolarHBondContact O-N 3.42Å; K127-T131 PolarHBondContact O-OG1 3.5Å
128L92.1Very high93.5Very high67 Ų6747.1 Ų47.135%0.35125%0.253SS..Hα-helixtrans-70-28.2179.5-66.5177.8000112.1F122 N125 R130 L134F122-L128 HydrophobicContact CD1-CB 3.64Å; F122-L128 HydrophobicContact CE1-CB 4.3Å; F122-L128 VanDerWaalsContact CE1-O 3.25Å; F122-L128 WeakPolarHBondContact CE1-O 3.23Å; N125-L128 HydrophobicContact CB-CD1 4.02Å; N125-L128 HydrophobicContact CB-CG 4.12Å; N125-L128 PolarHBondContact O-N 2.81Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-L134 HydrophobicContact CB-CD2 4.41Å
129S90.4Very high93.6Very high3 Ų344 Ų442%0.02123%0.233CC..Hα-helixtrans-78-16.7175.765.90000113.3T126 K127 S135 D427T126-S129 PolarHBondContact O-OG 3.25Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 3.15Å; S129-S135 VanDerWaalsContact C-CB 3.43Å; S129-S135 WeakPolarHBondContact O-CB 3.3Å; S129-D427 WeakPolarHBondContact CB-OD1 3.18Å; S129-D427 VanDerWaalsContact O-CB 3.27Å; S129-D427 WeakPolarHBondContact O-CB 3.42Å; S129-D427 PolarHBondContact O-N 3.31Å; S129-D427 PolarHBondContact OG-OD1 3.37Å
130R92.2Very high93.7Very high99 Ų9939.9 Ų39.937%0.37421%0.214SC..Hα-helixtrans-111.5-18.5-173.1-66.5179.1175.4173.9-3115.5T126 K127 L128 L407 D424 D427T126-R130 WeakPolarHBondContact O-CG 3.43Å; K127-R130 PolarHBondContact O-N 3.31Å; L128-R130 VanDerWaalsContact C-N 3.32Å; R130-L407 HydrophobicContact CB-CD1 3.91Å; R130-L407 HydrophobicContact CG-CD1 3.77Å; R130-D424 WeakPolarHBondContact CA-OD2 3.4Å; R130-D424 VanDerWaalsContact O-OD2 3.04Å; R130-D427 HydrophobicContact CG-CB 4.29Å; R130-D427 WeakPolarHBondContact CG-OD1 3.26Å; R130-D427 WeakPolarHBondContact CG-OD2 3.3Å; R130-D427 IonicContact NE-OD1 3.06Å; R130-D427 PolarHBondContact NE-OD1 2.87Å; R130-D427 IonicContact NE-OD2 2.96Å; R130-D427 PolarHBondContact NE-OD2 2.72Å
131T94.4Very high93.9Very high47 Ų4736.1 Ų36.129%0.28819%0.194SC..SBendtrans-145.4146.1-17260.50000111.9K127 S411 K412K127-T131 WeakPolarHBondContact CG-OG1 3.05Å; K127-T131 PolarHBondContact O-N 3.42Å; K127-T131 PolarHBondContact O-OG1 3.5Å; T131-S411 WeakPolarHBondContact CA-O 3.19Å; T131-K412 HydrophobicContact CG2-CG 3.98Å
132G95.9Very high94.1Very high26 Ų2634.7 Ų34.727%0.26819%0.187SC..SBendtrans85.9178179.500000113.2L134 S135 S411G132-L134 PolarHBondContact O-N 3.11Å; G132-S135 PolarHBondContact O-N 2.94Å; G132-S135 PolarHBondContact O-OG 2.96Å; G132-S411 PolarHBondContact N-O 3.47Å; G132-S411 WeakPolarHBondContact O-CB 3.49Å
133G97.1Very high94.3Very high1 Ų135.3 Ų35.31%0.0119%0.19CC..G310 helixtrans-65.9-25.6-173.300000114.3S135 I136 A249 G251G133-S135 VanDerWaalsContact C-N 3.25Å; G133-S135 PolarHBondContact O-N 3.1Å; G133-I136 WeakPolarHBondContact O-CB 3.27Å; G133-I136 PolarHBondContact O-N 2.84Å; G133-A249 WeakPolarHBondContact CA-O 3.16Å; G133-A249 PolarHBondContact N-O 3.28Å; G133-G251 WeakPolarHBondContact O-CA 3.36Å
134L97.4Very high94.8Very high38 Ų3834.1 Ų34.120%0.19918%0.177CC..G310 helixtrans-68.6-23.9-178.8-164.166.3000112.8M121 F122 L128 G132 I136 I252M121-L134 HydrophobicContact CE-CD1 3.35Å; M121-L134 HydrophobicContact CE-CD2 4.37Å; M121-L134 HydrophobicContact CE-CG 3.61Å; F122-L134 HydrophobicContact CD1-CD2 4.09Å; F122-L134 HydrophobicContact CD1-CG 4.47Å; F122-L134 HydrophobicContact CE1-CB 4.49Å; F122-L134 HydrophobicContact CE1-CD2 3.98Å; F122-L134 HydrophobicContact CE1-CG 3.87Å; L128-L134 HydrophobicContact CB-CD2 4.41Å; G132-L134 PolarHBondContact O-N 3.11Å; L134-I136 VanDerWaalsContact C-N 3.3Å; L134-I252 HydrophobicContact CD1-CD1 4.4Å; L134-I252 HydrophobicContact CD1-CG1 4.32Å; L134-I252 HydrophobicContact CD1-CG2 3.77Å
135S97.6Very high95.4Very high0 Ų027.7 Ų27.70%014%0.143CC..G310 helixtrans-81.3-9.9176.265.60000113.6S129 G132 G133 A137 S411 D424 E425 M426S129-S135 VanDerWaalsContact C-CB 3.43Å; S129-S135 WeakPolarHBondContact O-CB 3.3Å; G132-S135 PolarHBondContact O-N 2.94Å; G132-S135 PolarHBondContact O-OG 2.96Å; G133-S135 VanDerWaalsContact C-N 3.25Å; G133-S135 PolarHBondContact O-N 3.1Å; S135-A137 PolarHBondContact O-N 3.43Å; S135-S411 VanDerWaalsContact OG-CB 3.27Å; S135-S411 WeakPolarHBondContact OG-CB 3.27Å; S135-D424 CarbonylContact O-C 3.56Å; S135-D424 VanDerWaalsContact O-C 3.29Å; S135-D424 VanDerWaalsContact O-CA 3.25Å; S135-D424 WeakPolarHBondContact O-CA 3.25Å; S135-D424 WeakPolarHBondContact OG-CB 3.46Å; S135-E425 PolarHBondContact O-N 3.14Å; S135-M426 VanDerWaalsContact O-CB 3.29Å; S135-M426 WeakPolarHBondContact O-CB 3.36Å; S135-M426 VanDerWaalsContact O-CG 3.28Å; S135-M426 WeakPolarHBondContact O-CG 3.44Å; S135-M426 PolarHBondContact O-N 3.28Å
136I98.7Very high96Very high1 Ų125.2 Ų25.21%0.00513%0.129CC..PPolyproline II helixtrans-78.5121.4-175.2-55173.5000109.7G133 L134 I246 I253 V413 F422 N423G133-I136 WeakPolarHBondContact O-CB 3.27Å; G133-I136 PolarHBondContact O-N 2.84Å; L134-I136 VanDerWaalsContact C-N 3.3Å; I136-I246 HydrophobicContact CD1-CG1 4.1Å; I136-I246 HydrophobicContact CD1-CG2 4.16Å; I136-I246 HydrophobicContact CG2-CD1 4.35Å; I136-I253 HydrophobicContact CB-CD1 4.3Å; I136-I253 HydrophobicContact CG2-CD1 3.72Å; I136-V413 HydrophobicContact CD1-CB 4.25Å; I136-V413 HydrophobicContact CD1-CG1 4.48Å; I136-V413 HydrophobicContact CD1-CG2 4.39Å; I136-F422 HydrophobicContact CD1-CB 3.54Å; I136-F422 HydrophobicContact CD1-CD2 3.9Å; I136-F422 HydrophobicContact CD1-CG 3.88Å; I136-F422 HydrophobicContact CG1-CB 3.85Å; I136-F422 HydrophobicContact CG2-CB 3.93Å; I136-F422 HydrophobicContact CG2-CD1 4.49Å; I136-F422 HydrophobicContact CG2-CG 4.36Å; I136-N423 WeakPolarHBondContact CA-O 3.32Å; I136-N423 WeakPolarHBondContact CG1-O 3.32Å
137A98.7Very high96.7Very high0 Ų024 Ų240%012%0.119CC..PPolyproline II helixtrans-92.5163166.300000110.5E111 S135 P139 N423 E425 M426E111-A137 HydrophobicContact CB-CB 3.49Å; E111-A137 VanDerWaalsContact CB-CB 3.49Å; E111-A137 HydrophobicContact CG-CB 4.39Å; S135-A137 PolarHBondContact O-N 3.43Å; A137-P139 VanDerWaalsContact O-CD 3.23Å; A137-P139 WeakPolarHBondContact O-CD 3.28Å; A137-N423 PolarHBondContact N-OD1 2.98Å; A137-N423 PolarHBondContact O-ND2 2.97Å; A137-E425 HydrophobicContact CB-CB 3.88Å; A137-M426 HydrophobicContact CB-CG 4.01Å; A137-M426 HydrophobicContact CB-SD 3.88Å
138I98.8Very high97.2Very high5 Ų517.2 Ų17.23%0.0269%0.09CC..BIsolated β-bridgetrans-64.6117.3-174.4-59.5161.8000110.2E111 T112 P114 G140 I253 D257 L258 Y261E111-I138 VanDerWaalsContact CA-O 3.23Å; E111-I138 WeakPolarHBondContact CA-O 3.5Å; E111-I138 VanDerWaalsContact CB-O 3.27Å; E111-I138 WeakPolarHBondContact CB-O 3.44Å; E111-I138 WeakPolarHBondContact CG-O 3.38Å; T112-I138 WeakPolarHBondContact O-CG1 3.43Å; T112-I138 PolarHBondContact O-N 3.19Å; T112-I138 WeakPolarHBondContact OG1-CD1 3.42Å; P114-I138 HydrophobicContact CG-CG1 4.43Å; I138-G140 PolarHBondContact O-N 2.87Å; I138-I253 HydrophobicContact CG1-CD1 4.33Å; I138-I253 HydrophobicContact CG1-CG1 4.23Å; I138-D257 HydrophobicContact CD1-CB 3.66Å; I138-D257 HydrophobicContact CG1-CB 4.05Å; I138-L258 HydrophobicContact CG2-CD2 4.08Å; I138-Y261 HydrophobicContact CB-CD2 4.13Å; I138-Y261 HydrophobicContact CG2-CD2 3.64Å; I138-Y261 HydrophobicContact CG2-CG 3.92Å
139P98.8Very high97.5Very high0 Ų015.6 Ų15.60%08%0.08CC..PPolyproline II helixtrans-65128.8-176.6-23.635000113.4G90 A137 F233 Y234 F422G90-P139 CarbonylContact O-C 3.57Å; A137-P139 VanDerWaalsContact O-CD 3.23Å; A137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-F233 HydrophobicContact CB-CE1 4.09Å; P139-F233 HydrophobicContact CB-CZ 4.05Å; P139-Y234 VanDerWaalsContact O-CE1 3.29Å; P139-Y234 WeakPolarHBondContact O-CE1 3.38Å; P139-Y234 PolarHBondContact O-OH 3.49Å; P139-F422 HydrophobicContact CG-CD1 4.37Å
140G98.6Very high97.9Very high0 Ų022.9 Ų22.90%011%0.111CC..  trans-105.4-13.3-173.400000116.5G90 I138 I142 R143 G144 Y261G90-G140 PolarHBondContact O-N 2.86Å; I138-G140 PolarHBondContact O-N 2.87Å; G140-I142 PolarHBondContact O-N 2.72Å; G140-R143 PolarHBondContact O-N 3.36Å; G140-G144 PolarHBondContact O-N 2.87Å; G140-Y261 VanDerWaalsContact CA-OH 3.28Å; G140-Y261 WeakPolarHBondContact CA-OH 3.17Å
141E98.2Very high98.2Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-62.8-42-162.7179.3162.1139.500114.4M86 G87 G90 L92 G144 Y145 S403M86-E141 WeakPolarHBondContact CE-OE1 3.48Å; G87-E141 VanDerWaalsContact O-OE2 3.12Å; G90-E141 PolarHBondContact O-N 3.29Å; G90-E141 VanDerWaalsContact O-N 3.14Å; L92-E141 HydrophobicContact CD2-CB 3.93Å; L92-E141 HydrophobicContact CD2-CG 3.9Å; E141-G144 PolarHBondContact O-N 3.21Å; E141-Y145 HydrophobicContact CG-CD2 4.11Å; E141-Y145 HydrophobicContact CG-CE1 3.99Å; E141-Y145 HydrophobicContact CG-CE2 3.35Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.49Å; E141-Y145 WeakPolarHBondContact O-CD2 3.46Å; E141-Y145 VanDerWaalsContact O-CG 3.29Å; E141-Y145 PolarHBondContact O-N 3.48Å; E141-Y145 PolarHBondContact OE1-OH 2.9Å; E141-S403 PolarHBondContact OE2-OG 2.86Å
142I98.8Very high98.3Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-67.5-41178.4-65-60.2000112I88 G140 G144 Y145 E146 F161 I225 P230 F233 Y234I88-I142 HydrophobicContact CB-CD1 4.08Å; I88-I142 HydrophobicContact CB-CG1 4.08Å; I88-I142 HydrophobicContact CG2-CD1 3.55Å; I88-I142 HydrophobicContact CG2-CG1 4.11Å; G140-I142 PolarHBondContact O-N 2.72Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 3.22Å; I142-Y145 HydrophobicContact CD1-CD2 4.09Å; I142-Y145 PolarHBondContact O-N 3.39Å; I142-E146 WeakPolarHBondContact O-CB 3.31Å; I142-E146 PolarHBondContact O-N 2.77Å; I142-F161 HydrophobicContact CD1-CE1 4.41Å; I142-F161 HydrophobicContact CD1-CZ 4.31Å; I142-I225 HydrophobicContact CD1-CD1 4.19Å; I142-I225 HydrophobicContact CD1-CG2 4.32Å; I142-I225 HydrophobicContact CG1-CD1 4.34Å; I142-I225 HydrophobicContact CG2-CG2 4.39Å; I142-P230 HydrophobicContact CG2-CB 3.63Å; I142-F233 HydrophobicContact CB-CG 4.35Å; I142-F233 HydrophobicContact CG1-CD2 3.96Å; I142-F233 HydrophobicContact CG1-CE2 4.28Å; I142-F233 HydrophobicContact CG1-CG 4.17Å; I142-F233 HydrophobicContact CG2-CB 4.23Å; I142-Y234 HydrophobicContact CB-CE2 3.77Å; I142-Y234 HydrophobicContact CG2-CE2 3.87Å
143R98.8Very high98.4Very high19 Ų1921.8 Ų21.87%0.07210%0.104CC..Hα-helixtrans-64.5-36.9172.8-78.8-45.2-176.3-178.1-7111.6G140 E146 M147 D231 Y234 Y261 P263G140-R143 PolarHBondContact O-N 3.36Å; R143-E146 WeakPolarHBondContact CD-OE2 3.48Å; R143-E146 IonicContact CZ-OE2 3.41Å; R143-E146 IonicContact NE-OE2 3.25Å; R143-E146 IonicContact NH1-OE1 3.34Å; R143-E146 IonicContact NH1-OE2 3.79Å; R143-E146 PolarHBondContact NH1-OE2 2.81Å; R143-E146 PolarHBondContact O-N 3.04Å; R143-M147 WeakPolarHBondContact O-CB 3.09Å; R143-M147 PolarHBondContact O-N 3.32Å; R143-D231 IonicContact CZ-OD1 3.65Å; R143-D231 VanDerWaalsContact CZ-OD1 3.29Å; R143-D231 IonicContact NH1-OD1 3.83Å; R143-D231 PolarHBondContact NH1-OD1 2.94Å; R143-D231 IonicContact NH2-OD1 2.71Å; R143-D231 PolarHBondContact NH2-OD1 3.47Å; R143-Y234 HydrophobicContact CB-CE2 4.14Å; R143-Y234 HydrophobicContact CG-CD1 4.41Å; R143-Y234 HydrophobicContact CG-CD2 3.85Å; R143-Y234 HydrophobicContact CG-CE1 4.03Å; R143-Y234 HydrophobicContact CG-CE2 3.43Å; R143-Y234 VanDerWaalsContact CG-CE2 3.43Å; R143-Y234 HydrophobicContact CG-CG 4.33Å; R143-Y234 PolarHBondContact N-OH 3.1Å; R143-Y261 HydrophobicContact CB-CD1 4.03Å; R143-Y261 HydrophobicContact CB-CE1 3.98Å; R143-Y261 HydrophobicContact CG-CD1 3.79Å; R143-Y261 HydrophobicContact CG-CE1 4.28Å; R143-P263 HydrophobicContact CB-CG 3.53Å
144G98.8Very high98.5Very high0 Ų027.9 Ų27.90%013%0.126CC..Hα-helixtrans-59.9-47.5174.600000112.1G140 E141 I142 M147 A148G140-G144 PolarHBondContact O-N 2.87Å; E141-G144 PolarHBondContact O-N 3.21Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 3.22Å; G144-M147 PolarHBondContact O-N 2.93Å; G144-A148 WeakPolarHBondContact O-CB 3.36Å; G144-A148 PolarHBondContact O-N 2.85Å
145Y98.9Very high98.6Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-61.3-44.3174.7-64.5-22.7000112.6I72 L75 L76 L92 F94 E141 I142 A148 H149I72-Y145 WeakPolarHBondContact CD1-O 3.46Å; I72-Y145 HydrophobicContact CG1-CD1 3.87Å; I72-Y145 HydrophobicContact CG1-CG 4.11Å; I72-Y145 HydrophobicContact CG2-CD1 4.42Å; I72-Y145 HydrophobicContact CG2-CD2 4.18Å; I72-Y145 HydrophobicContact CG2-CG 4.02Å; L75-Y145 HydrophobicContact CB-CE1 4.24Å; L75-Y145 WeakPolarHBondContact CB-OH 3.23Å; L75-Y145 HydrophobicContact CD1-CE1 3.7Å; L76-Y145 HydrophobicContact CD2-CE2 4.06Å; L76-Y145 HydrophobicContact CG-CE2 4.25Å; L92-Y145 HydrophobicContact CD1-CD1 4.11Å; L92-Y145 HydrophobicContact CD1-CE1 3.45Å; L92-Y145 VanDerWaalsContact CD1-CE1 3.45Å; F94-Y145 AromaticContact CE2-CD1 3.8Å; F94-Y145 HydrophobicContact CE2-CD1 3.8Å; F94-Y145 HydrophobicContact CE2-CE1 4.15Å; F94-Y145 AromaticContact CZ-CD1 3.71Å; F94-Y145 HydrophobicContact CZ-CD1 3.71Å; F94-Y145 AromaticContact CZ-CE1 3.81Å; F94-Y145 HydrophobicContact CZ-CE1 3.81Å; E141-Y145 HydrophobicContact CG-CD2 4.11Å; E141-Y145 HydrophobicContact CG-CE1 3.99Å; E141-Y145 HydrophobicContact CG-CE2 3.35Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.49Å; E141-Y145 WeakPolarHBondContact O-CD2 3.46Å; E141-Y145 VanDerWaalsContact O-CG 3.29Å; E141-Y145 PolarHBondContact O-N 3.48Å; E141-Y145 PolarHBondContact OE1-OH 2.9Å; I142-Y145 HydrophobicContact CD1-CD2 4.09Å; I142-Y145 PolarHBondContact O-N 3.39Å; Y145-A148 PolarHBondContact O-N 2.74Å; Y145-H149 WeakPolarHBondContact O-CB 3.16Å; Y145-H149 PolarHBondContact O-N 3Å
146E98.9Very high98.6Very high17 Ų1730.5 Ų30.58%0.07915%0.145CC..Hα-helixtrans-58.9-49.5176.4173.9-175.8-157.200111.7I142 R143 A148 H149 K150 W157 P230I142-E146 WeakPolarHBondContact O-CB 3.31Å; I142-E146 PolarHBondContact O-N 2.77Å; R143-E146 WeakPolarHBondContact CD-OE2 3.48Å; R143-E146 IonicContact CZ-OE2 3.41Å; R143-E146 IonicContact NE-OE2 3.25Å; R143-E146 IonicContact NH1-OE1 3.34Å; R143-E146 IonicContact NH1-OE2 3.79Å; R143-E146 PolarHBondContact NH1-OE2 2.81Å; R143-E146 PolarHBondContact O-N 3.04Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 2.81Å; E146-H149 PolarHBondContact O-N 3.16Å; E146-K150 HydrophobicContact CG-CD 3.94Å; E146-K150 HydrophobicContact CG-CG 4.42Å; E146-K150 WeakPolarHBondContact O-CB 3.22Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 3.17Å; E146-K150 WeakPolarHBondContact OE1-CE 3.49Å; E146-K150 IonicContact OE1-NZ 2.64Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å; E146-W157 HydrophobicContact CB-CH2 4.49Å; E146-P230 HydrophobicContact CB-CB 3.89Å; E146-P230 HydrophobicContact CB-CG 3.81Å; E146-P230 HydrophobicContact CG-CB 4.19Å; E146-P230 HydrophobicContact CG-CG 3.58Å; E146-P230 WeakPolarHBondContact OE1-CG 3.47Å
147M98.9Very high98.6Very high39 Ų3932 Ų3219%0.19215%0.15CC..Hα-helixtrans-61.3-44.4-179.3-176.2179.7-68.900111I107 R143 G144 R151 P263 L265I107-M147 HydrophobicContact CD1-CB 4.28Å; I107-M147 HydrophobicContact CD1-CG 3.95Å; I107-M147 HydrophobicContact CD1-SD 4.22Å; I107-M147 HydrophobicContact CG1-CG 4.46Å; I107-M147 HydrophobicContact CG1-SD 4.08Å; I107-M147 HydrophobicContact CG2-SD 3.86Å; R143-M147 WeakPolarHBondContact O-CB 3.09Å; R143-M147 PolarHBondContact O-N 3.32Å; G144-M147 PolarHBondContact O-N 2.93Å; M147-R151 VanDerWaalsContact O-CG 3.28Å; M147-R151 WeakPolarHBondContact O-CG 3.35Å; M147-R151 PolarHBondContact O-N 3.31Å; M147-P263 HydrophobicContact CE-CB 3.74Å; M147-P263 HydrophobicContact CE-CG 3.99Å; M147-P263 HydrophobicContact SD-CB 4.09Å; M147-L265 HydrophobicContact SD-CB 4.03Å
148A98.8Very high98.6Very high0 Ų036.1 Ų36.10%017%0.168CC..Hα-helixtrans-63.6-46.3177.200000111.6V68 F94 I96 I107 G144 Y145 E146 R151 H152V68-A148 HydrophobicContact CG1-CB 3.66Å; F94-A148 HydrophobicContact CD2-CB 4.22Å; F94-A148 HydrophobicContact CE2-CB 4.05Å; I96-A148 HydrophobicContact CD1-CB 4.12Å; I107-A148 HydrophobicContact CD1-CB 3.78Å; G144-A148 WeakPolarHBondContact O-CB 3.36Å; G144-A148 PolarHBondContact O-N 2.85Å; Y145-A148 PolarHBondContact O-N 2.74Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 2.81Å; A148-R151 PolarHBondContact O-N 2.93Å; A148-H152 PolarHBondContact O-N 3.22Å
149H98.8Very high98.6Very high33 Ų3338.1 Ų38.115%0.15318%0.177CC..Hα-helixtrans-64-43.2-179.6-175.3-100.3000112.3D69 I72 Y145 E146 R151 G153 L155 W157D69-H149 IonicContact OD1-CD2 3.11Å; D69-H149 PolarHBondContact OD1-CD2 2.98Å; D69-H149 VanDerWaalsContact OD1-CD2 3.22Å; D69-H149 IonicContact OD1-NE2 2.79Å; D69-H149 PolarHBondContact OD1-NE2 2.72Å; I72-H149 HydrophobicContact CD1-CB 3.81Å; Y145-H149 WeakPolarHBondContact O-CB 3.16Å; Y145-H149 PolarHBondContact O-N 3Å; E146-H149 PolarHBondContact O-N 3.16Å; H149-R151 PolarHBondContact O-N 2.93Å; H149-G153 WeakPolarHBondContact O-CA 3.46Å; H149-G153 PolarHBondContact O-N 2.84Å; H149-L155 PolarHBondContact CE1-O 2.84Å; H149-L155 PolarHBondContact NE2-O 3.24Å; H149-W157 HydrophobicContact CB-CE3 3.98Å; H149-W157 HydrophobicContact CB-CZ3 3.92Å; H149-W157 AromaticContact CG-CE3 3.78Å; H149-W157 AromaticContact ND1-CE3 3.85Å
150K98.6Very high98.6Very high155 Ų15538.1 Ų38.167%0.67418%0.177SC*.Hα-helixtrans-59.5-31.4175.7-79.1177171.3170.50112.9E146E146-K150 HydrophobicContact CG-CD 3.94Å; E146-K150 HydrophobicContact CG-CG 4.42Å; E146-K150 WeakPolarHBondContact O-CB 3.22Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 3.17Å; E146-K150 WeakPolarHBondContact OE1-CE 3.49Å; E146-K150 IonicContact OE1-NZ 2.64Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å
151R97.9Very high98.6Very high96 Ų9638.1 Ų38.136%0.36218%0.177SC..Hα-helixtrans-88.5-38.1-176.9-67.2177.972.278-1.3113.3E105 M147 A148 H149 E267E105-R151 IonicContact OE1-CZ 3.29Å; E105-R151 IonicContact OE1-NE 3.05Å; E105-R151 PolarHBondContact OE1-NE 3.45Å; E105-R151 IonicContact OE1-NH2 2.72Å; E105-R151 IonicContact OE2-CZ 3.59Å; E105-R151 VanDerWaalsContact OE2-CZ 3.29Å; E105-R151 IonicContact OE2-NE 3.97Å; E105-R151 PolarHBondContact OE2-NE 3.2Å; E105-R151 VanDerWaalsContact OE2-NE 3.09Å; E105-R151 IonicContact OE2-NH2 2.96Å; E105-R151 PolarHBondContact OE2-NH2 3.43Å; M147-R151 VanDerWaalsContact O-CG 3.28Å; M147-R151 WeakPolarHBondContact O-CG 3.35Å; M147-R151 PolarHBondContact O-N 3.31Å; A148-R151 PolarHBondContact O-N 2.93Å; H149-R151 PolarHBondContact O-N 2.93Å; R151-E267 IonicContact CZ-OE1 2.78Å; R151-E267 IonicContact NH1-OE1 3.75Å; R151-E267 IonicContact NH2-OE1 3.04Å; R151-E267 PolarHBondContact NH2-OE1 3.17Å
152H98.4Very high98.6Very high26 Ų2642.1 Ų42.112%0.1220%0.196CC..Hα-helixtrans-131.6-7.5-169.4-56.4-77.1000114.9S66 V68 N98 E105 A148S66-H152 WeakPolarHBondContact CB-O 3.28Å; S66-H152 PolarHBondContact OG-O 3.21Å; S66-H152 VanDerWaalsContact OG-O 3.04Å; V68-H152 HydrophobicContact CB-CB 3.92Å; V68-H152 HydrophobicContact CG1-CB 4.44Å; V68-H152 HydrophobicContact CG2-CB 3.6Å; N98-H152 PolarHBondContact ND2-ND1 2.93Å; E105-H152 IonicContact OE1-CD2 2.78Å; E105-H152 IonicContact OE1-CE1 3.42Å; E105-H152 IonicContact OE1-NE2 3.45Å; E105-H152 PolarHBondContact OE1-NE2 3.19Å; E105-H152 IonicContact OE2-NE2 3.03Å; A148-H152 PolarHBondContact O-N 3.22Å
153G98.1Very high98.6Very high28 Ų2843.7 Ų43.729%0.28921%0.206SC..  trans-64.7146-178.400000112.8D69 H149D69-G153 VanDerWaalsContact OD1-CA 3.29Å; D69-G153 WeakPolarHBondContact OD1-CA 3.29Å; H149-G153 WeakPolarHBondContact O-CA 3.46Å; H149-G153 PolarHBondContact O-N 2.84Å
154R98.4Very high98.6Very high128 Ų12842.8 Ų42.848%0.48320%0.203SC..  trans-123.3-37.3178.6-69.5178.4-177.2162.75.3111.9D69 D395D69-R154 PolarHBondContact OD1-N 3.12Å; D69-R154 WeakPolarHBondContact OD2-CA 3.25Å; D69-R154 WeakPolarHBondContact OD2-CB 3.47Å; D69-R154 PolarHBondContact OD2-N 3.33Å; R154-D395 IonicContact CZ-OD2 2.92Å; R154-D395 VanDerWaalsContact CZ-OD2 3.25Å; R154-D395 IonicContact NH1-OD2 3.31Å; R154-D395 PolarHBondContact NH1-OD2 2.82Å; R154-D395 IonicContact NH2-OD2 2.65Å; R154-D395 PolarHBondContact NH2-OD2 3.36Å
155L98.6Very high98.6Very high22 Ų2243.1 Ų43.112%0.11520%0.204CC..SBendtrans-84.1154.5177-62.5-174000111.6I60 R63 D69 H149 W157 L160I60-L155 HydrophobicContact CD1-CD1 4.13Å; I60-L155 HydrophobicContact CG2-CD1 3.86Å; R63-L155 HydrophobicContact CB-CD1 4.23Å; D69-L155 PolarHBondContact OD2-N 3.3Å; D69-L155 VanDerWaalsContact OD2-N 3.15Å; H149-L155 PolarHBondContact CE1-O 2.84Å; H149-L155 PolarHBondContact NE2-O 3.24Å; L155-W157 PolarHBondContact O-N 2.87Å; L155-L160 HydrophobicContact CB-CD2 4.19Å
156P98.6Very high98.6Very high72 Ų7245 Ų4547%0.46822%0.22SC..  trans-55134.6170.5-25.235.3000111.7K158 E159P156-K158 PolarHBondContact O-N 2.87Å; P156-K158 VanDerWaalsContact O-N 3.11Å; P156-E159 HydrophobicContact CB-CG 4.18Å; P156-E159 WeakPolarHBondContact CD-OE1 3.38Å; P156-E159 HydrophobicContact CG-CG 4.38Å; P156-E159 WeakPolarHBondContact CG-OE1 3.41Å; P156-E159 WeakPolarHBondContact O-CB 3.36Å; P156-E159 PolarHBondContact O-N 3.23Å
157W98.6Very high98.6Very high31 Ų3145.6 Ų45.612%0.11722%0.224CC..Hα-helixtrans-45.2-47-179172.9-103000113.1E146 H149 L155 E159 L160 F161 I225 P230E146-W157 HydrophobicContact CB-CH2 4.49Å; H149-W157 HydrophobicContact CB-CE3 3.98Å; H149-W157 HydrophobicContact CB-CZ3 3.92Å; H149-W157 AromaticContact CG-CE3 3.78Å; H149-W157 AromaticContact ND1-CE3 3.85Å; L155-W157 PolarHBondContact O-N 2.87Å; W157-E159 VanDerWaalsContact C-N 3.28Å; W157-E159 PolarHBondContact O-N 3.23Å; W157-L160 WeakPolarHBondContact O-CB 3.5Å; W157-L160 WeakPolarHBondContact O-CG 3.42Å; W157-L160 PolarHBondContact O-N 2.93Å; W157-L160 VanDerWaalsContact O-N 3.11Å; W157-F161 AromaticContact CD2-CE2 3.91Å; W157-F161 HydrophobicContact CD2-CE2 3.91Å; W157-F161 AromaticContact CE2-CE2 3.33Å; W157-F161 AromaticContact CE2-CZ 3.84Å; W157-F161 HydrophobicContact CE3-CE2 4.42Å; W157-F161 HydrophobicContact CG-CE2 4.49Å; W157-F161 AromaticContact CH2-CE2 3.99Å; W157-F161 HydrophobicContact CH2-CE2 3.99Å; W157-F161 HydrophobicContact CH2-CZ 4.09Å; W157-F161 AromaticContact CZ2-CE2 3.39Å; W157-F161 HydrophobicContact CZ2-CE2 3.39Å; W157-F161 AromaticContact CZ2-CZ 3.46Å; W157-F161 HydrophobicContact CZ2-CZ 3.46Å; W157-F161 VanDerWaalsContact CZ2-CZ 3.46Å; W157-F161 HydrophobicContact CZ3-CE2 4.45Å; W157-F161 AromaticContact NE1-CE2 3.59Å; W157-F161 WeakPolarHBondContact O-CD2 3.33Å; W157-I225 HydrophobicContact CZ2-CG2 4.04Å; W157-I225 PolarHBondContact NE1-O 3.26Å; W157-P230 HydrophobicContact CH2-CB 4.46Å; W157-P230 HydrophobicContact CZ2-CB 4.02Å; W157-P230 HydrophobicContact CZ2-CG 4.45Å
158K98.7Very high98.6Very high88 Ų8843.8 Ų43.838%0.38322%0.215SC..Hα-helixtrans-54.8-40.6179.7179.9169.6174.3163.40113.4P156 L160 F161 E162 A226 D227P156-K158 PolarHBondContact O-N 2.87Å; P156-K158 VanDerWaalsContact O-N 3.11Å; K158-L160 PolarHBondContact O-N 3.09Å; K158-F161 PolarHBondContact O-N 2.92Å; K158-F161 VanDerWaalsContact O-N 3.11Å; K158-E162 PolarHBondContact O-N 2.96Å; K158-A226 HydrophobicContact CB-CB 4.43Å; K158-A226 WeakPolarHBondContact CB-O 3.49Å; K158-A226 HydrophobicContact CG-CB 4.04Å; K158-D227 WeakPolarHBondContact CD-OD1 3.45Å; K158-D227 WeakPolarHBondContact CE-OD1 3.2Å; K158-D227 IonicContact NZ-OD1 3.85Å; K158-D227 PolarHBondContact NZ-OD1 3.3Å
159E98.6Very high98.6Very high47 Ų4749.3 Ų49.322%0.2224%0.236CC..Hα-helixtrans-64.8-22.8-176.9-65.8-177.5-16000112.5R63 P156 W157 F161R63-E159 IonicContact CZ-OE2 2.7Å; R63-E159 IonicContact NE-OE2 2.64Å; R63-E159 VanDerWaalsContact NH2-CD 3.27Å; R63-E159 IonicContact NH2-OE2 3.21Å; R63-E159 PolarHBondContact NH2-OE2 2.86Å; P156-E159 HydrophobicContact CB-CG 4.18Å; P156-E159 WeakPolarHBondContact CD-OE1 3.38Å; P156-E159 HydrophobicContact CG-CG 4.38Å; P156-E159 WeakPolarHBondContact CG-OE1 3.41Å; P156-E159 WeakPolarHBondContact O-CB 3.36Å; P156-E159 PolarHBondContact O-N 3.23Å; W157-E159 VanDerWaalsContact C-N 3.28Å; W157-E159 PolarHBondContact O-N 3.23Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.74Å
160L98.8Very high98.6Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-72.6-24.9178.4-49.4-174.6000112.2I60 D69 I72 A73 L155 W157 K158I60-L160 HydrophobicContact CD1-CD2 4.39Å; I60-L160 HydrophobicContact CG2-CD2 4.47Å; D69-L160 HydrophobicContact CB-CD1 4.49Å; D69-L160 HydrophobicContact CB-CD2 3.67Å; I72-L160 HydrophobicContact CB-CD1 4.06Å; I72-L160 HydrophobicContact CD1-CD1 4.1Å; I72-L160 HydrophobicContact CG2-CB 4.18Å; I72-L160 HydrophobicContact CG2-CD1 3.95Å; A73-L160 WeakPolarHBondContact CA-O 3.25Å; A73-L160 HydrophobicContact CB-CB 4.36Å; A73-L160 WeakPolarHBondContact CB-O 3.32Å; L155-L160 HydrophobicContact CB-CD2 4.19Å; W157-L160 WeakPolarHBondContact O-CB 3.5Å; W157-L160 WeakPolarHBondContact O-CG 3.42Å; W157-L160 PolarHBondContact O-N 2.93Å; W157-L160 VanDerWaalsContact O-N 3.11Å; K158-L160 PolarHBondContact O-N 3.09Å
161F98.8Very high98.5Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-91.8-25.6-178.7-73.2-105000112.8L76 I142 W157 K158 E159 P163 S164 I165 Y222 I225 A226L76-F161 HydrophobicContact CD1-CB 4.48Å; L76-F161 HydrophobicContact CD1-CD1 3.64Å; L76-F161 HydrophobicContact CD1-CD2 3.89Å; L76-F161 HydrophobicContact CD1-CE1 3.66Å; L76-F161 HydrophobicContact CD1-CE2 3.88Å; L76-F161 HydrophobicContact CD1-CG 3.75Å; L76-F161 HydrophobicContact CD1-CZ 3.77Å; L76-F161 HydrophobicContact CD2-CD1 4.13Å; L76-F161 HydrophobicContact CD2-CE1 3.69Å; L76-F161 HydrophobicContact CD2-CZ 4.22Å; L76-F161 HydrophobicContact CG-CE1 4.35Å; I142-F161 HydrophobicContact CD1-CE1 4.41Å; I142-F161 HydrophobicContact CD1-CZ 4.31Å; W157-F161 AromaticContact CD2-CE2 3.91Å; W157-F161 HydrophobicContact CD2-CE2 3.91Å; W157-F161 AromaticContact CE2-CE2 3.33Å; W157-F161 AromaticContact CE2-CZ 3.84Å; W157-F161 HydrophobicContact CE3-CE2 4.42Å; W157-F161 HydrophobicContact CG-CE2 4.49Å; W157-F161 AromaticContact CH2-CE2 3.99Å; W157-F161 HydrophobicContact CH2-CE2 3.99Å; W157-F161 HydrophobicContact CH2-CZ 4.09Å; W157-F161 AromaticContact CZ2-CE2 3.39Å; W157-F161 HydrophobicContact CZ2-CE2 3.39Å; W157-F161 AromaticContact CZ2-CZ 3.46Å; W157-F161 HydrophobicContact CZ2-CZ 3.46Å; W157-F161 VanDerWaalsContact CZ2-CZ 3.46Å; W157-F161 HydrophobicContact CZ3-CE2 4.45Å; W157-F161 AromaticContact NE1-CE2 3.59Å; W157-F161 WeakPolarHBondContact O-CD2 3.33Å; K158-F161 PolarHBondContact O-N 2.92Å; K158-F161 VanDerWaalsContact O-N 3.11Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 2.74Å; F161-P163 VanDerWaalsContact C-CD 3.44Å; F161-S164 PolarHBondContact O-N 3.26Å; F161-I165 HydrophobicContact CB-CD1 3.75Å; F161-I165 HydrophobicContact CB-CG1 4.28Å; F161-I165 WeakPolarHBondContact O-CG1 3.49Å; F161-I165 PolarHBondContact O-N 2.99Å; F161-Y222 HydrophobicContact CD1-CD1 4.32Å; F161-Y222 HydrophobicContact CD1-CG 4.26Å; F161-Y222 HydrophobicContact CE1-CD1 4.4Å; F161-I225 HydrophobicContact CE1-CB 4.1Å; F161-I225 HydrophobicContact CE1-CG2 3.64Å; F161-I225 HydrophobicContact CE2-CG2 4.39Å; F161-I225 HydrophobicContact CZ-CB 4.48Å; F161-I225 HydrophobicContact CZ-CG2 3.56Å; F161-A226 HydrophobicContact CB-CB 3.61Å; F161-A226 HydrophobicContact CD1-CB 4.47Å; F161-A226 HydrophobicContact CD2-CB 4.22Å; F161-A226 HydrophobicContact CG-CB 3.85Å
162E98.7Very high98.5Very high83 Ų8342.5 Ų42.539%0.38822%0.219SC..Hα-helixtrans-50-46.1-174.8-67.1175.716100114K158 S164 I165 A166K158-E162 PolarHBondContact O-N 2.96Å; E162-S164 VanDerWaalsContact C-N 3.33Å; E162-S164 PolarHBondContact O-N 3.25Å; E162-I165 PolarHBondContact O-N 3.29Å; E162-A166 PolarHBondContact O-N 3.43Å; E162-A166 VanDerWaalsContact O-N 3.07Å
163P98.6Very high98.5Very high34 Ų3444.9 Ų44.922%0.22124%0.237CC..Hα-helixtrans-62.1-41.9-179.8-22.135000112.3V56 F161 A166 L167V56-P163 HydrophobicContact CG1-CB 3.81Å; V56-P163 HydrophobicContact CG1-CG 3.97Å; V56-P163 HydrophobicContact CG2-CB 4.04Å; F161-P163 VanDerWaalsContact C-CD 3.44Å; P163-A166 PolarHBondContact O-N 3.01Å; P163-L167 WeakPolarHBondContact O-CG 3.24Å; P163-L167 PolarHBondContact O-N 3.43Å
164S98.8Very high98.4Very high0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-75.7-34.2-178.1-57.70000111.9L76 C77 L80 F161 E162 A166 L167 A168L76-S164 VanDerWaalsContact C-OG 3.26Å; L76-S164 WeakPolarHBondContact CB-OG 3.08Å; C77-S164 WeakPolarHBondContact CA-OG 3.39Å; C77-S164 PolarHBondContact N-OG 2.98Å; L80-S164 VanDerWaalsContact CD1-O 3.24Å; L80-S164 WeakPolarHBondContact CD1-O 3.18Å; F161-S164 PolarHBondContact O-N 3.26Å; E162-S164 VanDerWaalsContact C-N 3.33Å; E162-S164 PolarHBondContact O-N 3.25Å; S164-A166 VanDerWaalsContact C-N 3.34Å; S164-L167 PolarHBondContact O-N 2.84Å; S164-A168 VanDerWaalsContact O-CB 3.23Å; S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 3.06Å
165I98.9Very high98.2Very high6 Ų639.4 Ų39.43%0.03122%0.219CC..Hα-helixtrans-59.4-46.9171.2-69.8163.9000110.4F161 E162 A168 R169 Q223 A226F161-I165 HydrophobicContact CB-CD1 3.75Å; F161-I165 HydrophobicContact CB-CG1 4.28Å; F161-I165 WeakPolarHBondContact O-CG1 3.49Å; F161-I165 PolarHBondContact O-N 2.99Å; E162-I165 PolarHBondContact O-N 3.29Å; I165-A168 PolarHBondContact O-N 3.07Å; I165-R169 VanDerWaalsContact CG2-NH2 3.32Å; I165-R169 WeakPolarHBondContact O-CB 3.3Å; I165-R169 PolarHBondContact O-N 2.91Å; I165-Q223 HydrophobicContact CD1-CB 4.31Å; I165-A226 HydrophobicContact CD1-CB 4.05Å
166A98.7Very high97.9Very high40 Ų4045 Ų4533%0.33124%0.243SC..Hα-helixtrans-62-48.4177.800000111.3E162 P163 S164 A168 R169 D170E162-A166 PolarHBondContact O-N 3.43Å; E162-A166 VanDerWaalsContact O-N 3.07Å; P163-A166 PolarHBondContact O-N 3.01Å; S164-A166 VanDerWaalsContact C-N 3.34Å; A166-A168 PolarHBondContact O-N 3.28Å; A166-R169 PolarHBondContact O-N 3.08Å; A166-D170 WeakPolarHBondContact O-CB 3.43Å; A166-D170 PolarHBondContact O-N 2.83Å
167L98.6Very high97.5Very high30 Ų3042.2 Ų42.216%0.15723%0.226CC..Hα-helixtrans-59.1-44.7177.1-73.8170.9000112.6C77 L80 L81 P163 S164 R169 G171 F172C77-L167 HydrophobicContact CB-CD1 4.48Å; L80-L167 HydrophobicContact CD1-CB 3.86Å; L81-L167 HydrophobicContact CD1-CD1 4.34Å; P163-L167 WeakPolarHBondContact O-CG 3.24Å; P163-L167 PolarHBondContact O-N 3.43Å; S164-L167 PolarHBondContact O-N 2.84Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.11Å; L167-G171 VanDerWaalsContact O-CA 3.24Å; L167-G171 WeakPolarHBondContact O-CA 3.32Å; L167-G171 PolarHBondContact O-N 3.39Å; L167-F172 HydrophobicContact CB-CD1 4.18Å; L167-F172 HydrophobicContact CD2-CB 4.29Å; L167-F172 HydrophobicContact CD2-CD1 4.47Å
168A98.7Very high97.3Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-64.7-3818000000112.2L80 S164 I165 A166 F215 A219L80-A168 HydrophobicContact CD1-CB 3.91Å; L80-A168 HydrophobicContact CD2-CB 3.95Å; S164-A168 VanDerWaalsContact O-CB 3.23Å; S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 3.06Å; I165-A168 PolarHBondContact O-N 3.07Å; A166-A168 PolarHBondContact O-N 3.28Å; A168-F215 HydrophobicContact CB-CB 4.08Å; A168-F215 CarbonylContact O-C 3.25Å; A168-F215 PolarHBondContact O-N 2.99Å; A168-A219 HydrophobicContact CB-CB 3.61Å
169R98.4Very high97.1Very high116 Ų11637.1 Ų37.144%0.43821%0.207SC..Hα-helixtrans-79.4-48.7-178-170.1178.5-65.3130.8-1.1112.8I165 A166 L167 A219I165-R169 VanDerWaalsContact CG2-NH2 3.32Å; I165-R169 WeakPolarHBondContact O-CB 3.3Å; I165-R169 PolarHBondContact O-N 2.91Å; A166-R169 PolarHBondContact O-N 3.08Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.11Å; R169-A219 HydrophobicContact CB-CB 4.02Å
170D98.1Very high96.8Very high110 Ų11038 Ų3859%0.58821%0.211SC*.Hα-helixtrans-81.8-28.3-173.3-62.3-18.9000111.5A166 K214A166-D170 WeakPolarHBondContact O-CB 3.43Å; A166-D170 PolarHBondContact O-N 2.83Å; D170-K214 WeakPolarHBondContact O-CE 3.31Å
171G98.1Very high96.6Very high18 Ų1838 Ų3819%0.18621%0.211CC..  trans89.2165.9-178.600000113.8L167 V213L167-G171 VanDerWaalsContact O-CA 3.24Å; L167-G171 WeakPolarHBondContact O-CA 3.32Å; L167-G171 PolarHBondContact O-N 3.39Å; G171-V213 CarbonylContact C-O 3.58Å; G171-V213 WeakPolarHBondContact CA-O 3.28Å
172F98Very high96.5Very high13 Ų1338 Ų386%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-148.9156.9-179.755.6-90.2000110.8L80 L81 L167 I174 I212 V213 F215L80-F172 HydrophobicContact CB-CE1 3.77Å; L80-F172 HydrophobicContact CB-CZ 3.77Å; L80-F172 WeakPolarHBondContact O-CZ 3.26Å; L81-F172 HydrophobicContact CB-CE2 4.43Å; L81-F172 HydrophobicContact CD1-CD1 4.34Å; L81-F172 HydrophobicContact CD1-CD2 4Å; L81-F172 HydrophobicContact CD1-CE1 4.18Å; L81-F172 HydrophobicContact CD1-CE2 3.83Å; L81-F172 HydrophobicContact CD1-CG 4.25Å; L81-F172 HydrophobicContact CD1-CZ 3.92Å; L81-F172 HydrophobicContact CG-CD2 4Å; L81-F172 HydrophobicContact CG-CE2 3.81Å; L81-F172 HydrophobicContact CG-CZ 4.33Å; L167-F172 HydrophobicContact CB-CD1 4.18Å; L167-F172 HydrophobicContact CD2-CB 4.29Å; L167-F172 HydrophobicContact CD2-CD1 4.47Å; F172-I174 PolarHBondContact O-N 3.43Å; F172-I212 WeakPolarHBondContact O-CA 3.27Å; F172-V213 HydrophobicContact CD2-CG1 3.91Å; F172-V213 HydrophobicContact CE1-CG1 4.16Å; F172-V213 HydrophobicContact CE2-CG1 3.5Å; F172-V213 VanDerWaalsContact CE2-CG1 3.5Å; F172-V213 HydrophobicContact CG-CG1 4.4Å; F172-V213 HydrophobicContact CZ-CG1 3.64Å; F172-V213 PolarHBondContact N-O 2.99Å; F172-V213 VanDerWaalsContact N-O 3.11Å; F172-V213 PolarHBondContact O-N 3.02Å; F172-F215 HydrophobicContact CE1-CD2 4.09Å; F172-F215 AromaticContact CE1-CE2 3.92Å; F172-F215 HydrophobicContact CE1-CE2 3.92Å; F172-F215 HydrophobicContact CZ-CD2 4.27Å; F172-F215 AromaticContact CZ-CE2 3.63Å; F172-F215 HydrophobicContact CZ-CE2 3.63Å
173P97.6Very high96.4Very high77 Ų7740 Ų4050%0.522%0.219SC..EExtended strand (participates in β ladder)trans-67.2132.1176.127.2-34.3000111.1G175 D211 I212P173-G175 PolarHBondContact O-N 3.01Å; P173-D211 CarbonylContact C-O 3.4Å; P173-D211 WeakPolarHBondContact CA-O 3.4Å; P173-I212 HydrophobicContact CB-CD1 4.18Å
174I96.9Very high96.1Very high1 Ų144.9 Ų44.91%0.00524%0.236CC..PPolyproline II helixtrans-64.2124.9176.5-67.4172.1000109.9F172 L178 A179 I182 L207 N210 D211 V213F172-I174 PolarHBondContact O-N 3.43Å; I174-L178 HydrophobicContact CG1-CD2 4.37Å; I174-L178 HydrophobicContact CG2-CB 4.04Å; I174-L178 HydrophobicContact CG2-CD2 4.18Å; I174-L178 HydrophobicContact CG2-CG 4.05Å; I174-A179 HydrophobicContact CG2-CB 3.79Å; I174-I182 HydrophobicContact CD1-CD1 3.97Å; I174-I182 HydrophobicContact CG2-CD1 4.46Å; I174-L207 HydrophobicContact CD1-CB 3.41Å; I174-L207 VanDerWaalsContact CD1-CB 3.41Å; I174-L207 HydrophobicContact CD1-CD1 3.91Å; I174-L207 HydrophobicContact CD1-CG 4.31Å; I174-N210 PolarHBondContact O-N 3.42Å; I174-D211 HydrophobicContact CD1-CB 4.39Å; I174-D211 WeakPolarHBondContact CG1-O 3.39Å; I174-D211 PolarHBondContact N-O 3.1Å; I174-V213 HydrophobicContact CD1-CB 3.98Å; I174-V213 HydrophobicContact CD1-CG1 4.43Å; I174-V213 HydrophobicContact CG1-CB 3.71Å; I174-V213 HydrophobicContact CG1-CG1 3.63Å
175G93.3Very high96Very high39 Ų3945.4 Ų45.440%0.40224%0.24SC..PPolyproline II helixtrans-76.1162.317200000113.2P173 A177 L178 A179P173-G175 PolarHBondContact O-N 3.01Å; G175-A177 VanDerWaalsContact C-N 3.31Å; G175-A177 PolarHBondContact O-N 3.07Å; G175-L178 PolarHBondContact O-N 3.09Å; G175-A179 PolarHBondContact O-N 3.3Å
176K91.4Very high95.8Very high139 Ų13949.1 Ų49.160%0.60426%0.256SS*.Hα-helixtrans-52.3-42.7-177.9-173.9-178.8179.6-176.50114.3H180K176-H180 WeakPolarHBondContact O-CB 3.4Å; K176-H180 PolarHBondContact O-N 2.87Å
177A90.4Very high95.6Very high14 Ų1454.3 Ų54.312%0.11627%0.273CS..Hα-helixtrans-64.6-49.8-178.500000111.9G175 H180 A181 K591G175-A177 VanDerWaalsContact C-N 3.31Å; G175-A177 PolarHBondContact O-N 3.07Å; A177-H180 WeakPolarHBondContact O-CB 3.18Å; A177-H180 PolarHBondContact O-N 3.05Å; A177-A181 PolarHBondContact O-N 3.19Å; A177-K591 HydrophobicContact CB-CB 4.16Å; A177-K591 HydrophobicContact CB-CD 4.47Å; A177-K591 HydrophobicContact CB-CG 3.96Å
178L94.8Very high95.4Very high0 Ų054.8 Ų54.80%028%0.279CS..Hα-helixtrans-63.3-42.6176.9178.961000111.4H84 I174 G175 H180 A181 I182 F199 F409H84-L178 HydrophobicContact CB-CD1 4.06Å; I174-L178 HydrophobicContact CG1-CD2 4.37Å; I174-L178 HydrophobicContact CG2-CB 4.04Å; I174-L178 HydrophobicContact CG2-CD2 4.18Å; I174-L178 HydrophobicContact CG2-CG 4.05Å; G175-L178 PolarHBondContact O-N 3.09Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 2.91Å; L178-A181 PolarHBondContact O-N 2.99Å; L178-I182 HydrophobicContact CD1-CD1 4.23Å; L178-I182 HydrophobicContact CD1-CG1 4.21Å; L178-I182 HydrophobicContact CG-CD1 3.94Å; L178-I182 HydrophobicContact CG-CG1 4.38Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 3.43Å; L178-F199 HydrophobicContact CD1-CE1 4.21Å; L178-F199 HydrophobicContact CD2-CE1 4.46Å; L178-F409 HydrophobicContact CD1-CE1 4.11Å; L178-F409 HydrophobicContact CD1-CZ 4.07Å
179A95.4Very high95.3Very high13 Ų1354.8 Ų54.811%0.10728%0.279CS..Hα-helixtrans-58.4-41.6174.700000112.4I174 G175 I182 F183 E209I174-A179 HydrophobicContact CG2-CB 3.79Å; G175-A179 PolarHBondContact O-N 3.3Å; A179-I182 PolarHBondContact O-N 3.38Å; A179-F183 WeakPolarHBondContact O-CB 3.49Å; A179-F183 PolarHBondContact O-N 3.31Å; A179-E209 HydrophobicContact CB-CB 3.78Å
180H92.6Very high95.1Very high66 Ų6653.9 Ų53.931%0.30628%0.28SS..Hα-helixtrans-63.9-44.6175.6-174.782.7000111.8K176 A177 L178 F183 K184K176-H180 WeakPolarHBondContact O-CB 3.4Å; K176-H180 PolarHBondContact O-N 2.87Å; A177-H180 WeakPolarHBondContact O-CB 3.18Å; A177-H180 PolarHBondContact O-N 3.05Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 2.91Å; H180-F183 PolarHBondContact O-N 3.07Å; H180-K184 VanDerWaalsContact NE2-CE 3.28Å; H180-K184 WeakPolarHBondContact NE2-CE 3.4Å; H180-K184 WeakPolarHBondContact O-CB 3.41Å; H180-K184 WeakPolarHBondContact O-CG 3.31Å; H180-K184 PolarHBondContact O-N 3.06Å
181A93.8Very high94.8Very high0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-63.7-42.217800000112.1H84 A177 L178 K184 S185 Y408 F409H84-A181 HydrophobicContact CB-CB 3.5Å; H84-A181 VanDerWaalsContact CD2-CB 3.49Å; H84-A181 WeakPolarHBondContact CD2-CB 3.48Å; A177-A181 PolarHBondContact O-N 3.19Å; L178-A181 PolarHBondContact O-N 2.99Å; A181-K184 PolarHBondContact O-N 3.41Å; A181-S185 WeakPolarHBondContact O-CB 3.3Å; A181-S185 PolarHBondContact O-N 3.47Å; A181-S185 PolarHBondContact O-OG 3.42Å; A181-Y408 HydrophobicContact CB-CD2 3.72Å; A181-Y408 HydrophobicContact CB-CE2 3.87Å; A181-Y408 HydrophobicContact CB-CG 4.16Å; A181-F409 HydrophobicContact CB-CE2 4.03Å; A181-F409 HydrophobicContact CB-CZ 4.27Å
182I96.9Very high94.5Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-57.5-49.6173.4-69.6168000110I174 L178 A179 K184 S185 K186 I189 F199 I206 F409I174-I182 HydrophobicContact CD1-CD1 3.97Å; I174-I182 HydrophobicContact CG2-CD1 4.46Å; L178-I182 HydrophobicContact CD1-CD1 4.23Å; L178-I182 HydrophobicContact CD1-CG1 4.21Å; L178-I182 HydrophobicContact CG-CD1 3.94Å; L178-I182 HydrophobicContact CG-CG1 4.38Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.44Å; L178-I182 PolarHBondContact O-N 3.43Å; A179-I182 PolarHBondContact O-N 3.38Å; I182-K184 VanDerWaalsContact C-N 3.34Å; I182-K184 PolarHBondContact O-N 2.86Å; I182-S185 CarbonylContact O-C 3.38Å; I182-S185 PolarHBondContact O-N 3.07Å; I182-S185 VanDerWaalsContact O-N 3.16Å; I182-K186 WeakPolarHBondContact O-CA 3.39Å; I182-K186 PolarHBondContact O-N 3.4Å; I182-I189 HydrophobicContact CB-CD1 4.08Å; I182-I189 HydrophobicContact CG1-CD1 4.15Å; I182-I189 HydrophobicContact CG2-CD1 3.88Å; I182-F199 HydrophobicContact CD1-CB 4.39Å; I182-F199 HydrophobicContact CD1-CD1 3.66Å; I182-F199 HydrophobicContact CD1-CE1 4.36Å; I182-F199 HydrophobicContact CD1-CG 4.34Å; I182-F199 HydrophobicContact CG1-CB 4.45Å; I182-F199 HydrophobicContact CG1-CD1 4.03Å; I182-F199 HydrophobicContact CG1-CG 4.37Å; I182-I206 HydrophobicContact CG2-CB 3.71Å; I182-I206 HydrophobicContact CG2-CD1 4.25Å; I182-I206 HydrophobicContact CG2-CG2 4.07Å; I182-F409 HydrophobicContact CG1-CZ 3.85Å
183F96.3Very high94.2Very high125 Ų12556.3 Ų56.355%0.54832%0.317SS..Hα-helixtrans-60-43178.3176.3-99000112.6A179 H180 S185 K186 I206A179-F183 WeakPolarHBondContact O-CB 3.49Å; A179-F183 PolarHBondContact O-N 3.31Å; H180-F183 PolarHBondContact O-N 3.07Å; F183-S185 VanDerWaalsContact C-N 3.29Å; F183-S185 PolarHBondContact O-N 2.86Å; F183-K186 WeakPolarHBondContact O-CB 3.46Å; F183-K186 PolarHBondContact O-N 3.34Å; F183-I206 HydrophobicContact CB-CD1 4.45Å; F183-I206 HydrophobicContact CD2-CD1 4.24Å
184K93.8Very high94.1Very high135 Ų13554.4 Ų54.459%0.58730%0.302SS*.Hα-helixtrans-66-30.3177.2-73.3-69.1-173.3173.50113.1H180 A181 I182H180-K184 VanDerWaalsContact NE2-CE 3.28Å; H180-K184 WeakPolarHBondContact NE2-CE 3.4Å; H180-K184 WeakPolarHBondContact O-CB 3.41Å; H180-K184 WeakPolarHBondContact O-CG 3.31Å; H180-K184 PolarHBondContact O-N 3.06Å; A181-K184 PolarHBondContact O-N 3.41Å; I182-K184 VanDerWaalsContact C-N 3.34Å; I182-K184 PolarHBondContact O-N 2.86Å
185S94.9Very high94.1Very high11 Ų1154.3 Ų54.38%0.07730%0.302CS..THydrogen-bonded Turntrans-103.417.6-178.8-56.10000113.3A181 I182 F183 E187 S188 I189 K412A181-S185 WeakPolarHBondContact O-CB 3.3Å; A181-S185 PolarHBondContact O-N 3.47Å; A181-S185 PolarHBondContact O-OG 3.42Å; I182-S185 CarbonylContact O-C 3.38Å; I182-S185 PolarHBondContact O-N 3.07Å; I182-S185 VanDerWaalsContact O-N 3.16Å; F183-S185 VanDerWaalsContact C-N 3.29Å; F183-S185 PolarHBondContact O-N 2.86Å; S185-E187 VanDerWaalsContact C-N 3.28Å; S185-E187 PolarHBondContact O-N 3.29Å; S185-E187 VanDerWaalsContact O-N 3.14Å; S185-S188 WeakPolarHBondContact O-CB 3.39Å; S185-S188 PolarHBondContact O-N 3Å; S185-I189 WeakPolarHBondContact O-CG1 3.35Å; S185-I189 PolarHBondContact O-N 3.22Å; S185-K412 PolarHBondContact OG-NZ 3.42Å
186K95.8Very high94.2Very high85 Ų8553.2 Ų53.237%0.3729%0.288SS..Hα-helixtrans-51.2-43.1-171.571.9-178.1-177.1168.60113.6I182 F183 I189 Q190 I206I182-K186 WeakPolarHBondContact O-CA 3.39Å; I182-K186 PolarHBondContact O-N 3.4Å; F183-K186 WeakPolarHBondContact O-CB 3.46Å; F183-K186 PolarHBondContact O-N 3.34Å; K186-I189 PolarHBondContact O-N 2.87Å; K186-Q190 WeakPolarHBondContact O-CB 3.42Å; K186-Q190 VanDerWaalsContact O-CG 3.28Å; K186-Q190 WeakPolarHBondContact O-CG 3.22Å; K186-Q190 PolarHBondContact O-N 2.95Å; K186-I206 HydrophobicContact CB-CD1 4.01Å; K186-I206 HydrophobicContact CB-CG2 4.15Å
187E94.6Very high94.4Very high148 Ų14851.8 Ų51.869%0.69228%0.283SS*.Hα-helixtrans-68.8-40.7-176.1-77.3151.7-149.800110.8S185 G191S185-E187 VanDerWaalsContact C-N 3.28Å; S185-E187 PolarHBondContact O-N 3.29Å; S185-E187 VanDerWaalsContact O-N 3.14Å; E187-G191 PolarHBondContact O-N 3.14Å
188S93.3Very high94.8Very high41 Ų4151.8 Ų51.829%0.28728%0.282SS..Hα-helixtrans-67.8-42.7175.2-169.30000111.8S185 G191 D192 K412S185-S188 WeakPolarHBondContact O-CB 3.39Å; S185-S188 PolarHBondContact O-N 3Å; S188-G191 PolarHBondContact O-N 3.34Å; S188-D192 PolarHBondContact O-N 3.28Å; S188-D192 VanDerWaalsContact O-N 3.17Å; S188-K412 WeakPolarHBondContact OG-CB 3.42Å; S188-K412 WeakPolarHBondContact OG-CG 3.5Å
189I96.8Very high94.9Very high0 Ų051.8 Ų51.80%028%0.282CS..Hα-helixtrans-65.5-47.7-179.8-72.6169.5000110.7I182 S185 K186 G191 D192 M195 C196 F199 I206 F409I182-I189 HydrophobicContact CB-CD1 4.08Å; I182-I189 HydrophobicContact CG1-CD1 4.15Å; I182-I189 HydrophobicContact CG2-CD1 3.88Å; S185-I189 WeakPolarHBondContact O-CG1 3.35Å; S185-I189 PolarHBondContact O-N 3.22Å; K186-I189 PolarHBondContact O-N 2.87Å; I189-G191 VanDerWaalsContact C-N 3.27Å; I189-G191 PolarHBondContact O-N 2.55Å; I189-D192 PolarHBondContact O-N 2.95Å; I189-M195 HydrophobicContact CG1-CE 4.02Å; I189-M195 HydrophobicContact CG2-CB 4.43Å; I189-C196 WeakPolarHBondContact O-CB 3.14Å; I189-C196 PolarHBondContact O-N 2.83Å; I189-F199 HydrophobicContact CD1-CB 4.35Å; I189-F199 HydrophobicContact CG2-CB 3.77Å; I189-I206 HydrophobicContact CG2-CG2 4.25Å; I189-F409 HydrophobicContact CD1-CE2 3.88Å; I189-F409 HydrophobicContact CD1-CZ 4.03Å
190Q95.1Very high95.1Very high96 Ų9651.8 Ų51.845%0.44928%0.281SS..Hα-helixtrans-72.1-24.4-179.3-67.3-179.6-63.500112.5K186 K204 I206K186-Q190 WeakPolarHBondContact O-CB 3.42Å; K186-Q190 VanDerWaalsContact O-CG 3.28Å; K186-Q190 WeakPolarHBondContact O-CG 3.22Å; K186-Q190 PolarHBondContact O-N 2.95Å; Q190-K204 PolarHBondContact NE2-O 3.03Å; Q190-I206 HydrophobicContact CG-CG2 3.93Å
191G91.8Very high95.3Very high69 Ų6950.9 Ų50.971%0.71128%0.279SS*.Hα-helixtrans-77.8-22.6176.100000114.3E187 S188 I189E187-G191 PolarHBondContact O-N 3.14Å; S188-G191 PolarHBondContact O-N 3.34Å; I189-G191 VanDerWaalsContact C-N 3.27Å; I189-G191 PolarHBondContact O-N 2.55Å
192D91.2Very high95.2Very high43 Ų4356.9 Ų56.923%0.2332%0.32CS..SBendtrans-105.3123.3178.2-178.3-76.5000111S188 I189 N194 M195 C196S188-D192 PolarHBondContact O-N 3.28Å; S188-D192 VanDerWaalsContact O-N 3.17Å; I189-D192 PolarHBondContact O-N 2.95Å; D192-N194 VanDerWaalsContact C-N 3.31Å; D192-N194 PolarHBondContact O-N 2.56Å; D192-N194 WeakPolarHBondContact OD1-CA 3.41Å; D192-N194 WeakPolarHBondContact OD1-CB 3.35Å; D192-N194 PolarHBondContact OD1-N 2.85Å; D192-M195 HydrophobicContact CB-CB 3.99Å; D192-M195 HydrophobicContact CB-CG 4.01Å; D192-M195 PolarHBondContact O-N 3.04Å; D192-M195 PolarHBondContact OD1-N 3.48Å; D192-C196 WeakPolarHBondContact O-CB 3.39Å; D192-C196 PolarHBondContact O-N 3.45Å
193A92.6Very high95.1Very high81 Ų8162.8 Ų62.867%0.66935%0.348SS*.Hα-helixtrans-65-33.8-174.600000113.1E197A193-E197 WeakPolarHBondContact O-CB 3.43Å; A193-E197 PolarHBondContact O-N 3.05Å
194N94.8Very high95Very high36 Ų3664.2 Ų64.219%0.19335%0.354CS..Hα-helixtrans-76.6-43.1-178.4-54.1-51000110.4D192 C196 E197 V198 M414 R416D192-N194 VanDerWaalsContact C-N 3.31Å; D192-N194 PolarHBondContact O-N 2.56Å; D192-N194 WeakPolarHBondContact OD1-CA 3.41Å; D192-N194 WeakPolarHBondContact OD1-CB 3.35Å; D192-N194 PolarHBondContact OD1-N 2.85Å; N194-C196 VanDerWaalsContact C-N 3.32Å; N194-C196 PolarHBondContact O-N 3.1Å; N194-E197 WeakPolarHBondContact O-CB 3.43Å; N194-E197 PolarHBondContact O-N 2.86Å; N194-V198 PolarHBondContact O-N 2.94Å; N194-M414 HydrophobicContact CB-CB 4.12Å; N194-M414 HydrophobicContact CB-CG 4.21Å; N194-M414 HydrophobicContact CB-SD 4.15Å; N194-M414 PolarHBondContact ND2-O 3.06Å; N194-R416 WeakPolarHBondContact OD1-CB 3.41Å
195M96.3Very high95.2Very high0 Ų063.8 Ų63.80%035%0.349CS..Hα-helixtrans-61.5-42.4173.4-69.5-70.4-80.900111I189 D192 E197 V198 F199 F409 M414 I421I189-M195 HydrophobicContact CG1-CE 4.02Å; I189-M195 HydrophobicContact CG2-CB 4.43Å; D192-M195 HydrophobicContact CB-CB 3.99Å; D192-M195 HydrophobicContact CB-CG 4.01Å; D192-M195 PolarHBondContact O-N 3.04Å; D192-M195 PolarHBondContact OD1-N 3.48Å; M195-E197 VanDerWaalsContact C-N 3.34Å; M195-V198 PolarHBondContact O-N 3.32Å; M195-F199 HydrophobicContact CE-CD2 4.09Å; M195-F199 HydrophobicContact CE-CE2 3.98Å; M195-F199 WeakPolarHBondContact O-CB 3.24Å; M195-F199 WeakPolarHBondContact O-CD2 3.28Å; M195-F199 PolarHBondContact O-N 3.33Å; M195-F199 HydrophobicContact SD-CD2 4.22Å; M195-F199 HydrophobicContact SD-CE2 4.01Å; M195-F409 HydrophobicContact CE-CB 3.66Å; M195-F409 HydrophobicContact CE-CD1 3.58Å; M195-F409 HydrophobicContact CE-CD2 4.3Å; M195-F409 HydrophobicContact CE-CE1 4.22Å; M195-F409 HydrophobicContact CE-CG 3.6Å; M195-M414 HydrophobicContact CG-CB 4Å; M195-M414 HydrophobicContact SD-CB 3.69Å; M195-M414 HydrophobicContact SD-CE 3.64Å; M195-M414 HydrophobicContact SD-SD 4.33Å; M195-I421 HydrophobicContact SD-CD1 4.37Å; M195-I421 HydrophobicContact SD-CG1 4.41Å
196C96.5Very high95.3Very high15 Ų1564.7 Ų64.710%0.10135%0.352CS..Hα-helixtrans-71-28.2178.3-157.60000112.6I189 D192 N194 V198 C200I189-C196 WeakPolarHBondContact O-CB 3.14Å; I189-C196 PolarHBondContact O-N 2.83Å; D192-C196 WeakPolarHBondContact O-CB 3.39Å; D192-C196 PolarHBondContact O-N 3.45Å; N194-C196 VanDerWaalsContact C-N 3.32Å; N194-C196 PolarHBondContact O-N 3.1Å; C196-V198 PolarHBondContact O-N 2.91Å; C196-C200 WeakPolarHBondContact CA-SG 3.33Å; C196-C200 HydrophobicContact CB-CB 4.09Å; C196-C200 WeakPolarHBondContact CB-SG 3.3Å; C196-C200 WeakPolarHBondContact O-CA 3.36Å; C196-C200 WeakPolarHBondContact O-CB 3.31Å; C196-C200 PolarHBondContact O-N 3.2Å; C196-C200 WeakPolarHBondContact SG-CB 3.09Å; C196-C200 CovalentContact SG-SG 2.06Å; C196-C200 PolarHBondContact SG-SG 3.03Å
197E95.7Very high95.5Very high109 Ų10961.5 Ų61.551%0.50934%0.339SS..Hα-helixtrans-57.6-34.9171.1-170.9-174.2166.100111.8A193 N194 M195 K217A193-E197 WeakPolarHBondContact O-CB 3.43Å; A193-E197 PolarHBondContact O-N 3.05Å; N194-E197 WeakPolarHBondContact O-CB 3.43Å; N194-E197 PolarHBondContact O-N 2.86Å; M195-E197 VanDerWaalsContact C-N 3.34Å; E197-K217 IonicContact OE1-NZ 3.9Å; E197-K217 IonicContact OE2-NZ 2.88Å; E197-K217 PolarHBondContact OE2-NZ 2.72Å
198V97.8Very high95.6Very high15 Ų1561.2 Ų61.29%0.09134%0.336CS..Hα-helixtrans-93.2-43.8-178.3175.40000112.3N194 M195 C196 L207 V213 F215 M414N194-V198 PolarHBondContact O-N 2.94Å; M195-V198 PolarHBondContact O-N 3.32Å; C196-V198 PolarHBondContact O-N 2.91Å; V198-L207 WeakPolarHBondContact O-CD1 3.3Å; V198-V213 HydrophobicContact CG1-CG2 3.92Å; V198-F215 HydrophobicContact CG1-CD1 3.72Å; V198-F215 HydrophobicContact CG1-CE1 3.55Å; V198-F215 HydrophobicContact CG1-CE2 4.46Å; V198-F215 HydrophobicContact CG1-CG 4.27Å; V198-F215 HydrophobicContact CG1-CZ 3.95Å; V198-M414 HydrophobicContact CB-CE 4.17Å; V198-M414 HydrophobicContact CG1-CE 4.43Å; V198-M414 HydrophobicContact CG2-CE 3.91Å; V198-M414 HydrophobicContact CG2-SD 3.8Å
199F98.3Very high95.7Very high0 Ų063.8 Ų63.80%034%0.343CS..Hα-helixtrans-109.19.5-168.3-58.7-65.5000114.2A83 L178 I182 I189 M195 I206 L207 V213 F215 F409 M414 I421A83-F199 HydrophobicContact CB-CZ 4.28Å; L178-F199 HydrophobicContact CD1-CE1 4.21Å; L178-F199 HydrophobicContact CD2-CE1 4.46Å; I182-F199 HydrophobicContact CD1-CB 4.39Å; I182-F199 HydrophobicContact CD1-CD1 3.66Å; I182-F199 HydrophobicContact CD1-CE1 4.36Å; I182-F199 HydrophobicContact CD1-CG 4.34Å; I182-F199 HydrophobicContact CG1-CB 4.45Å; I182-F199 HydrophobicContact CG1-CD1 4.03Å; I182-F199 HydrophobicContact CG1-CG 4.37Å; I189-F199 HydrophobicContact CD1-CB 4.35Å; I189-F199 HydrophobicContact CG2-CB 3.77Å; M195-F199 HydrophobicContact CE-CD2 4.09Å; M195-F199 HydrophobicContact CE-CE2 3.98Å; M195-F199 WeakPolarHBondContact O-CB 3.24Å; M195-F199 WeakPolarHBondContact O-CD2 3.28Å; M195-F199 PolarHBondContact O-N 3.33Å; M195-F199 HydrophobicContact SD-CD2 4.22Å; M195-F199 HydrophobicContact SD-CE2 4.01Å; F199-I206 WeakPolarHBondContact O-CA 3.29Å; F199-L207 PolarHBondContact O-N 2.79Å; F199-V213 HydrophobicContact CD1-CG2 4.26Å; F199-V213 HydrophobicContact CE1-CG2 4.26Å; F199-F215 HydrophobicContact CE1-CE1 4.16Å; F199-F215 AromaticContact CE1-CZ 3.83Å; F199-F215 HydrophobicContact CE1-CZ 3.83Å; F199-F215 AromaticContact CZ-CE1 3.76Å; F199-F215 HydrophobicContact CZ-CE1 3.76Å; F199-F215 AromaticContact CZ-CZ 3.88Å; F199-F215 HydrophobicContact CZ-CZ 3.88Å; F199-F409 HydrophobicContact CD2-CE1 4.34Å; F199-F409 HydrophobicContact CE1-CE1 4.23Å; F199-F409 HydrophobicContact CE2-CD1 4.19Å; F199-F409 AromaticContact CE2-CE1 3.76Å; F199-F409 HydrophobicContact CE2-CE1 3.76Å; F199-F409 HydrophobicContact CZ-CD1 4.38Å; F199-F409 AromaticContact CZ-CE1 3.69Å; F199-F409 HydrophobicContact CZ-CE1 3.69Å; F199-M414 HydrophobicContact CE2-CE 3.82Å; F199-I421 HydrophobicContact CE2-CD1 4.03Å; F199-I421 HydrophobicContact CZ-CD1 4.14Å
200C98.2Very high95.7Very high12 Ų1269.3 Ų69.38%0.08137%0.373CS..BIsolated β-bridgetrans-118.7158.4169-53.70000112.3C196 R205C196-C200 WeakPolarHBondContact CA-SG 3.33Å; C196-C200 HydrophobicContact CB-CB 4.09Å; C196-C200 WeakPolarHBondContact CB-SG 3.3Å; C196-C200 WeakPolarHBondContact O-CA 3.36Å; C196-C200 WeakPolarHBondContact O-CB 3.31Å; C196-C200 PolarHBondContact O-N 3.2Å; C196-C200 WeakPolarHBondContact SG-CB 3.09Å; C196-C200 CovalentContact SG-SG 2.06Å; C196-C200 PolarHBondContact SG-SG 3.03Å; C200-R205 CarbonylContact C-O 3.39Å; C200-R205 WeakPolarHBondContact CA-O 3.32Å; C200-R205 WeakPolarHBondContact CB-O 3.32Å
201D96.4Very high95.9Very high48 Ų4868 Ų6826%0.25737%0.369SS..  trans-78.6179.4166.471.210.7000112.1E203 K204 R205 L207D201-E203 PolarHBondContact O-N 2.79Å; D201-E203 VanDerWaalsContact O-N 3.11Å; D201-E203 VanDerWaalsContact OD1-C 3.29Å; D201-E203 VanDerWaalsContact OD1-CA 3.31Å; D201-E203 WeakPolarHBondContact OD1-CA 3.23Å; D201-E203 WeakPolarHBondContact OD1-CB 3.24Å; D201-E203 PolarHBondContact OD1-N 3.16Å; D201-K204 PolarHBondContact O-N 3.44Å; D201-K204 PolarHBondContact OD1-N 3.2Å; D201-K204 VanDerWaalsContact OD1-N 3.12Å; D201-R205 PolarHBondContact N-O 3.45Å; D201-R205 WeakPolarHBondContact OD1-CB 3.35Å; D201-R205 PolarHBondContact OD1-N 3.48Å; D201-R205 IonicContact OD1-NE 3.2Å; D201-R205 IonicContact OD2-CZ 3.47Å; D201-R205 IonicContact OD2-NE 2.83Å; D201-R205 PolarHBondContact OD2-NE 2.88Å; D201-R205 IonicContact OD2-NH2 3.88Å; D201-R205 PolarHBondContact OD2-NH2 3.02Å; D201-L207 HydrophobicContact CB-CD2 4.16Å
202S93.3Very high96.2Very high125 Ų12569.4 Ų69.487%0.87436%0.359SS*.THydrogen-bonded Turntrans-61.5-18.2178.155.60000114.3K204S202-K204 VanDerWaalsContact C-N 3.34Å
203E94.6Very high96.5Very high124 Ų12467.4 Ų67.458%0.57935%0.348SS*.THydrogen-bonded Turntrans-94.610175.5-65.2176.5-13300112.1D201 R205D201-E203 PolarHBondContact O-N 2.79Å; D201-E203 VanDerWaalsContact O-N 3.11Å; D201-E203 VanDerWaalsContact OD1-C 3.29Å; D201-E203 VanDerWaalsContact OD1-CA 3.31Å; D201-E203 WeakPolarHBondContact OD1-CA 3.23Å; D201-E203 WeakPolarHBondContact OD1-CB 3.24Å; D201-E203 PolarHBondContact OD1-N 3.16Å; E203-R205 HydrophobicContact CB-CG 4.2Å; E203-R205 PolarHBondContact O-N 2.65Å; E203-R205 IonicContact OE1-CZ 2.63Å; E203-R205 IonicContact OE1-NH1 2.93Å; E203-R205 PolarHBondContact OE1-NH1 3.01Å; E203-R205 IonicContact OE1-NH2 3.59Å; E203-R205 PolarHBondContact OE1-NH2 2.83Å; E203-R205 IonicContact OE2-CZ 3.95Å; E203-R205 IonicContact OE2-NE 3.55Å; E203-R205 IonicContact OE2-NH1 2.84Å; E203-R205 PolarHBondContact OE2-NH1 2.79Å; E203-R205 IonicContact OE2-NH2 2.7Å; E203-R205 PolarHBondContact OE2-NH2 3.01Å
204K94.4Very high96.8Very high156 Ų15668.8 Ų68.868%0.67834%0.339SS*.SBendtrans61.525-176.5-53.9-172.3176.6-172.20114Q190 D201 S202Q190-K204 PolarHBondContact NE2-O 3.03Å; D201-K204 PolarHBondContact O-N 3.44Å; D201-K204 PolarHBondContact OD1-N 3.2Å; D201-K204 VanDerWaalsContact OD1-N 3.12Å; S202-K204 VanDerWaalsContact C-N 3.34Å
205R96.6Very high97Very high126 Ų12667.3 Ų67.348%0.47533%0.331SS..PPolyproline II helixtrans-90.5139.7171.8-54.3178.7-61.7-143.1-12.9108.7C200 D201 E203C200-R205 CarbonylContact C-O 3.39Å; C200-R205 WeakPolarHBondContact CA-O 3.32Å; C200-R205 WeakPolarHBondContact CB-O 3.32Å; D201-R205 PolarHBondContact N-O 3.45Å; D201-R205 WeakPolarHBondContact OD1-CB 3.35Å; D201-R205 PolarHBondContact OD1-N 3.48Å; D201-R205 IonicContact OD1-NE 3.2Å; D201-R205 IonicContact OD2-CZ 3.47Å; D201-R205 IonicContact OD2-NE 2.83Å; D201-R205 PolarHBondContact OD2-NE 2.88Å; D201-R205 IonicContact OD2-NH2 3.88Å; D201-R205 PolarHBondContact OD2-NH2 3.02Å; E203-R205 HydrophobicContact CB-CG 4.2Å; E203-R205 PolarHBondContact O-N 2.65Å; E203-R205 IonicContact OE1-CZ 2.63Å; E203-R205 IonicContact OE1-NH1 2.93Å; E203-R205 PolarHBondContact OE1-NH1 3.01Å; E203-R205 IonicContact OE1-NH2 3.59Å; E203-R205 PolarHBondContact OE1-NH2 2.83Å; E203-R205 IonicContact OE2-CZ 3.95Å; E203-R205 IonicContact OE2-NE 3.55Å; E203-R205 IonicContact OE2-NH1 2.84Å; E203-R205 PolarHBondContact OE2-NH1 2.79Å; E203-R205 IonicContact OE2-NH2 2.7Å; E203-R205 PolarHBondContact OE2-NH2 3.01Å
206I98Very high97Very high29 Ų2970.2 Ų70.215%0.14935%0.35CS..BIsolated β-bridgetrans-58.2139.4177.855.4164000112.1I182 F183 K186 I189 Q190 F199I182-I206 HydrophobicContact CG2-CB 3.71Å; I182-I206 HydrophobicContact CG2-CD1 4.25Å; I182-I206 HydrophobicContact CG2-CG2 4.07Å; F183-I206 HydrophobicContact CB-CD1 4.45Å; F183-I206 HydrophobicContact CD2-CD1 4.24Å; K186-I206 HydrophobicContact CB-CD1 4.01Å; K186-I206 HydrophobicContact CB-CG2 4.15Å; I189-I206 HydrophobicContact CG2-CG2 4.25Å; Q190-I206 HydrophobicContact CG-CG2 3.93Å; F199-I206 WeakPolarHBondContact O-CA 3.29Å
207L98.3Very high97.1Very high18 Ų1872.1 Ų72.19%0.09436%0.356CS..PPolyproline II helixtrans-67.4153.3172.1-60.5179.1000110.9I174 V198 F199 D201 D211 V213I174-L207 HydrophobicContact CD1-CB 3.41Å; I174-L207 VanDerWaalsContact CD1-CB 3.41Å; I174-L207 HydrophobicContact CD1-CD1 3.91Å; I174-L207 HydrophobicContact CD1-CG 4.31Å; V198-L207 WeakPolarHBondContact O-CD1 3.3Å; F199-L207 PolarHBondContact O-N 2.79Å; D201-L207 HydrophobicContact CB-CD2 4.16Å; L207-D211 HydrophobicContact CB-CB 4.21Å; L207-D211 HydrophobicContact CD2-CB 4.19Å; L207-V213 HydrophobicContact CD1-CB 4.24Å; L207-V213 HydrophobicContact CD1-CG2 4.34Å
208K97.6Very high97.3Very high142 Ų14267.5 Ų67.562%0.61734%0.335SS*.  trans-122.8173.4-175.7-59178.1-172.2170.40110.9N210 D211K208-N210 PolarHBondContact O-N 2.59Å; K208-D211 PolarHBondContact N-OD2 3.38Å; K208-D211 WeakPolarHBondContact O-CB 3.48Å; K208-D211 PolarHBondContact O-N 3.1Å
209E96.5Very high97.3Very high95 Ų9566.8 Ų66.844%0.44433%0.331SS..THydrogen-bonded Turntrans-52.8135.2174.2-169.7-179.7173.900110.9A179 D211A179-E209 HydrophobicContact CB-CB 3.78Å; E209-D211 PolarHBondContact O-N 3.49Å
210N96.6Very high97.3Very high117 Ų11772.6 Ų72.663%0.62636%0.358SS*.THydrogen-bonded Turntrans71.5-7.6-173.9-50.2-68.3000117I174 K208I174-N210 PolarHBondContact O-N 3.42Å; K208-N210 PolarHBondContact O-N 2.59Å
211D98.2Very high97.3Very high68 Ų6872.3 Ų72.336%0.36436%0.356SS..SBendtrans-64.7150.7167.4-67.8-24.3000109.7P173 I174 L207 K208 E209P173-D211 CarbonylContact C-O 3.4Å; P173-D211 WeakPolarHBondContact CA-O 3.4Å; I174-D211 HydrophobicContact CD1-CB 4.39Å; I174-D211 WeakPolarHBondContact CG1-O 3.39Å; I174-D211 PolarHBondContact N-O 3.1Å; L207-D211 HydrophobicContact CB-CB 4.21Å; L207-D211 HydrophobicContact CD2-CB 4.19Å; K208-D211 PolarHBondContact N-OD2 3.38Å; K208-D211 WeakPolarHBondContact O-CB 3.48Å; K208-D211 PolarHBondContact O-N 3.1Å; E209-D211 PolarHBondContact O-N 3.49Å
212I98.1Very high97.5Very high99 Ų9970.1 Ų70.151%0.50834%0.344SS..EExtended strand (participates in β ladder)trans-85.3118.6178.7-56.9-58.1000109.5F172 P173F172-I212 WeakPolarHBondContact O-CA 3.27Å; P173-I212 HydrophobicContact CB-CD1 4.18Å
213V98.4Very high97.7Very high0 Ų066.5 Ų66.50%031%0.313CS..EExtended strand (participates in β ladder)trans-98.8146.5172.363.20000110.5G171 F172 I174 V198 F199 L207 F215G171-V213 CarbonylContact C-O 3.58Å; G171-V213 WeakPolarHBondContact CA-O 3.28Å; F172-V213 HydrophobicContact CD2-CG1 3.91Å; F172-V213 HydrophobicContact CE1-CG1 4.16Å; F172-V213 HydrophobicContact CE2-CG1 3.5Å; F172-V213 VanDerWaalsContact CE2-CG1 3.5Å; F172-V213 HydrophobicContact CG-CG1 4.4Å; F172-V213 HydrophobicContact CZ-CG1 3.64Å; F172-V213 PolarHBondContact N-O 2.99Å; F172-V213 VanDerWaalsContact N-O 3.11Å; F172-V213 PolarHBondContact O-N 3.02Å; I174-V213 HydrophobicContact CD1-CB 3.98Å; I174-V213 HydrophobicContact CD1-CG1 4.43Å; I174-V213 HydrophobicContact CG1-CB 3.71Å; I174-V213 HydrophobicContact CG1-CG1 3.63Å; V198-V213 HydrophobicContact CG1-CG2 3.92Å; F199-V213 HydrophobicContact CD1-CG2 4.26Å; F199-V213 HydrophobicContact CE1-CG2 4.26Å; L207-V213 HydrophobicContact CD1-CB 4.24Å; L207-V213 HydrophobicContact CD1-CG2 4.34Å; V213-F215 HydrophobicContact CB-CE2 4.42Å; V213-F215 HydrophobicContact CG1-CE2 3.95Å; V213-F215 HydrophobicContact CG2-CD2 4.26Å; V213-F215 HydrophobicContact CG2-CE2 3.61Å; V213-F215 HydrophobicContact CG2-CZ 3.99Å
214K98.3Very high97.9Very high110 Ų11064.5 Ų64.548%0.47830%0.3SS..  trans-132.7147.3175.8-62.9-172.7-179.6-159.80110.4D170 P216D170-K214 WeakPolarHBondContact O-CE 3.31Å; K214-P216 VanDerWaalsContact C-CD 3.48Å; K214-P216 WeakPolarHBondContact O-CD 3.45Å
215F98.4Very high98.1Very high5 Ų557 Ų572%0.02227%0.268CS..  trans-125.766178.5-62.9-101.5000110.2L80 A83 A168 F172 V198 F199 V213 K217 L218 A219L80-F215 HydrophobicContact CD2-CB 4.24Å; L80-F215 HydrophobicContact CD2-CD2 4Å; L80-F215 HydrophobicContact CD2-CE2 4.49Å; L80-F215 HydrophobicContact CD2-CG 4.02Å; A83-F215 HydrophobicContact CB-CE1 3.98Å; A83-F215 HydrophobicContact CB-CZ 3.86Å; A168-F215 HydrophobicContact CB-CB 4.08Å; A168-F215 CarbonylContact O-C 3.25Å; A168-F215 PolarHBondContact O-N 2.99Å; F172-F215 HydrophobicContact CE1-CD2 4.09Å; F172-F215 AromaticContact CE1-CE2 3.92Å; F172-F215 HydrophobicContact CE1-CE2 3.92Å; F172-F215 HydrophobicContact CZ-CD2 4.27Å; F172-F215 AromaticContact CZ-CE2 3.63Å; F172-F215 HydrophobicContact CZ-CE2 3.63Å; V198-F215 HydrophobicContact CG1-CD1 3.72Å; V198-F215 HydrophobicContact CG1-CE1 3.55Å; V198-F215 HydrophobicContact CG1-CE2 4.46Å; V198-F215 HydrophobicContact CG1-CG 4.27Å; V198-F215 HydrophobicContact CG1-CZ 3.95Å; F199-F215 HydrophobicContact CE1-CE1 4.16Å; F199-F215 AromaticContact CE1-CZ 3.83Å; F199-F215 HydrophobicContact CE1-CZ 3.83Å; F199-F215 AromaticContact CZ-CE1 3.76Å; F199-F215 HydrophobicContact CZ-CE1 3.76Å; F199-F215 AromaticContact CZ-CZ 3.88Å; F199-F215 HydrophobicContact CZ-CZ 3.88Å; V213-F215 HydrophobicContact CB-CE2 4.42Å; V213-F215 HydrophobicContact CG1-CE2 3.95Å; V213-F215 HydrophobicContact CG2-CD2 4.26Å; V213-F215 HydrophobicContact CG2-CE2 3.61Å; V213-F215 HydrophobicContact CG2-CZ 3.99Å; F215-K217 PolarHBondContact O-N 2.74Å; F215-L218 HydrophobicContact CB-CB 3.88Å; F215-L218 HydrophobicContact CB-CD2 4.41Å; F215-L218 HydrophobicContact CD1-CD2 4.24Å; F215-L218 PolarHBondContact O-N 3.43Å; F215-A219 PolarHBondContact O-N 3.14Å
216P97.4Very high98.2Very high61 Ų6151.3 Ų51.340%0.39625%0.248SC..Hα-helixtrans-59.8-46.3-170.222.6-33.2000113.1K214 L218 A219 E220K214-P216 VanDerWaalsContact C-CD 3.48Å; K214-P216 WeakPolarHBondContact O-CD 3.45Å; P216-L218 PolarHBondContact O-N 2.71Å; P216-A219 WeakPolarHBondContact O-CB 3.4Å; P216-A219 PolarHBondContact O-N 3.4Å; P216-E220 PolarHBondContact O-N 3.36Å; P216-E220 VanDerWaalsContact O-N 3.15Å
217K98.2Very high98.3Very high55 Ų5553.9 Ų53.924%0.23926%0.262CS..Hα-helixtrans-64.3-40.3177.9-66.8172.5177.3166.70112.2E197 F215 A219 E220 T221 R416 T418E197-K217 IonicContact OE1-NZ 3.9Å; E197-K217 IonicContact OE2-NZ 2.88Å; E197-K217 PolarHBondContact OE2-NZ 2.72Å; F215-K217 PolarHBondContact O-N 2.74Å; K217-A219 VanDerWaalsContact C-N 3.31Å; K217-A219 PolarHBondContact O-N 3.22Å; K217-E220 WeakPolarHBondContact O-CB 3.3Å; K217-E220 PolarHBondContact O-N 3Å; K217-T221 PolarHBondContact O-N 3.27Å; K217-T221 PolarHBondContact O-OG1 2.97Å; K217-T221 VanDerWaalsContact O-OG1 3.1Å; K217-R416 WeakPolarHBondContact CD-O 3.41Å; K217-R416 WeakPolarHBondContact CE-O 3.47Å; K217-R416 PolarHBondContact NZ-O 2.99Å; K217-T418 CarbonylContact C-O 3.55Å; K217-T418 VanDerWaalsContact C-O 3.23Å
218L98.7Very high98.3Very high12 Ų1258.3 Ų58.36%0.06328%0.282CS..Hα-helixtrans-68.4-32.6176.5-170.158.6000111.6L80 I88 F215 P216 E220 T221 Y222 T418 I420L80-L218 HydrophobicContact CD2-CD2 3.63Å; L80-L218 HydrophobicContact CD2-CG 4.48Å; I88-L218 HydrophobicContact CD1-CD1 3.97Å; I88-L218 HydrophobicContact CG1-CD1 4.32Å; F215-L218 HydrophobicContact CB-CB 3.88Å; F215-L218 HydrophobicContact CB-CD2 4.41Å; F215-L218 HydrophobicContact CD1-CD2 4.24Å; F215-L218 PolarHBondContact O-N 3.43Å; P216-L218 PolarHBondContact O-N 2.71Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 3.36Å; L218-T221 HydrophobicContact CD1-CG2 4.49Å; L218-T221 PolarHBondContact O-N 3.32Å; L218-Y222 HydrophobicContact CD1-CD1 4.18Å; L218-Y222 HydrophobicContact CD1-CE1 3.84Å; L218-Y222 HydrophobicContact CD2-CE2 4.37Å; L218-Y222 HydrophobicContact CG-CD1 4.44Å; L218-Y222 HydrophobicContact CG-CD2 4.47Å; L218-Y222 HydrophobicContact CG-CE1 4.12Å; L218-Y222 HydrophobicContact CG-CE2 4.15Å; L218-Y222 WeakPolarHBondContact O-CB 3.38Å; L218-Y222 PolarHBondContact O-N 2.94Å; L218-T418 WeakPolarHBondContact CA-O 2.98Å; L218-T418 PolarHBondContact N-O 3.05Å; L218-I420 HydrophobicContact CD1-CG1 4.22Å
219A98.8Very high98.3Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-62.7-40173.100000111.7A168 R169 F215 P216 K217 Q223A168-A219 HydrophobicContact CB-CB 3.61Å; R169-A219 HydrophobicContact CB-CB 4.02Å; F215-A219 PolarHBondContact O-N 3.14Å; P216-A219 WeakPolarHBondContact O-CB 3.4Å; P216-A219 PolarHBondContact O-N 3.4Å; K217-A219 VanDerWaalsContact C-N 3.31Å; K217-A219 PolarHBondContact O-N 3.22Å; A219-Q223 VanDerWaalsContact O-CB 3.3Å; A219-Q223 WeakPolarHBondContact O-CB 3.22Å; A219-Q223 PolarHBondContact O-N 2.91Å
220E98.7Very high98.4Very high123 Ų12348.6 Ų48.658%0.57524%0.244SC*.Hα-helixtrans-66.7-42.6173.4-68.1175.7-170.500111.6P216 K217 L218 Q223 R224P216-E220 PolarHBondContact O-N 3.36Å; P216-E220 VanDerWaalsContact O-N 3.15Å; K217-E220 WeakPolarHBondContact O-CB 3.3Å; K217-E220 PolarHBondContact O-N 3Å; L218-E220 VanDerWaalsContact C-N 3.32Å; L218-E220 PolarHBondContact O-N 3.36Å; E220-Q223 WeakPolarHBondContact O-CB 3.48Å; E220-Q223 PolarHBondContact O-N 2.89Å; E220-R224 WeakPolarHBondContact O-CG 3.24Å; E220-R224 PolarHBondContact O-N 3.24Å
221T98.8Very high98.4Very high6 Ų647 Ų474%0.03724%0.235CC..Hα-helixtrans-59.6-49174.6-61.90000111.6I88 K217 L218 Q223 R224 I225 M238 T418 I420I88-T221 HydrophobicContact CD1-CG2 4.02Å; K217-T221 PolarHBondContact O-N 3.27Å; K217-T221 PolarHBondContact O-OG1 2.97Å; K217-T221 VanDerWaalsContact O-OG1 3.1Å; L218-T221 HydrophobicContact CD1-CG2 4.49Å; L218-T221 PolarHBondContact O-N 3.32Å; T221-Q223 VanDerWaalsContact C-N 3.33Å; T221-Q223 PolarHBondContact O-N 2.85Å; T221-R224 PolarHBondContact O-N 3.42Å; T221-I225 HydrophobicContact CG2-CD1 3.91Å; T221-I225 WeakPolarHBondContact O-CG1 3.34Å; T221-I225 PolarHBondContact O-N 2.81Å; T221-M238 HydrophobicContact CG2-CE 4.38Å; T221-M238 HydrophobicContact CG2-SD 4.19Å; T221-T418 VanDerWaalsContact OG1-CA 3.27Å; T221-T418 WeakPolarHBondContact OG1-CA 3.29Å; T221-T418 WeakPolarHBondContact OG1-CB 3.44Å; T221-T418 PolarHBondContact OG1-O 3.39Å; T221-I420 HydrophobicContact CG2-CD1 4.21Å; T221-I420 HydrophobicContact CG2-CG1 4.35Å
222Y98.9Very high98.4Very high1 Ų144.5 Ų44.50%0.00422%0.223CC..Hα-helixtrans-60.7-41174.7-75.2-10.3000112L76 L80 I88 F161 L218 R224 I225 A226L76-Y222 HydrophobicContact CD2-CD1 4.46Å; L76-Y222 HydrophobicContact CD2-CE1 3.92Å; L80-Y222 HydrophobicContact CD1-CE2 4.29Å; L80-Y222 HydrophobicContact CD2-CE2 4.08Å; L80-Y222 HydrophobicContact CG-CE2 4.2Å; I88-Y222 HydrophobicContact CD1-CD1 4.06Å; I88-Y222 HydrophobicContact CD1-CE1 3.64Å; I88-Y222 HydrophobicContact CG1-CE1 4.02Å; I88-Y222 HydrophobicContact CG2-CE1 3.84Å; F161-Y222 HydrophobicContact CD1-CD1 4.32Å; F161-Y222 HydrophobicContact CD1-CG 4.26Å; F161-Y222 HydrophobicContact CE1-CD1 4.4Å; L218-Y222 HydrophobicContact CD1-CD1 4.18Å; L218-Y222 HydrophobicContact CD1-CE1 3.84Å; L218-Y222 HydrophobicContact CD2-CE2 4.37Å; L218-Y222 HydrophobicContact CG-CD1 4.44Å; L218-Y222 HydrophobicContact CG-CD2 4.47Å; L218-Y222 HydrophobicContact CG-CE1 4.12Å; L218-Y222 HydrophobicContact CG-CE2 4.15Å; L218-Y222 WeakPolarHBondContact O-CB 3.38Å; L218-Y222 PolarHBondContact O-N 2.94Å; Y222-R224 PolarHBondContact O-N 3.28Å; Y222-I225 PolarHBondContact O-N 3.48Å; Y222-A226 WeakPolarHBondContact O-CB 3.15Å; Y222-A226 PolarHBondContact O-N 3.47Å
223Q98.9Very high98.4Very high49 Ų4939.8 Ų39.823%0.22920%0.199CC..Hα-helixtrans-59.4-46.3176.6-173.566.666.500111.4I165 A219 E220 T221 A226 D227I165-Q223 HydrophobicContact CD1-CB 4.31Å; A219-Q223 VanDerWaalsContact O-CB 3.3Å; A219-Q223 WeakPolarHBondContact O-CB 3.22Å; A219-Q223 PolarHBondContact O-N 2.91Å; E220-Q223 WeakPolarHBondContact O-CB 3.48Å; E220-Q223 PolarHBondContact O-N 2.89Å; T221-Q223 VanDerWaalsContact C-N 3.33Å; T221-Q223 PolarHBondContact O-N 2.85Å; Q223-A226 WeakPolarHBondContact O-CB 3.48Å; Q223-A226 PolarHBondContact O-N 2.88Å; Q223-D227 WeakPolarHBondContact CG-OD2 3.22Å; Q223-D227 VanDerWaalsContact NE2-CG 3.32Å; Q223-D227 PolarHBondContact NE2-OD1 3.13Å; Q223-D227 PolarHBondContact NE2-OD2 2.62Å; Q223-D227 WeakPolarHBondContact O-CB 3.45Å; Q223-D227 VanDerWaalsContact O-CG 3.24Å; Q223-D227 PolarHBondContact O-N 2.99Å
224R98.6Very high98.4Very high82 Ų8239.8 Ų39.831%0.30920%0.199SC..Hα-helixtrans-64.3-44.9178-72.7-174.667.5-164.7-1.7112.5E220 T221 Y222 A226 D227 E228 T237 M238E220-R224 WeakPolarHBondContact O-CG 3.24Å; E220-R224 PolarHBondContact O-N 3.24Å; T221-R224 PolarHBondContact O-N 3.42Å; Y222-R224 PolarHBondContact O-N 3.28Å; R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 3.36Å; R224-D227 PolarHBondContact O-N 3.32Å; R224-E228 IonicContact CZ-OE1 2.86Å; R224-E228 IonicContact NE-OE1 2.8Å; R224-E228 PolarHBondContact NE-OE1 3.06Å; R224-E228 IonicContact NH2-OE1 3.98Å; R224-E228 IonicContact NH2-OE2 3.75Å; R224-E228 VanDerWaalsContact O-CB 3.31Å; R224-E228 WeakPolarHBondContact O-CB 3.29Å; R224-E228 PolarHBondContact O-N 2.97Å; R224-T237 PolarHBondContact NH2-OG1 3.27Å; R224-M238 HydrophobicContact CB-CE 3.46Å; R224-M238 VanDerWaalsContact CB-CE 3.46Å; R224-M238 HydrophobicContact CG-CE 4.27Å
225I98.8Very high98.3Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-62-36.6175.8-64.1164.9000111I88 I142 W157 F161 T221 Y222 G229 V232 F233 M238I88-I225 HydrophobicContact CD1-CD1 4Å; I142-I225 HydrophobicContact CD1-CD1 4.19Å; I142-I225 HydrophobicContact CD1-CG2 4.32Å; I142-I225 HydrophobicContact CG1-CD1 4.34Å; I142-I225 HydrophobicContact CG2-CG2 4.39Å; W157-I225 HydrophobicContact CZ2-CG2 4.04Å; W157-I225 PolarHBondContact NE1-O 3.26Å; F161-I225 HydrophobicContact CE1-CB 4.1Å; F161-I225 HydrophobicContact CE1-CG2 3.64Å; F161-I225 HydrophobicContact CE2-CG2 4.39Å; F161-I225 HydrophobicContact CZ-CB 4.48Å; F161-I225 HydrophobicContact CZ-CG2 3.56Å; T221-I225 HydrophobicContact CG2-CD1 3.91Å; T221-I225 WeakPolarHBondContact O-CG1 3.34Å; T221-I225 PolarHBondContact O-N 2.81Å; Y222-I225 PolarHBondContact O-N 3.48Å; I225-G229 CarbonylContact O-C 3.45Å; I225-G229 VanDerWaalsContact O-CA 3.24Å; I225-G229 WeakPolarHBondContact O-CA 3.44Å; I225-G229 PolarHBondContact O-N 3.28Å; I225-G229 VanDerWaalsContact O-N 3.08Å; I225-V232 HydrophobicContact CG1-CG2 3.99Å; I225-F233 HydrophobicContact CD1-CD2 4.02Å; I225-M238 HydrophobicContact CG1-CE 4.4Å; I225-M238 HydrophobicContact CG1-SD 4.26Å
226A98.8Very high98Very high6 Ų640.2 Ų40.25%0.0522%0.215CC..Hα-helixtrans-69.3-39.8178.100000112.4K158 F161 I165 Y222 Q223 R224K158-A226 HydrophobicContact CB-CB 4.43Å; K158-A226 WeakPolarHBondContact CB-O 3.49Å; K158-A226 HydrophobicContact CG-CB 4.04Å; F161-A226 HydrophobicContact CB-CB 3.61Å; F161-A226 HydrophobicContact CD1-CB 4.47Å; F161-A226 HydrophobicContact CD2-CB 4.22Å; F161-A226 HydrophobicContact CG-CB 3.85Å; I165-A226 HydrophobicContact CD1-CB 4.05Å; Y222-A226 WeakPolarHBondContact O-CB 3.15Å; Y222-A226 PolarHBondContact O-N 3.47Å; Q223-A226 WeakPolarHBondContact O-CB 3.48Å; Q223-A226 PolarHBondContact O-N 2.88Å; R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 3.36Å
227D98.6Very high98Very high83 Ų8341.7 Ų41.744%0.44422%0.223SC..Hα-helixtrans-83.5-41.8-175.6-70.2-28.9000113.4K158 Q223 R224K158-D227 WeakPolarHBondContact CD-OD1 3.45Å; K158-D227 WeakPolarHBondContact CE-OD1 3.2Å; K158-D227 IonicContact NZ-OD1 3.85Å; K158-D227 PolarHBondContact NZ-OD1 3.3Å; Q223-D227 WeakPolarHBondContact CG-OD2 3.22Å; Q223-D227 VanDerWaalsContact NE2-CG 3.32Å; Q223-D227 PolarHBondContact NE2-OD1 3.13Å; Q223-D227 PolarHBondContact NE2-OD2 2.62Å; Q223-D227 WeakPolarHBondContact O-CB 3.45Å; Q223-D227 VanDerWaalsContact O-CG 3.24Å; Q223-D227 PolarHBondContact O-N 2.99Å; R224-D227 PolarHBondContact O-N 3.32Å
228E98.4Very high97.9Very high111 Ų11139.2 Ų39.252%0.51921%0.212SC..Hα-helixtrans-100.3-11.6-172.2-56.9176.8-122.700112.3R224 V232R224-E228 IonicContact CZ-OE1 2.86Å; R224-E228 IonicContact NE-OE1 2.8Å; R224-E228 PolarHBondContact NE-OE1 3.06Å; R224-E228 IonicContact NH2-OE1 3.98Å; R224-E228 IonicContact NH2-OE2 3.75Å; R224-E228 VanDerWaalsContact O-CB 3.31Å; R224-E228 WeakPolarHBondContact O-CB 3.29Å; R224-E228 PolarHBondContact O-N 2.97Å; E228-V232 HydrophobicContact CB-CB 4.49Å; E228-V232 HydrophobicContact CB-CG1 3.32Å; E228-V232 HydrophobicContact CG-CG1 4.25Å
229G98.3Very high97.9Very high15 Ų1538.6 Ų38.616%0.15521%0.209CC..  trans92.2175.2-179.300000113.9I225 D231 V232I225-G229 CarbonylContact O-C 3.45Å; I225-G229 VanDerWaalsContact O-CA 3.24Å; I225-G229 WeakPolarHBondContact O-CA 3.44Å; I225-G229 PolarHBondContact O-N 3.28Å; I225-G229 VanDerWaalsContact O-N 3.08Å; G229-D231 VanDerWaalsContact C-N 3.28Å; G229-D231 PolarHBondContact O-N 3.13Å; G229-V232 VanDerWaalsContact O-CG2 3.31Å; G229-V232 WeakPolarHBondContact O-CG2 3.27Å
230P97.8Very high97.9Very high17 Ų1743.3 Ų43.311%0.1123%0.231CC..THydrogen-bonded Turntrans-66.1-26.1-173.825.8-34.8000113.9I142 E146 W157 V232 F233I142-P230 HydrophobicContact CG2-CB 3.63Å; E146-P230 HydrophobicContact CB-CB 3.89Å; E146-P230 HydrophobicContact CB-CG 3.81Å; E146-P230 HydrophobicContact CG-CB 4.19Å; E146-P230 HydrophobicContact CG-CG 3.58Å; E146-P230 WeakPolarHBondContact OE1-CG 3.47Å; W157-P230 HydrophobicContact CH2-CB 4.46Å; W157-P230 HydrophobicContact CZ2-CB 4.02Å; W157-P230 HydrophobicContact CZ2-CG 4.45Å; P230-V232 PolarHBondContact O-N 2.89Å; P230-F233 WeakPolarHBondContact O-CB 3.35Å; P230-F233 PolarHBondContact O-N 3.12Å
231D98.1Very high97.8Very high83 Ų8339.4 Ų39.444%0.44422%0.216SC..Hα-helixtrans-61-27.3-176.7-77.9-33000113.2R143 G229 F233 Y234 N235R143-D231 IonicContact CZ-OD1 3.65Å; R143-D231 VanDerWaalsContact CZ-OD1 3.29Å; R143-D231 IonicContact NH1-OD1 3.83Å; R143-D231 PolarHBondContact NH1-OD1 2.94Å; R143-D231 IonicContact NH2-OD1 2.71Å; R143-D231 PolarHBondContact NH2-OD1 3.47Å; G229-D231 VanDerWaalsContact C-N 3.28Å; G229-D231 PolarHBondContact O-N 3.13Å; D231-F233 PolarHBondContact O-N 3.27Å; D231-Y234 CarbonylContact O-C 3.34Å; D231-Y234 PolarHBondContact O-N 3.06Å; D231-N235 PolarHBondContact O-N 3.02Å
232V98Very high97.8Very high16 Ų1639.1 Ų39.110%0.09721%0.214CC..Hα-helixtrans-63.7-25.1179.8-57.50000113.3I225 E228 G229 P230 Y234 N235 M238 A239I225-V232 HydrophobicContact CG1-CG2 3.99Å; E228-V232 HydrophobicContact CB-CB 4.49Å; E228-V232 HydrophobicContact CB-CG1 3.32Å; E228-V232 HydrophobicContact CG-CG1 4.25Å; G229-V232 VanDerWaalsContact O-CG2 3.31Å; G229-V232 WeakPolarHBondContact O-CG2 3.27Å; P230-V232 PolarHBondContact O-N 2.89Å; V232-Y234 VanDerWaalsContact C-N 3.31Å; V232-N235 CarbonylContact C-O 3.54Å; V232-N235 WeakPolarHBondContact CA-O 3.48Å; V232-N235 VanDerWaalsContact O-O 3.13Å; V232-M238 HydrophobicContact CG2-CE 3.9Å; V232-M238 HydrophobicContact CG2-SD 4.03Å; V232-M238 VanDerWaalsContact O-CB 3.3Å; V232-M238 WeakPolarHBondContact O-CB 3.45Å; V232-A239 PolarHBondContact O-N 2.88Å
233F98.4Very high97.8Very high0 Ų039.5 Ų39.50%022%0.217CC..Hα-helixtrans-71-30.2176.1-170.7-80.9000111.9I88 P139 I142 I225 P230 D231 A239 I242 I420I88-F233 HydrophobicContact CB-CE2 4.47Å; I88-F233 HydrophobicContact CD1-CD2 4.42Å; I88-F233 HydrophobicContact CD1-CE2 3.96Å; I88-F233 HydrophobicContact CG1-CE2 4.37Å; I88-F233 VanDerWaalsContact O-CZ 3.31Å; I88-F233 WeakPolarHBondContact O-CZ 3.4Å; P139-F233 HydrophobicContact CB-CE1 4.09Å; P139-F233 HydrophobicContact CB-CZ 4.05Å; I142-F233 HydrophobicContact CB-CG 4.35Å; I142-F233 HydrophobicContact CG1-CD2 3.96Å; I142-F233 HydrophobicContact CG1-CE2 4.28Å; I142-F233 HydrophobicContact CG1-CG 4.17Å; I142-F233 HydrophobicContact CG2-CB 4.23Å; I225-F233 HydrophobicContact CD1-CD2 4.02Å; P230-F233 WeakPolarHBondContact O-CB 3.35Å; P230-F233 PolarHBondContact O-N 3.12Å; D231-F233 PolarHBondContact O-N 3.27Å; F233-A239 WeakPolarHBondContact O-CB 3.46Å; F233-I242 HydrophobicContact CD1-CD1 4.43Å; F233-I242 HydrophobicContact CD2-CD1 3.99Å; F233-I242 HydrophobicContact CE1-CD1 4.42Å; F233-I242 HydrophobicContact CE2-CD1 3.99Å; F233-I242 HydrophobicContact CG-CD1 4.23Å; F233-I242 HydrophobicContact CZ-CD1 4.21Å; F233-I420 HydrophobicContact CD2-CD1 4.34Å; F233-I420 HydrophobicContact CE2-CD1 3.54Å; F233-I420 HydrophobicContact CZ-CD1 4.22Å
234Y98.3Very high97.8Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-113.1-12.6-170.7-62.7-79000113.8P139 I142 R143 D231 V232 L258 Y261P139-Y234 VanDerWaalsContact O-CE1 3.29Å; P139-Y234 WeakPolarHBondContact O-CE1 3.38Å; P139-Y234 PolarHBondContact O-OH 3.49Å; I142-Y234 HydrophobicContact CB-CE2 3.77Å; I142-Y234 HydrophobicContact CG2-CE2 3.87Å; R143-Y234 HydrophobicContact CB-CE2 4.14Å; R143-Y234 HydrophobicContact CG-CD1 4.41Å; R143-Y234 HydrophobicContact CG-CD2 3.85Å; R143-Y234 HydrophobicContact CG-CE1 4.03Å; R143-Y234 HydrophobicContact CG-CE2 3.43Å; R143-Y234 VanDerWaalsContact CG-CE2 3.43Å; R143-Y234 HydrophobicContact CG-CG 4.33Å; R143-Y234 PolarHBondContact N-OH 3.1Å; D231-Y234 CarbonylContact O-C 3.34Å; D231-Y234 PolarHBondContact O-N 3.06Å; V232-Y234 VanDerWaalsContact C-N 3.31Å; Y234-L258 HydrophobicContact CD1-CB 4.35Å; Y234-L258 HydrophobicContact CD1-CD2 4.38Å; Y234-L258 VanDerWaalsContact CD1-O 3.22Å; Y234-L258 WeakPolarHBondContact CD1-O 3.44Å; Y234-Y261 HydrophobicContact CE1-CD1 4.18Å
235N94.7Very high97.8Very high88 Ų8837.8 Ų37.847%0.47121%0.212SC..SBendtrans-142.8153.7179.1-169.23.9000111.1D231 V232 A239 L259D231-N235 PolarHBondContact O-N 3.02Å; V232-N235 CarbonylContact C-O 3.54Å; V232-N235 WeakPolarHBondContact CA-O 3.48Å; V232-N235 VanDerWaalsContact O-O 3.13Å; N235-A239 VanDerWaalsContact N-CB 3.32Å; N235-L259 HydrophobicContact CB-CD1 4.04Å
236G93.7Very high97.8Very high37 Ų3737.8 Ų37.838%0.38121%0.212SC..Hα-helixtrans80.7-155.7176.600000113.9M238 A239 Q240G236-M238 PolarHBondContact O-N 2.86Å; G236-A239 PolarHBondContact O-N 3.03Å; G236-Q240 PolarHBondContact O-N 2.7Å
237T96Very high97.7Very high91 Ų9142 Ų4256%0.55823%0.231SC*.Hα-helixtrans-68.1-38.7-166.656.70000113.4R224 Q240 T241R224-T237 PolarHBondContact NH2-OG1 3.27Å; T237-Q240 PolarHBondContact O-N 2.95Å; T237-T241 PolarHBondContact O-N 3Å; T237-T241 PolarHBondContact O-OG1 3.37Å
238M97.6Very high97.7Very high3 Ų341.7 Ų41.72%0.01524%0.24CC..Hα-helixtrans-67.8-44.6177.8173.5-169.8-56.800111T221 R224 I225 V232 G236 Q240 T241 I242 T418T221-M238 HydrophobicContact CG2-CE 4.38Å; T221-M238 HydrophobicContact CG2-SD 4.19Å; R224-M238 HydrophobicContact CB-CE 3.46Å; R224-M238 VanDerWaalsContact CB-CE 3.46Å; R224-M238 HydrophobicContact CG-CE 4.27Å; I225-M238 HydrophobicContact CG1-CE 4.4Å; I225-M238 HydrophobicContact CG1-SD 4.26Å; V232-M238 HydrophobicContact CG2-CE 3.9Å; V232-M238 HydrophobicContact CG2-SD 4.03Å; V232-M238 VanDerWaalsContact O-CB 3.3Å; V232-M238 WeakPolarHBondContact O-CB 3.45Å; G236-M238 PolarHBondContact O-N 2.86Å; M238-Q240 VanDerWaalsContact C-N 3.31Å; M238-Q240 PolarHBondContact O-N 3.34Å; M238-T241 PolarHBondContact O-N 3.29Å; M238-T241 VanDerWaalsContact O-N 3.13Å; M238-I242 HydrophobicContact CG-CD1 3.94Å; M238-I242 HydrophobicContact CG-CG1 4.42Å; M238-I242 WeakPolarHBondContact O-CG1 3.35Å; M238-I242 PolarHBondContact O-N 3.42Å; M238-T418 HydrophobicContact CG-CG2 4.4Å
239A98.1Very high97.6Very high0 Ų038.1 Ų38.10%023%0.229CC..Hα-helixtrans-57.2-44174.100000112.1V232 F233 N235 G236 T241 I242 V243 L255 L258V232-A239 PolarHBondContact O-N 2.88Å; F233-A239 WeakPolarHBondContact O-CB 3.46Å; N235-A239 VanDerWaalsContact N-CB 3.32Å; G236-A239 PolarHBondContact O-N 3.03Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.12Å; A239-I242 PolarHBondContact O-N 2.94Å; A239-V243 WeakPolarHBondContact O-CG2 3.47Å; A239-V243 PolarHBondContact O-N 3.24Å; A239-L255 HydrophobicContact CB-CD1 3.74Å; A239-L258 HydrophobicContact CB-CD1 4.14Å
240Q98.1Very high97.6Very high98 Ų9839.6 Ų39.646%0.45825%0.245SC..Hα-helixtrans-58.3-46.2174.3-177179.1-7.800111.7G236 T237 M238 I242 V243 E244G236-Q240 PolarHBondContact O-N 2.7Å; T237-Q240 PolarHBondContact O-N 2.95Å; M238-Q240 VanDerWaalsContact C-N 3.31Å; M238-Q240 PolarHBondContact O-N 3.34Å; Q240-I242 PolarHBondContact O-N 3.39Å; Q240-V243 PolarHBondContact O-N 2.86Å; Q240-E244 HydrophobicContact CG-CG 4.49Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.42Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.36Å; Q240-E244 PolarHBondContact O-N 3.2Å
241T97.6Very high97.6Very high42 Ų4239.3 Ų39.326%0.25825%0.245SC..Hα-helixtrans-66.7-35.5179.1-47.30000112.8T237 M238 A239 E244 D245 S417T237-T241 PolarHBondContact O-N 3Å; T237-T241 PolarHBondContact O-OG1 3.37Å; M238-T241 PolarHBondContact O-N 3.29Å; M238-T241 VanDerWaalsContact O-N 3.13Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.12Å; T241-E244 PolarHBondContact O-N 3.32Å; T241-D245 WeakPolarHBondContact O-CB 3.27Å; T241-D245 PolarHBondContact O-N 3.08Å; T241-S417 VanDerWaalsContact CG2-OG 3.23Å; T241-S417 WeakPolarHBondContact CG2-OG 3.22Å
242I98.5Very high97.6Very high0 Ų037.4 Ų37.40%023%0.234CC..Hα-helixtrans-60-49.2173.5-72.3167.1000110F233 M238 A239 Q240 D245 I246 L258 T418 I420 F422F233-I242 HydrophobicContact CD1-CD1 4.43Å; F233-I242 HydrophobicContact CD2-CD1 3.99Å; F233-I242 HydrophobicContact CE1-CD1 4.42Å; F233-I242 HydrophobicContact CE2-CD1 3.99Å; F233-I242 HydrophobicContact CG-CD1 4.23Å; F233-I242 HydrophobicContact CZ-CD1 4.21Å; M238-I242 HydrophobicContact CG-CD1 3.94Å; M238-I242 HydrophobicContact CG-CG1 4.42Å; M238-I242 WeakPolarHBondContact O-CG1 3.35Å; M238-I242 PolarHBondContact O-N 3.42Å; A239-I242 PolarHBondContact O-N 2.94Å; Q240-I242 PolarHBondContact O-N 3.39Å; I242-D245 PolarHBondContact O-N 2.86Å; I242-I246 HydrophobicContact CG2-CD1 3.76Å; I242-I246 WeakPolarHBondContact O-CG1 3.41Å; I242-I246 PolarHBondContact O-N 2.84Å; I242-L258 HydrophobicContact CB-CD1 4.34Å; I242-L258 HydrophobicContact CG2-CD1 4.02Å; I242-T418 HydrophobicContact CG1-CG2 3.99Å; I242-I420 HydrophobicContact CD1-CD1 3.96Å; I242-I420 HydrophobicContact CG1-CD1 4.2Å; I242-F422 HydrophobicContact CG2-CE1 3.99Å; I242-F422 HydrophobicContact CG2-CZ 4.02Å
243V98.6Very high97.6Very high9 Ų936.7 Ų36.76%0.05523%0.23CC..Hα-helixtrans-61.3-46.3178.4172.70000111.2A239 Q240 D245 I246 Q247 I253 L255 L258A239-V243 WeakPolarHBondContact O-CG2 3.47Å; A239-V243 PolarHBondContact O-N 3.24Å; Q240-V243 PolarHBondContact O-N 2.86Å; V243-D245 VanDerWaalsContact C-N 3.32Å; V243-D245 PolarHBondContact O-N 2.97Å; V243-I246 PolarHBondContact O-N 3Å; V243-Q247 HydrophobicContact CG1-CG 4.17Å; V243-Q247 VanDerWaalsContact CG1-NE2 3.35Å; V243-Q247 WeakPolarHBondContact O-CB 3.23Å; V243-Q247 VanDerWaalsContact O-CG 3.29Å; V243-Q247 WeakPolarHBondContact O-CG 3.44Å; V243-Q247 PolarHBondContact O-N 3.06Å; V243-I253 HydrophobicContact CG2-CG2 4.43Å; V243-L255 HydrophobicContact CG2-CD1 4.45Å; V243-L258 HydrophobicContact CG2-CD1 3.52Å; V243-L258 HydrophobicContact CG2-CG 4.12Å
244E98.5Very high97.6Very high85 Ų8538.3 Ų38.340%0.39724%0.24SC..Hα-helixtrans-59.1-42.4178.3-74.7171.9-172.600112Q240 T241 A248Q240-E244 HydrophobicContact CG-CG 4.49Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.42Å; Q240-E244 PolarHBondContact NE2-OE1 3.39Å; Q240-E244 WeakPolarHBondContact O-CG 3.36Å; Q240-E244 PolarHBondContact O-N 3.2Å; T241-E244 PolarHBondContact O-N 3.32Å; E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.33Å; E244-A248 PolarHBondContact O-N 2.85Å
245D98.3Very high97.6Very high9 Ų941.5 Ų41.55%0.04826%0.257CS..Hα-helixtrans-69.2-38.7177.8-78.1-11.3000112.2T241 I242 V243 A249 S415 R416 S417T241-D245 WeakPolarHBondContact O-CB 3.27Å; T241-D245 PolarHBondContact O-N 3.08Å; I242-D245 PolarHBondContact O-N 2.86Å; V243-D245 VanDerWaalsContact C-N 3.32Å; V243-D245 PolarHBondContact O-N 2.97Å; D245-A249 PolarHBondContact O-N 2.98Å; D245-S415 WeakPolarHBondContact OD2-CB 3.49Å; D245-S415 PolarHBondContact OD2-OG 2.82Å; D245-R416 VanDerWaalsContact OD1-CG 3.31Å; D245-R416 WeakPolarHBondContact OD1-CG 3.14Å; D245-R416 IonicContact OD1-CZ 3.63Å; D245-R416 IonicContact OD1-NE 3.09Å; D245-R416 PolarHBondContact OD1-NE 2.75Å; D245-R416 IonicContact OD1-NH2 3.83Å; D245-R416 PolarHBondContact OD2-N 3.23Å; D245-S417 PolarHBondContact OD1-OG 2.9Å; D245-S417 VanDerWaalsContact OD2-CB 3.22Å; D245-S417 WeakPolarHBondContact OD2-CB 3.13Å; D245-S417 PolarHBondContact OD2-N 3.27Å; D245-S417 VanDerWaalsContact OD2-N 3.09Å; D245-S417 PolarHBondContact OD2-OG 2.85Å
246I98.5Very high97.8Very high0 Ų042.3 Ų42.30%026%0.261CS..Hα-helixtrans-64.1-46.6174.7-71.4168.4000110.7I136 I242 V243 A249 G250 G251 I253 F422I136-I246 HydrophobicContact CD1-CG1 4.1Å; I136-I246 HydrophobicContact CD1-CG2 4.16Å; I136-I246 HydrophobicContact CG2-CD1 4.35Å; I242-I246 HydrophobicContact CG2-CD1 3.76Å; I242-I246 WeakPolarHBondContact O-CG1 3.41Å; I242-I246 PolarHBondContact O-N 2.84Å; V243-I246 PolarHBondContact O-N 3Å; I246-A249 CarbonylContact O-C 3.48Å; I246-A249 WeakPolarHBondContact O-CA 3.35Å; I246-A249 WeakPolarHBondContact O-CB 3.05Å; I246-A249 PolarHBondContact O-N 2.87Å; I246-A249 VanDerWaalsContact O-N 3.09Å; I246-G250 PolarHBondContact O-N 3.46Å; I246-G251 WeakPolarHBondContact O-CA 3.4Å; I246-G251 PolarHBondContact O-N 3.37Å; I246-I253 HydrophobicContact CD1-CD1 4.01Å; I246-I253 HydrophobicContact CG2-CB 4.1Å; I246-I253 HydrophobicContact CG2-CD1 4.28Å; I246-I253 HydrophobicContact CG2-CG1 4.47Å; I246-F422 HydrophobicContact CD1-CD1 4.2Å; I246-F422 HydrophobicContact CD1-CE1 3.84Å; I246-F422 HydrophobicContact CD1-CE2 4.4Å; I246-F422 HydrophobicContact CD1-CZ 3.95Å; I246-F422 HydrophobicContact CG1-CD1 4.36Å; I246-F422 HydrophobicContact CG1-CD2 4.05Å; I246-F422 HydrophobicContact CG1-CE1 4.05Å; I246-F422 HydrophobicContact CG1-CE2 3.68Å; I246-F422 HydrophobicContact CG1-CG 4.37Å; I246-F422 HydrophobicContact CG1-CZ 3.69Å
247Q98.4Very high98Very high95 Ų9540.7 Ų40.744%0.44424%0.244SC..Hα-helixtrans-67-36.5179.3-71.3178.5-5.200111.8V243 A249 G250 I253V243-Q247 HydrophobicContact CG1-CG 4.17Å; V243-Q247 VanDerWaalsContact CG1-NE2 3.35Å; V243-Q247 WeakPolarHBondContact O-CB 3.23Å; V243-Q247 VanDerWaalsContact O-CG 3.29Å; V243-Q247 WeakPolarHBondContact O-CG 3.44Å; V243-Q247 PolarHBondContact O-N 3.06Å; Q247-A249 PolarHBondContact O-N 2.92Å; Q247-G250 WeakPolarHBondContact O-CA 3.33Å; Q247-G250 PolarHBondContact O-N 3.5Å; Q247-I253 PolarHBondContact NE2-O 3.03Å
248A97.7Very high98.2Very high77 Ų7736.4 Ų36.464%0.63622%0.217SC*.Hα-helixtrans-61.8-26.6172.200000112.7E244 G250E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.33Å; E244-A248 PolarHBondContact O-N 2.85Å; A248-G250 VanDerWaalsContact C-N 3.3Å
249A96.6Very high98.2Very high35 Ų3539.8 Ų39.829%0.28924%0.235SC..THydrogen-bonded Turntrans-86.35.1172.300000113.8G133 D245 I246 Q247 V413G133-A249 WeakPolarHBondContact CA-O 3.16Å; G133-A249 PolarHBondContact N-O 3.28Å; D245-A249 PolarHBondContact O-N 2.98Å; I246-A249 CarbonylContact O-C 3.48Å; I246-A249 WeakPolarHBondContact O-CA 3.35Å; I246-A249 WeakPolarHBondContact O-CB 3.05Å; I246-A249 PolarHBondContact O-N 2.87Å; I246-A249 VanDerWaalsContact O-N 3.09Å; Q247-A249 PolarHBondContact O-N 2.92Å; A249-V413 HydrophobicContact CB-CB 4.43Å; A249-V413 HydrophobicContact CB-CG1 3.63Å; A249-V413 HydrophobicContact CB-CG2 3.88Å
250G97.3Very high98.1Very high47 Ų4746.2 Ų46.249%0.48527%0.265SS..THydrogen-bonded Turntrans87.217.5-179.600000114.6I246 Q247 A248I246-G250 PolarHBondContact O-N 3.46Å; Q247-G250 WeakPolarHBondContact O-CA 3.33Å; Q247-G250 PolarHBondContact O-N 3.5Å; A248-G250 VanDerWaalsContact C-N 3.3Å
251G98.1Very high98.1Very high10 Ų1041.8 Ų41.810%0.10324%0.244CC..  trans-80.9163.6175.800000113.6G133 I246G133-G251 WeakPolarHBondContact O-CA 3.36Å; I246-G251 WeakPolarHBondContact O-CA 3.4Å; I246-G251 PolarHBondContact O-N 3.37Å
252I98.4Very high98.2Very high43 Ų4344.8 Ų44.822%0.22126%0.255CS..  trans-115.23.9-173.259164.9000113.6P114 N116 A117 M121 L134P114-I252 HydrophobicContact CB-CD1 4.22Å; P114-I252 HydrophobicContact CB-CG1 4.07Å; P114-I252 HydrophobicContact CG-CD1 4.37Å; P114-I252 HydrophobicContact CG-CG1 4.05Å; N116-I252 HydrophobicContact CB-CB 4.25Å; N116-I252 HydrophobicContact CB-CD1 4.22Å; A117-I252 HydrophobicContact CB-CD1 4.06Å; M121-I252 HydrophobicContact CE-CD1 3.54Å; M121-I252 HydrophobicContact CE-CG1 4.37Å; M121-I252 HydrophobicContact SD-CD1 4.44Å; L134-I252 HydrophobicContact CD1-CD1 4.4Å; L134-I252 HydrophobicContact CD1-CG1 4.32Å; L134-I252 HydrophobicContact CD1-CG2 3.77Å
253I98.7Very high98.1Very high1 Ų145.2 Ų45.21%0.00526%0.258CS..  trans-63.5136.4174.4-69.1169.5000109.2P114 I136 I138 V243 I246 Q247 D257 L258P114-I253 HydrophobicContact CB-CG1 4.04Å; P114-I253 HydrophobicContact CG-CD1 4.3Å; P114-I253 HydrophobicContact CG-CG1 3.46Å; P114-I253 VanDerWaalsContact CG-CG1 3.46Å; I136-I253 HydrophobicContact CB-CD1 4.3Å; I136-I253 HydrophobicContact CG2-CD1 3.72Å; I138-I253 HydrophobicContact CG1-CD1 4.33Å; I138-I253 HydrophobicContact CG1-CG1 4.23Å; V243-I253 HydrophobicContact CG2-CG2 4.43Å; I246-I253 HydrophobicContact CD1-CD1 4.01Å; I246-I253 HydrophobicContact CG2-CB 4.1Å; I246-I253 HydrophobicContact CG2-CD1 4.28Å; I246-I253 HydrophobicContact CG2-CG1 4.47Å; Q247-I253 PolarHBondContact NE2-O 3.03Å; I253-D257 HydrophobicContact CG2-CB 4.07Å; I253-L258 HydrophobicContact CG2-CD2 4.47Å; I253-L258 HydrophobicContact CG2-CG 4.26Å
254T98.6Very high98.1Very high35 Ų3547.3 Ų47.322%0.21527%0.271CS..  trans-108.2172.6175.8660000111.1N116 D256 D257 L258N116-T254 WeakPolarHBondContact ND2-CG2 3.42Å; T254-D256 VanDerWaalsContact C-N 3.32Å; T254-D257 WeakPolarHBondContact CB-OD2 3.45Å; T254-D257 PolarHBondContact N-OD2 3.44Å; T254-D257 WeakPolarHBondContact O-CB 3.25Å; T254-D257 PolarHBondContact O-N 2.98Å; T254-D257 PolarHBondContact OG1-N 2.86Å; T254-D257 VanDerWaalsContact OG1-N 3.17Å; T254-D257 PolarHBondContact OG1-OD2 3.14Å; T254-L258 PolarHBondContact O-N 2.91Å
255L98.4Very high98.1Very high67 Ų6746 Ų4635%0.35127%0.266SS..Hα-helixtrans-68-35.7173.3-173.361.5000111.7A239 V243 D257 L258 L259A239-L255 HydrophobicContact CB-CD1 3.74Å; V243-L255 HydrophobicContact CG2-CD1 4.45Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 3.31Å; L255-L258 PolarHBondContact O-N 3.01Å; L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 PolarHBondContact O-N 3.43Å
256D98.4Very high98.1Very high104 Ų10447.6 Ų47.656%0.55628%0.275SS*.Hα-helixtrans-63.9-39176.8-63.8-24.1000110.8T254 L258 L259 E260T254-D256 VanDerWaalsContact C-N 3.32Å; D256-L258 VanDerWaalsContact C-N 3.35Å; D256-L258 PolarHBondContact O-N 3.17Å; D256-L259 PolarHBondContact O-N 2.86Å; D256-E260 WeakPolarHBondContact O-CB 3.42Å; D256-E260 WeakPolarHBondContact O-CG 3.38Å; D256-E260 PolarHBondContact O-N 2.87Å
257D98.6Very high98.1Very high4 Ų452 Ų522%0.02130%0.295CS..Hα-helixtrans-55.8-45.1173.2-74-54.5000112.8M115 I138 I253 T254 L255 Y261M115-D257 WeakPolarHBondContact CB-OD1 3.23Å; M115-D257 VanDerWaalsContact CG-OD1 3.28Å; M115-D257 WeakPolarHBondContact CG-OD1 3.24Å; M115-D257 PolarHBondContact N-OD1 3.5Å; I138-D257 HydrophobicContact CD1-CB 3.66Å; I138-D257 HydrophobicContact CG1-CB 4.05Å; I253-D257 HydrophobicContact CG2-CB 4.07Å; T254-D257 WeakPolarHBondContact CB-OD2 3.45Å; T254-D257 PolarHBondContact N-OD2 3.44Å; T254-D257 WeakPolarHBondContact O-CB 3.25Å; T254-D257 PolarHBondContact O-N 2.98Å; T254-D257 PolarHBondContact OG1-N 2.86Å; T254-D257 VanDerWaalsContact OG1-N 3.17Å; T254-D257 PolarHBondContact OG1-OD2 3.14Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 3.31Å; D257-Y261 PolarHBondContact O-N 2.05Å
258L98.3Very high97.9Very high0 Ų053.9 Ų53.90%031%0.308CS..Hα-helixtrans-68.4-43.7176.1-71.9-176.7000111.4I138 Y234 A239 I242 V243 I253 T254 L255 D256 E260 Y261I138-L258 HydrophobicContact CG2-CD2 4.08Å; Y234-L258 HydrophobicContact CD1-CB 4.35Å; Y234-L258 HydrophobicContact CD1-CD2 4.38Å; Y234-L258 VanDerWaalsContact CD1-O 3.22Å; Y234-L258 WeakPolarHBondContact CD1-O 3.44Å; A239-L258 HydrophobicContact CB-CD1 4.14Å; I242-L258 HydrophobicContact CB-CD1 4.34Å; I242-L258 HydrophobicContact CG2-CD1 4.02Å; V243-L258 HydrophobicContact CG2-CD1 3.52Å; V243-L258 HydrophobicContact CG2-CG 4.12Å; I253-L258 HydrophobicContact CG2-CD2 4.47Å; I253-L258 HydrophobicContact CG2-CG 4.26Å; T254-L258 PolarHBondContact O-N 2.91Å; L255-L258 PolarHBondContact O-N 3.01Å; D256-L258 VanDerWaalsContact C-N 3.35Å; D256-L258 PolarHBondContact O-N 3.17Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.14Å; L258-Y261 PolarHBondContact O-N 3.33Å
259L97.9Very high97.8Very high74 Ų7450.8 Ų50.839%0.38728%0.281SS..Hα-helixtrans-63.3-39.1-176.7-176.264.4000112N235 L255 D256N235-L259 HydrophobicContact CB-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 PolarHBondContact O-N 3.43Å; D256-L259 PolarHBondContact O-N 2.86Å
260E97.3Very high97.8Very high135 Ų13550.3 Ų50.363%0.63127%0.274SS*.Hα-helixtrans-85.6-12.5-176.1-67.3-174.1172.600113.9D256 L258 Q262D256-E260 WeakPolarHBondContact O-CB 3.42Å; D256-E260 WeakPolarHBondContact O-CG 3.38Å; D256-E260 PolarHBondContact O-N 2.87Å; L258-E260 VanDerWaalsContact C-N 3.32Å; L258-E260 PolarHBondContact O-N 3.14Å; E260-Q262 PolarHBondContact O-N 3.4Å
261Y98.5Very high97.7Very high6 Ų654.1 Ų54.12%0.02428%0.277CS..  trans-59.1128-179.9-178.7-87.6000112A109 R110 T112 I138 G140 R143 Y234 D257 L258 P263A109-Y261 VanDerWaalsContact CA-OH 3.31Å; A109-Y261 WeakPolarHBondContact CA-OH 3.43Å; A109-Y261 PolarHBondContact O-OH 3.27Å; R110-Y261 PolarHBondContact O-OH 3.38Å; T112-Y261 HydrophobicContact CG2-CD2 4.34Å; T112-Y261 HydrophobicContact CG2-CE2 4.01Å; T112-Y261 WeakPolarHBondContact OG1-CD2 3.31Å; I138-Y261 HydrophobicContact CB-CD2 4.13Å; I138-Y261 HydrophobicContact CG2-CD2 3.64Å; I138-Y261 HydrophobicContact CG2-CG 3.92Å; G140-Y261 VanDerWaalsContact CA-OH 3.28Å; G140-Y261 WeakPolarHBondContact CA-OH 3.17Å; R143-Y261 HydrophobicContact CB-CD1 4.03Å; R143-Y261 HydrophobicContact CB-CE1 3.98Å; R143-Y261 HydrophobicContact CG-CD1 3.79Å; R143-Y261 HydrophobicContact CG-CE1 4.28Å; Y234-Y261 HydrophobicContact CE1-CD1 4.18Å; D257-Y261 PolarHBondContact O-N 2.05Å; L258-Y261 PolarHBondContact O-N 3.33Å; Y261-P263 HydrophobicContact CE1-CG 4.19Å
262Q97.9Very high97.4Very high105 Ų10554 Ų5449%0.49127%0.274SS..  trans-137.4132.4175.2-66.4-62.5-43.100111.2E260 R453E260-Q262 PolarHBondContact O-N 3.4Å; Q262-R453 PolarHBondContact O-NH2 3.27Å
263P98.3Very high96.9Very high9 Ų956.4 Ų56.46%0.05829%0.288CS..PPolyproline II helixtrans-61.7156.8166.5-17.829.7000111.1I107 D108 A109 R143 M147 Y261I107-P263 HydrophobicContact CG2-CB 3.78Å; D108-P263 CarbonylContact O-C 3.49Å; D108-P263 VanDerWaalsContact O-CA 3.22Å; D108-P263 WeakPolarHBondContact O-CA 3.4Å; D108-P263 WeakPolarHBondContact O-CB 3.33Å; A109-P263 HydrophobicContact CB-CB 4.04Å; A109-P263 HydrophobicContact CB-CG 4.2Å; R143-P263 HydrophobicContact CB-CG 3.53Å; M147-P263 HydrophobicContact CE-CB 3.74Å; M147-P263 HydrophobicContact CE-CG 3.99Å; M147-P263 HydrophobicContact SD-CB 4.09Å; Y261-P263 HydrophobicContact CE1-CG 4.19Å
264V98.4Very high96.1Very high53 Ų5356.5 Ų56.532%0.32129%0.288SS..EExtended strand (participates in β ladder)trans-103.3122.1173.1165.20000110.3I107 D108I107-V264 WeakPolarHBondContact CA-O 3.46Å; D108-V264 HydrophobicContact CB-CB 4.21Å; D108-V264 PolarHBondContact N-O 2.86Å; D108-V264 PolarHBondContact O-N 3.3Å
265L98.4Very high95.2Very high58 Ų5856.8 Ų56.830%0.30430%0.298SS..EExtended strand (participates in β ladder)trans-86.8133.1170.9177.867.6000109.5E105 I107 M147 E267E105-L265 HydrophobicContact CB-CD1 4.29Å; E105-L265 HydrophobicContact CG-CD1 4.41Å; I107-L265 HydrophobicContact CG1-CD1 4.03Å; M147-L265 HydrophobicContact SD-CB 4.03Å; L265-E267 HydrophobicContact CD1-CG 4.39Å; L265-E267 HydrophobicContact CD2-CG 3.99Å; L265-E267 HydrophobicContact CG-CG 4.06Å
266N97.9Very high94.4Very high42 Ų4257.2 Ų57.223%0.22530%0.298CS..EExtended strand (participates in β ladder)trans-127.6111.3166.4178.712.1000109.6E105 T106 N268E105-N266 CarbonylContact C-O 3.54Å; E105-N266 WeakPolarHBondContact CA-O 3.42Å; T106-N266 PolarHBondContact N-O 3.23Å; T106-N266 PolarHBondContact O-N 3.06Å; N266-N268 VanDerWaalsContact C-N 3.25Å; N266-N268 PolarHBondContact ND2-O 2.88Å; N266-N268 VanDerWaalsContact ND2-O 3.17Å; N266-N268 PolarHBondContact O-N 3.46Å; N266-N268 VanDerWaalsContact OD1-C 3.23Å; N266-N268 WeakPolarHBondContact OD1-CA 3.42Å; N266-N268 PolarHBondContact OD1-N 3.22Å; N266-N268 PolarHBondContact OD1-O 3.27Å
267E97.1Very high94Very high91 Ų9152.6 Ų52.643%0.42527%0.273SS..SBendtrans-83.3-1.2178-62.6179.5139.300112.8R151 L265 P269R151-E267 IonicContact CZ-OE1 2.78Å; R151-E267 IonicContact NH1-OE1 3.75Å; R151-E267 IonicContact NH2-OE1 3.04Å; R151-E267 PolarHBondContact NH2-OE1 3.17Å; L265-E267 HydrophobicContact CD1-CG 4.39Å; L265-E267 HydrophobicContact CD2-CG 3.99Å; L265-E267 HydrophobicContact CG-CG 4.06Å; E267-P269 VanDerWaalsContact C-CD 3.49Å
268N95.6Very high93.7Very high135 Ų13553.4 Ų53.472%0.72228%0.278SS*.SBendtrans-129.366.9176.8-58.6-81.4000109.6N266N266-N268 VanDerWaalsContact C-N 3.25Å; N266-N268 PolarHBondContact ND2-O 2.88Å; N266-N268 VanDerWaalsContact ND2-O 3.17Å; N266-N268 PolarHBondContact O-N 3.46Å; N266-N268 VanDerWaalsContact OD1-C 3.23Å; N266-N268 WeakPolarHBondContact OD1-CA 3.42Å; N266-N268 PolarHBondContact OD1-N 3.22Å; N266-N268 PolarHBondContact OD1-O 3.27Å
269P96.1Very high93.5Very high12 Ų1253.6 Ų53.68%0.07828%0.279CS..  trans-64.3162178.528.5-34000111.2V104 T106 E267 K271V104-P269 HydrophobicContact CB-CG 4.15Å; V104-P269 HydrophobicContact CG1-CG 3.83Å; V104-P269 WeakPolarHBondContact O-CD 3.49Å; T106-P269 HydrophobicContact CG2-CB 3.62Å; T106-P269 HydrophobicContact CG2-CG 4.36Å; E267-P269 VanDerWaalsContact C-CD 3.49Å; P269-K271 PolarHBondContact O-N 2.97Å
270L96.6Very high93.5Very high25 Ų2551.2 Ų51.213%0.13127%0.266CS..EExtended strand (participates in β ladder)trans-58.5132.5178.8-63.2179.4000109.9H280 V281 D283 P289 I347 T351L270-H280 VanDerWaalsContact O-CA 3.31Å; L270-H280 WeakPolarHBondContact O-CA 3.48Å; L270-V281 HydrophobicContact CB-CG2 3.81Å; L270-V281 HydrophobicContact CD1-CG2 4.35Å; L270-V281 PolarHBondContact N-O 2.81Å; L270-V281 VanDerWaalsContact N-O 3.09Å; L270-V281 PolarHBondContact O-N 2.96Å; L270-D283 HydrophobicContact CD1-CB 4.22Å; L270-D283 HydrophobicContact CD2-CB 4.44Å; L270-D283 HydrophobicContact CG-CB 4Å; L270-P289 HydrophobicContact CD1-CB 4.37Å; L270-P289 HydrophobicContact CD1-CG 3.67Å; L270-I347 HydrophobicContact CD1-CG2 4.24Å; L270-I347 HydrophobicContact CD2-CG2 3.85Å; L270-T351 HydrophobicContact CD1-CG2 4.14Å; L270-T351 HydrophobicContact CD2-CG2 4.45Å
271K95.2Very high93.5Very high128 Ų12844.8 Ų44.856%0.55724%0.236SC*.EExtended strand (participates in β ladder)trans-122.1129.6-179.4-179.1-177.6177.1173.40108.5P269 T278 I279P269-K271 PolarHBondContact O-N 2.97Å; K271-T278 HydrophobicContact CD-CG2 4.23Å; K271-T278 VanDerWaalsContact CE-CG2 3.44Å; K271-T278 HydrophobicContact CG-CG2 3.97Å; K271-I279 WeakPolarHBondContact CA-O 3.44Å
272L90.9Very high93.5Very high7 Ų744.6 Ų44.64%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-135153.5173.167.1158.7000110.5V274 I279 V281 A292 L295L272-V274 HydrophobicContact CD1-CG2 3.83Å; L272-V274 HydrophobicContact CG-CG2 4.33Å; L272-I279 HydrophobicContact CD2-CB 3.72Å; L272-I279 HydrophobicContact CD2-CG2 3.82Å; L272-I279 HydrophobicContact CG-CB 3.96Å; L272-I279 HydrophobicContact CG-CG2 4.49Å; L272-I279 PolarHBondContact N-O 2.96Å; L272-I279 PolarHBondContact O-N 2.78Å; L272-V281 HydrophobicContact CD2-CG2 4.37Å; L272-A292 HydrophobicContact CD1-CB 3.77Å; L272-A292 HydrophobicContact CD2-CB 4.18Å; L272-A292 HydrophobicContact CG-CB 4.49Å; L272-L295 HydrophobicContact CD1-CB 4.22Å; L272-L295 HydrophobicContact CD1-CD1 4.22Å
273N87.9Confident93.4Very high94 Ų9441.7 Ų41.750%0.50322%0.223SC..EExtended strand (participates in β ladder)trans-108.6133.7175.3-59.4-45.6000108.6Y277 T278N273-Y277 WeakPolarHBondContact CA-O 3.33Å; N273-T278 PolarHBondContact OD1-OG1 3.39Å
274V82.2Confident93.3Very high3 Ų341.7 Ų41.72%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-136.9106.5-176.9166.30000106.4L272 E276 Y277 I279 L295 V513 I514L272-V274 HydrophobicContact CD1-CG2 3.83Å; L272-V274 HydrophobicContact CG-CG2 4.33Å; V274-E276 PolarHBondContact O-N 3.07Å; V274-Y277 PolarHBondContact N-O 3.02Å; V274-Y277 PolarHBondContact O-N 3.14Å; V274-I279 HydrophobicContact CB-CD1 3.82Å; V274-I279 HydrophobicContact CG1-CD1 4.29Å; V274-I279 HydrophobicContact CG2-CD1 3.76Å; V274-L295 HydrophobicContact CG2-CB 4.02Å; V274-V513 HydrophobicContact CG1-CB 4.41Å; V274-V513 HydrophobicContact CG1-CG1 3.29Å; V274-I514 HydrophobicContact CG1-CD1 3.39Å; V274-I514 HydrophobicContact CG1-CG1 4.32Å
275G80.4Confident93.2Very high41 Ų4139.3 Ų39.342%0.42321%0.209SC..THydrogen-bonded Turntrans53.8-123.4-164.700000112.5D299G275-D299 PolarHBondContact N-OD2 3.32Å
276E81.6Confident93.1Very high76 Ų7636.5 Ų36.536%0.35520%0.195SC..THydrogen-bonded Turntrans-88.6-117768-178.5151.400114.1V274V274-E276 PolarHBondContact O-N 3.07Å
277Y88.4Confident93Very high7 Ų734.5 Ų34.53%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-98.4141.4-174-58.6-78.3000111.7N273 V274 I463 F464 K471 L518N273-Y277 WeakPolarHBondContact CA-O 3.33Å; V274-Y277 PolarHBondContact N-O 3.02Å; V274-Y277 PolarHBondContact O-N 3.14Å; Y277-I463 HydrophobicContact CD1-CG2 4.11Å; Y277-I463 HydrophobicContact CG-CG2 4.19Å; Y277-F464 WeakPolarHBondContact CA-O 2.82Å; Y277-F464 WeakPolarHBondContact CD1-O 3.19Å; Y277-K471 HydrophobicContact CD1-CG 4.18Å; Y277-K471 HydrophobicContact CE1-CD 4.44Å; Y277-K471 HydrophobicContact CE1-CG 3.84Å; Y277-L518 HydrophobicContact CD2-CD1 4.16Å; Y277-L518 HydrophobicContact CE2-CD1 3.65Å; Y277-L518 HydrophobicContact CE2-CD2 4.43Å
278T93.3Very high93Very high20 Ų2030.2 Ų30.212%0.12316%0.164CC..EExtended strand (participates in β ladder)trans-99126.1167.6-67.20000108.8K271 N273 I463 F464K271-T278 HydrophobicContact CD-CG2 4.23Å; K271-T278 VanDerWaalsContact CE-CG2 3.44Å; K271-T278 HydrophobicContact CG-CG2 3.97Å; N273-T278 PolarHBondContact OD1-OG1 3.39Å; T278-I463 CarbonylContact O-C 3.27Å; T278-I463 WeakPolarHBondContact O-CA 3.36Å; T278-F464 PolarHBondContact N-O 3.44Å; T278-F464 PolarHBondContact O-N 3.08Å
279I94.6Very high93.1Very high4 Ų423.8 Ų23.82%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-113.6136.4-179.3-56.7178.6000108.8K271 L272 V274 V281 L295 T461 I463K271-I279 WeakPolarHBondContact CA-O 3.44Å; L272-I279 HydrophobicContact CD2-CB 3.72Å; L272-I279 HydrophobicContact CD2-CG2 3.82Å; L272-I279 HydrophobicContact CG-CB 3.96Å; L272-I279 HydrophobicContact CG-CG2 4.49Å; L272-I279 PolarHBondContact N-O 2.96Å; L272-I279 PolarHBondContact O-N 2.78Å; V274-I279 HydrophobicContact CB-CD1 3.82Å; V274-I279 HydrophobicContact CG1-CD1 4.29Å; V274-I279 HydrophobicContact CG2-CD1 3.76Å; I279-V281 HydrophobicContact CG2-CG1 4.07Å; I279-L295 HydrophobicContact CD1-CD1 3.78Å; I279-T461 HydrophobicContact CG2-CG2 3.52Å; I279-I463 HydrophobicContact CG1-CD1 4.48Å; I279-I463 HydrophobicContact CG1-CG1 4.12Å; I279-I463 HydrophobicContact CG1-CG2 4.03Å; I279-I463 HydrophobicContact CG2-CG1 4.35Å
280H97.8Very high93.1Very high25 Ų2523.2 Ų23.212%0.11613%0.126CC..EExtended strand (participates in β ladder)trans-117.5136.2170.5-71.3-96.1000111.3I95 V104 L270 I462 F464I95-H280 VanDerWaalsContact CD1-C 3.48Å; I95-H280 HydrophobicContact CD1-CB 3.61Å; I95-H280 VanDerWaalsContact CD1-O 3.3Å; I95-H280 WeakPolarHBondContact CD1-O 3.11Å; V104-H280 HydrophobicContact CG1-CB 3.89Å; L270-H280 VanDerWaalsContact O-CA 3.31Å; L270-H280 WeakPolarHBondContact O-CA 3.48Å; H280-I462 PolarHBondContact N-O 2.91Å; H280-I462 PolarHBondContact O-N 2.99Å; H280-F464 AromaticContact CD2-CD2 3.79Å; H280-F464 AromaticContact CD2-CE2 3.56Å
281V97.2Very high93.1Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-141.8155.4179.9-61.30000110.7L270 L272 I279 L291 T461L270-V281 HydrophobicContact CB-CG2 3.81Å; L270-V281 HydrophobicContact CD1-CG2 4.35Å; L270-V281 PolarHBondContact N-O 2.81Å; L270-V281 VanDerWaalsContact N-O 3.09Å; L270-V281 PolarHBondContact O-N 2.96Å; L272-V281 HydrophobicContact CD2-CG2 4.37Å; I279-V281 HydrophobicContact CG2-CG1 4.07Å; V281-L291 HydrophobicContact CG1-CD2 4Å; V281-T461 HydrophobicContact CG1-CG2 3.99Å
282P97.3Very high93.1Very high2 Ų215.9 Ų15.91%0.0139%0.093CC..PPolyproline II helixtrans-63.9153.9172.2-19.330.3000113.2Y93 T106 G288 P460Y93-P282 HydrophobicContact CD1-CB 4.31Å; T106-P282 HydrophobicContact CG2-CB 4.09Å; T106-P282 HydrophobicContact CG2-CG 3.97Å; P282-G288 VanDerWaalsContact O-CA 3.3Å; P282-G288 WeakPolarHBondContact O-CA 3.34Å; P282-P460 WeakPolarHBondContact CD-O 3.33Å; P282-P460 HydrophobicContact CG-CG 3.82Å
283D96.2Very high93.4Very high44 Ų4415.6 Ų15.624%0.2359%0.091CC..PPolyproline II helixtrans-83.3172.1174.4-158.2-1.3000111.7L270 S286 I347L270-D283 HydrophobicContact CD1-CB 4.22Å; L270-D283 HydrophobicContact CD2-CB 4.44Å; L270-D283 HydrophobicContact CG-CB 4Å; D283-S286 VanDerWaalsContact O-CB 3.27Å; D283-S286 WeakPolarHBondContact O-CB 3.45Å; D283-S286 PolarHBondContact O-N 2.97Å; D283-I347 WeakPolarHBondContact OD1-CD1 3.06Å
284A96.3Very high93.8Very high9 Ų911.1 Ų11.17%0.0747%0.068CC..THydrogen-bonded Turntrans-51.3141170.200000110.7L335 P338 I343 I347A284-L335 HydrophobicContact CB-CD2 4.46Å; A284-P338 HydrophobicContact CB-CG 3.83Å; A284-P338 VanDerWaalsContact O-CD 3.24Å; A284-P338 WeakPolarHBondContact O-CD 3.43Å; A284-P338 VanDerWaalsContact O-CG 3.23Å; A284-P338 WeakPolarHBondContact O-CG 3.37Å; A284-I343 HydrophobicContact CB-CD1 4.07Å; A284-I347 HydrophobicContact CB-CD1 4.09Å
285P96.1Very high94.3Very high2 Ų211 Ų111%0.0137%0.067CC..THydrogen-bonded Turncis-86.113.514.131.5-29.5000115.2R453 L455 S456P285-R453 HydrophobicContact CG-CB 3.82Å; P285-L455 WeakPolarHBondContact O-CD1 3.32Å; P285-S456 PolarHBondContact O-N 3.45Å
286S96.4Very high94.8Very high0 Ų09.2 Ų9.20%05%0.048CC..SBendtrans-72.2162.2166.2156.30000111.9Y93 D283 G288 P289 M458Y93-S286 PolarHBondContact OH-N 3.08Å; D283-S286 VanDerWaalsContact O-CB 3.27Å; D283-S286 WeakPolarHBondContact O-CB 3.45Å; D283-S286 PolarHBondContact O-N 2.97Å; S286-G288 PolarHBondContact O-N 3.23Å; S286-G288 PolarHBondContact OG-N 3.04Å; S286-P289 WeakPolarHBondContact O-CD 3.36Å; S286-M458 WeakPolarHBondContact CB-O 3.08Å; S286-M458 PolarHBondContact OG-O 3.42Å
287S96.1Very high95.4Very high0 Ų05.6 Ų5.60%03%0.031CC..SBendtrans-81.113.4175.3-100.10000114.3V290 L291 R332 S456 M458S287-V290 WeakPolarHBondContact O-CA 3.34Å; S287-V290 VanDerWaalsContact O-CB 3.32Å; S287-V290 WeakPolarHBondContact O-CB 3.47Å; S287-V290 PolarHBondContact O-N 3.06Å; S287-L291 PolarHBondContact O-N 3.11Å; S287-R332 PolarHBondContact OG-NE 3.34Å; S287-S456 WeakPolarHBondContact CB-O 3.21Å; S287-S456 PolarHBondContact N-O 3.17Å; S287-S456 PolarHBondContact OG-O 2.79Å; S287-S456 VanDerWaalsContact OG-O 3.08Å; S287-M458 PolarHBondContact N-O 2.84Å
288G96.9Very high95.5Very high0 Ų05.3 Ų5.30%03%0.03CC..Hα-helixtrans-53.5-44.8175.100000114.8P282 S286 V290 L291 A292P282-G288 VanDerWaalsContact O-CA 3.3Å; P282-G288 WeakPolarHBondContact O-CA 3.34Å; S286-G288 PolarHBondContact O-N 3.23Å; S286-G288 PolarHBondContact OG-N 3.04Å; G288-V290 PolarHBondContact O-N 2.89Å; G288-L291 PolarHBondContact O-N 3.31Å; G288-A292 WeakPolarHBondContact O-CB 3.43Å; G288-A292 PolarHBondContact O-N 3.34Å
289P97.7Very high95.2Very high0 Ų05.8 Ų5.80%03%0.031CC..Hα-helixtrans-58.3-34172.3-22.329.1000113.8L270 S286 L293 L335 I347 M350L270-P289 HydrophobicContact CD1-CB 4.37Å; L270-P289 HydrophobicContact CD1-CG 3.67Å; S286-P289 WeakPolarHBondContact O-CD 3.36Å; P289-L293 PolarHBondContact O-N 3.25Å; P289-L293 VanDerWaalsContact O-N 3.08Å; P289-L335 HydrophobicContact CB-CD1 4.27Å; P289-L335 HydrophobicContact CG-CD1 4.43Å; P289-I347 HydrophobicContact CG-CG1 4.38Å; P289-I347 HydrophobicContact CG-CG2 4.42Å; P289-M350 HydrophobicContact CB-CB 4.36Å; P289-M350 HydrophobicContact CB-CE 4.3Å; P289-M350 HydrophobicContact CB-SD 4.37Å
290V97.1Very high94.9Very high0 Ų06.9 Ų6.90%04%0.044CC..Hα-helixtrans-70.3-44.9178.5-171.50000110.1S287 G288 A292 L293 I294 A328 Y329 R332 L335 M350 T483S287-V290 WeakPolarHBondContact O-CA 3.34Å; S287-V290 VanDerWaalsContact O-CB 3.32Å; S287-V290 WeakPolarHBondContact O-CB 3.47Å; S287-V290 PolarHBondContact O-N 3.06Å; G288-V290 PolarHBondContact O-N 2.89Å; V290-A292 VanDerWaalsContact C-N 3.33Å; V290-L293 PolarHBondContact O-N 3.28Å; V290-I294 HydrophobicContact CG1-CD1 4.25Å; V290-I294 VanDerWaalsContact O-CG1 3.31Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 2.82Å; V290-I294 VanDerWaalsContact O-N 3.08Å; V290-A328 HydrophobicContact CG1-CB 3.86Å; V290-Y329 HydrophobicContact CG1-CD2 4.32Å; V290-Y329 HydrophobicContact CG1-CE2 4.31Å; V290-R332 HydrophobicContact CG2-CB 3.72Å; V290-R332 HydrophobicContact CG2-CG 3.84Å; V290-L335 HydrophobicContact CG2-CD1 3.67Å; V290-M350 HydrophobicContact CB-CE 4.48Å; V290-M350 HydrophobicContact CG2-CE 4.07Å; V290-T483 HydrophobicContact CB-CG2 4.04Å; V290-T483 HydrophobicContact CG1-CG2 3.98Å
291L95.9Very high94.4Very high0 Ų07.4 Ų7.40%05%0.045CC..Hα-helixtrans-60.3-45.4174.4178.458.3000110.7V281 S287 G288 L293 I294 L295 C459 T461 T483 T486 A487V281-L291 HydrophobicContact CG1-CD2 4Å; S287-L291 PolarHBondContact O-N 3.11Å; G288-L291 PolarHBondContact O-N 3.31Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 2.97Å; L291-I294 PolarHBondContact O-N 2.93Å; L291-L295 HydrophobicContact CD1-CD1 3.92Å; L291-L295 HydrophobicContact CD1-CD2 4.38Å; L291-L295 HydrophobicContact CD1-CG 3.98Å; L291-L295 HydrophobicContact CG-CD1 3.86Å; L291-L295 HydrophobicContact CG-CG 4.34Å; L291-L295 VanDerWaalsContact O-CG 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 3.31Å; L291-C459 HydrophobicContact CB-CB 4.39Å; L291-C459 HydrophobicContact CD2-CB 4.11Å; L291-T461 VanDerWaalsContact CD2-OG1 3.31Å; L291-T461 WeakPolarHBondContact CD2-OG1 3.34Å; L291-T483 HydrophobicContact CB-CG2 3.86Å; L291-T486 HydrophobicContact CD2-CG2 3.75Å; L291-A487 HydrophobicContact CD1-CB 3.66Å
292A95.6Very high93.7Very high0 Ų011.8 Ų11.80%07%0.069CC..Hα-helixtrans-56.4-47.317800000112.3L272 G288 V290 I294 L295 N296 T351L272-A292 HydrophobicContact CD1-CB 3.77Å; L272-A292 HydrophobicContact CD2-CB 4.18Å; L272-A292 HydrophobicContact CG-CB 4.49Å; G288-A292 WeakPolarHBondContact O-CB 3.43Å; G288-A292 PolarHBondContact O-N 3.34Å; V290-A292 VanDerWaalsContact C-N 3.33Å; A292-I294 PolarHBondContact O-N 3.06Å; A292-L295 PolarHBondContact O-N 3.13Å; A292-N296 PolarHBondContact O-N 2.56Å; A292-T351 HydrophobicContact CB-CG2 3.94Å
293L96.8Very high92.9Very high0 Ų011.9 Ų11.90%07%0.069CC..Hα-helixtrans-63.2-43.3178.6-175.353.5000112.5P289 V290 L291 L295 N296 I297 A328 K331 M350 F355 A356 I359P289-L293 PolarHBondContact O-N 3.25Å; P289-L293 VanDerWaalsContact O-N 3.08Å; V290-L293 PolarHBondContact O-N 3.28Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 2.97Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 2.95Å; L293-N296 PolarHBondContact O-N 2.84Å; L293-I297 HydrophobicContact CD1-CD1 3.9Å; L293-I297 HydrophobicContact CD1-CG1 4.09Å; L293-I297 HydrophobicContact CG-CD1 3.81Å; L293-I297 HydrophobicContact CG-CG1 4.47Å; L293-I297 WeakPolarHBondContact O-CD1 3.41Å; L293-I297 WeakPolarHBondContact O-CG1 3.42Å; L293-I297 PolarHBondContact O-N 3.1Å; L293-A328 HydrophobicContact CB-CB 4.35Å; L293-A328 HydrophobicContact CD2-CB 4.21Å; L293-A328 HydrophobicContact CG-CB 4.28Å; L293-K331 HydrophobicContact CD2-CB 4.4Å; L293-K331 HydrophobicContact CD2-CG 4.3Å; L293-M350 WeakPolarHBondContact CA-O 3.06Å; L293-M350 HydrophobicContact CB-CB 4.43Å; L293-M350 HydrophobicContact CB-CE 4.45Å; L293-M350 WeakPolarHBondContact CB-O 3.48Å; L293-M350 HydrophobicContact CD2-CB 4.44Å; L293-M350 HydrophobicContact CD2-CE 4.05Å; L293-M350 HydrophobicContact CD2-CG 4.16Å; L293-M350 PolarHBondContact N-O 2.55Å; L293-F355 HydrophobicContact CD1-CD1 3.87Å; L293-F355 HydrophobicContact CD1-CE1 4.27Å; L293-F355 HydrophobicContact CD2-CD1 4.44Å; L293-F355 HydrophobicContact CD2-CE1 4.03Å; L293-A356 HydrophobicContact CD1-CB 4.19Å; L293-I359 HydrophobicContact CD1-CD1 4.16Å; L293-I359 HydrophobicContact CD2-CD1 3.98Å; L293-I359 HydrophobicContact CG-CD1 4.47Å
294I95.6Very high91.9Very high0 Ų011.7 Ų11.70%07%0.069CC..Hα-helixtrans-56.9-48.3175.8-70.2167.4000110V290 L291 A292 I297 V298 F325 A328 T483 A487V290-I294 HydrophobicContact CG1-CD1 4.25Å; V290-I294 VanDerWaalsContact O-CG1 3.31Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 2.82Å; V290-I294 VanDerWaalsContact O-N 3.08Å; L291-I294 PolarHBondContact O-N 2.93Å; A292-I294 PolarHBondContact O-N 3.06Å; I294-I297 PolarHBondContact O-N 2.82Å; I294-V298 WeakPolarHBondContact O-CB 3.5Å; I294-V298 VanDerWaalsContact O-CG2 3.27Å; I294-V298 WeakPolarHBondContact O-CG2 3.43Å; I294-V298 PolarHBondContact O-N 3.43Å; I294-F325 HydrophobicContact CD1-CD1 3.81Å; I294-F325 HydrophobicContact CD1-CE1 4.35Å; I294-F325 HydrophobicContact CG1-CD1 4.07Å; I294-F325 HydrophobicContact CG2-CD1 3.77Å; I294-F325 HydrophobicContact CG2-CE1 3.66Å; I294-A328 HydrophobicContact CD1-CB 4.03Å; I294-A328 HydrophobicContact CG1-CB 3.38Å; I294-T483 HydrophobicContact CD1-CG2 3.97Å; I294-A487 HydrophobicContact CG2-CB 3.8Å
295L92.4Very high90.8Very high1 Ų112.8 Ų12.81%0.0057%0.074CC..Hα-helixtrans-64.8-46.4-177.3-64.5173000111.3L272 V274 I279 L291 A292 L293 I297 V298 D299 A487 I514L272-L295 HydrophobicContact CD1-CB 4.22Å; L272-L295 HydrophobicContact CD1-CD1 4.22Å; V274-L295 HydrophobicContact CG2-CB 4.02Å; I279-L295 HydrophobicContact CD1-CD1 3.78Å; L291-L295 HydrophobicContact CD1-CD1 3.92Å; L291-L295 HydrophobicContact CD1-CD2 4.38Å; L291-L295 HydrophobicContact CD1-CG 3.98Å; L291-L295 HydrophobicContact CG-CD1 3.86Å; L291-L295 HydrophobicContact CG-CG 4.34Å; L291-L295 VanDerWaalsContact O-CG 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.46Å; L291-L295 PolarHBondContact O-N 3.31Å; A292-L295 PolarHBondContact O-N 3.13Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 2.95Å; L295-I297 PolarHBondContact O-N 3.29Å; L295-V298 PolarHBondContact O-N 3.24Å; L295-D299 VanDerWaalsContact O-CB 3.3Å; L295-D299 WeakPolarHBondContact O-CB 3.24Å; L295-D299 PolarHBondContact O-N 2.63Å; L295-A487 HydrophobicContact CD2-CB 4.49Å; L295-I514 HydrophobicContact CB-CD1 4.21Å; L295-I514 HydrophobicContact CD2-CD1 3.9Å; L295-I514 HydrophobicContact CD2-CG2 3.59Å; L295-I514 WeakPolarHBondContact O-CD1 3.21Å
296N92.4Very high89.9Confident4 Ų416 Ų162%0.0219%0.093CC..Hα-helixtrans-65.1-35.5178.8-70.50.6000112.9A292 L293 T351 A356 R360A292-N296 PolarHBondContact O-N 2.56Å; L293-N296 PolarHBondContact O-N 2.84Å; N296-T351 PolarHBondContact ND2-O 3.47Å; N296-A356 HydrophobicContact CB-CB 3.46Å; N296-A356 VanDerWaalsContact CB-CB 3.46Å; N296-R360 PolarHBondContact O-NH2 3.12Å
297I93.5Very high89.2Confident0 Ų016.9 Ų16.90%010%0.1CC..Hα-helixtrans-65.3-48.6174.7-68.4162.3000109.7L293 I294 L295 Y301 A324 F327 A356 I359 R360 I363L293-I297 HydrophobicContact CD1-CD1 3.9Å; L293-I297 HydrophobicContact CD1-CG1 4.09Å; L293-I297 HydrophobicContact CG-CD1 3.81Å; L293-I297 HydrophobicContact CG-CG1 4.47Å; L293-I297 WeakPolarHBondContact O-CD1 3.41Å; L293-I297 WeakPolarHBondContact O-CG1 3.42Å; L293-I297 PolarHBondContact O-N 3.1Å; I294-I297 PolarHBondContact O-N 2.82Å; L295-I297 PolarHBondContact O-N 3.29Å; I297-Y301 HydrophobicContact CG2-CE2 4.29Å; I297-A324 HydrophobicContact CB-CB 4.11Å; I297-A324 HydrophobicContact CD1-CB 4.44Å; I297-A324 HydrophobicContact CG2-CB 3.63Å; I297-F327 HydrophobicContact CD1-CB 4.49Å; I297-A356 HydrophobicContact CG1-CB 4.02Å; I297-I359 HydrophobicContact CD1-CB 4.16Å; I297-I359 HydrophobicContact CD1-CD1 4.35Å; I297-I359 HydrophobicContact CD1-CG2 3.54Å; I297-I359 HydrophobicContact CG1-CB 4.31Å; I297-I359 HydrophobicContact CG1-CG2 4.05Å; I297-R360 HydrophobicContact CG2-CG 4.5Å; I297-R360 PolarHBondContact O-NE 3.11Å; I297-I363 HydrophobicContact CG2-CD1 3.71Å
298V90.3Very high88.5Confident0 Ų018.1 Ų18.10%011%0.107CC..Hα-helixtrans-68.6-36.1-176.2170.70000111.8I294 L295 G300 Y301 F303 A324 I514 L515 F519I294-V298 WeakPolarHBondContact O-CB 3.5Å; I294-V298 VanDerWaalsContact O-CG2 3.27Å; I294-V298 WeakPolarHBondContact O-CG2 3.43Å; I294-V298 PolarHBondContact O-N 3.43Å; L295-V298 PolarHBondContact O-N 3.24Å; V298-G300 PolarHBondContact O-N 3.47Å; V298-Y301 PolarHBondContact O-N 3.03Å; V298-F303 HydrophobicContact CG1-CD2 4.08Å; V298-F303 HydrophobicContact CG1-CE2 3.97Å; V298-A324 HydrophobicContact CG2-CB 3.9Å; V298-I514 HydrophobicContact CG1-CD1 4.35Å; V298-I514 HydrophobicContact CG1-CG1 4.03Å; V298-L515 HydrophobicContact CG1-CD2 4.19Å; V298-L515 HydrophobicContact CG1-CG 4.35Å; V298-F519 HydrophobicContact CG1-CE2 3.61Å; V298-F519 HydrophobicContact CG1-CZ 3.97Å
299D86.8Confident87.7Confident30 Ų3021.7 Ų21.716%0.1613%0.132CC..Hα-helixtrans-55.1-51.9-178.7-171.229.3000111.6G275 L295 Y301 N302 V513 I514G275-D299 PolarHBondContact N-OD2 3.32Å; L295-D299 VanDerWaalsContact O-CB 3.3Å; L295-D299 WeakPolarHBondContact O-CB 3.24Å; L295-D299 PolarHBondContact O-N 2.63Å; D299-Y301 PolarHBondContact O-N 3.35Å; D299-N302 PolarHBondContact O-N 2.61Å; D299-V513 WeakPolarHBondContact OD1-CG1 3Å; D299-V513 WeakPolarHBondContact OD1-CG2 3.47Å; D299-I514 HydrophobicContact CB-CD1 4.2Å
300G88.4Confident87.2Confident28 Ų2824.8 Ų24.829%0.28915%0.151SC..THydrogen-bonded Turntrans-74.85-176.100000116.2V298 N302V298-G300 PolarHBondContact O-N 3.47Å; G300-N302 VanDerWaalsContact C-N 3.29Å
301Y87Confident86.8Confident36 Ų3626.9 Ų26.914%0.14117%0.169CC..THydrogen-bonded Turntrans-79.7-11.5161.7-75.8-65000113.3I297 V298 D299 F303 R320 R360 I363I297-Y301 HydrophobicContact CG2-CE2 4.29Å; V298-Y301 PolarHBondContact O-N 3.03Å; D299-Y301 PolarHBondContact O-N 3.35Å; Y301-F303 VanDerWaalsContact C-N 3.31Å; Y301-F303 HydrophobicContact CD2-CE2 4.31Å; Y301-F303 HydrophobicContact CD2-CZ 4.01Å; Y301-F303 HydrophobicContact CG-CE1 4.23Å; Y301-F303 HydrophobicContact CG-CE2 4.42Å; Y301-F303 AromaticContact CG-CZ 3.89Å; Y301-F303 HydrophobicContact CG-CZ 3.89Å; Y301-F303 PolarHBondContact O-N 3.42Å; Y301-R320 HydrophobicContact CD2-CB 4.32Å; Y301-R320 HydrophobicContact CE1-CG 4.09Å; Y301-R320 HydrophobicContact CE2-CB 3.92Å; Y301-R320 HydrophobicContact CE2-CG 4.17Å; Y301-R360 HydrophobicContact CD1-CG 4.47Å; Y301-R360 HydrophobicContact CD2-CG 4.29Å; Y301-R360 HydrophobicContact CE1-CG 3.84Å; Y301-R360 HydrophobicContact CE2-CG 3.63Å; Y301-R360 WeakPolarHBondContact OH-CG 3.43Å; Y301-I363 HydrophobicContact CE2-CD1 4.29Å; Y301-I363 WeakPolarHBondContact OH-CB 3.46Å; Y301-I363 WeakPolarHBondContact OH-CD1 3.36Å; Y301-I363 VanDerWaalsContact OH-CG2 3.23Å; Y301-I363 WeakPolarHBondContact OH-CG2 3.21Å
302N83.1Confident86.7Confident91 Ų9134.6 Ų34.649%0.48721%0.205SC..  trans50.847.6178.1-63.1-44.4000112.6D299 G300D299-N302 PolarHBondContact O-N 2.61Å; G300-N302 VanDerWaalsContact C-N 3.29Å
303F79.8Confident86.4Confident5 Ų538.9 Ų38.92%0.02222%0.223CC..  trans-60.3145.1-179.7-64.1-49.5000111.7V298 Y301 T317 R320 I321 F519V298-F303 HydrophobicContact CG1-CD2 4.08Å; V298-F303 HydrophobicContact CG1-CE2 3.97Å; Y301-F303 VanDerWaalsContact C-N 3.31Å; Y301-F303 HydrophobicContact CD2-CE2 4.31Å; Y301-F303 HydrophobicContact CD2-CZ 4.01Å; Y301-F303 HydrophobicContact CG-CE1 4.23Å; Y301-F303 HydrophobicContact CG-CE2 4.42Å; Y301-F303 AromaticContact CG-CZ 3.89Å; Y301-F303 HydrophobicContact CG-CZ 3.89Å; Y301-F303 PolarHBondContact O-N 3.42Å; F303-T317 HydrophobicContact CD1-CG2 4.15Å; F303-T317 HydrophobicContact CD2-CG2 4.2Å; F303-T317 HydrophobicContact CE1-CG2 4.03Å; F303-T317 HydrophobicContact CE2-CG2 4.08Å; F303-T317 HydrophobicContact CG-CG2 4.24Å; F303-T317 HydrophobicContact CZ-CG2 4.01Å; F303-R320 HydrophobicContact CZ-CB 3.99Å; F303-I321 HydrophobicContact CE2-CG1 4.33Å; F303-F519 HydrophobicContact CB-CB 4.29Å; F303-F519 HydrophobicContact CB-CD1 3.62Å; F303-F519 HydrophobicContact CB-CD2 3.9Å; F303-F519 HydrophobicContact CB-CE1 3.69Å; F303-F519 HydrophobicContact CB-CE2 4Å; F303-F519 HydrophobicContact CB-CG 3.74Å; F303-F519 HydrophobicContact CB-CZ 3.9Å; F303-F519 AromaticContact CD2-CD2 3.95Å; F303-F519 HydrophobicContact CD2-CD2 3.95Å; F303-F519 AromaticContact CD2-CE2 3.52Å; F303-F519 HydrophobicContact CD2-CE2 3.52Å; F303-F519 AromaticContact CD2-CZ 3.85Å; F303-F519 HydrophobicContact CD2-CZ 3.85Å; F303-F519 HydrophobicContact CG-CD2 4.41Å; F303-F519 HydrophobicContact CG-CE2 4.25Å; F303-F519 HydrophobicContact CG-CZ 4.35Å; F303-F519 VanDerWaalsContact O-CD1 3.27Å; F303-F519 WeakPolarHBondContact O-CD1 3.23Å
304T76.3Confident85.9Confident39 Ų3940.6 Ų40.624%0.23923%0.231CC..  trans-135.8176.3178.862.60000109.6T306 S307 W510 F519T304-T306 PolarHBondContact O-N 2.96Å; T304-T306 PolarHBondContact OG1-N 3.39Å; T304-T306 PolarHBondContact OG1-OG1 3.22Å; T304-S307 PolarHBondContact N-OG 3.17Å; T304-S307 WeakPolarHBondContact O-CA 3.05Å; T304-S307 WeakPolarHBondContact O-CB 3.46Å; T304-S307 PolarHBondContact O-N 3.41Å; T304-S307 PolarHBondContact O-OG 3.43Å; T304-W510 HydrophobicContact CG2-CZ3 4.23Å; T304-F519 CarbonylContact C-O 3.58Å
305D72.5Confident85.8Confident33 Ų3341 Ų4118%0.17623%0.234CC..G310 helixtrans-56-26.5173-63.9-46000112.7S307 V308 S309 Y509 F519 N521D305-S307 PolarHBondContact O-N 3.4Å; D305-V308 PolarHBondContact O-N 3.43Å; D305-S309 PolarHBondContact O-N 3.01Å; D305-Y509 HydrophobicContact CB-CE1 3.95Å; D305-Y509 WeakPolarHBondContact OD2-CD1 3.3Å; D305-Y509 WeakPolarHBondContact OD2-CE1 3.18Å; D305-F519 PolarHBondContact N-O 2.81Å; D305-N521 PolarHBondContact OD1-N 2.9Å
306T77.9Confident85.9Confident68 Ų6843.2 Ų43.242%0.41725%0.245SC..G310 helixtrans-69.7-22.5175.472.60000113T304 V308 S309 K313T304-T306 PolarHBondContact O-N 2.96Å; T304-T306 PolarHBondContact OG1-N 3.39Å; T304-T306 PolarHBondContact OG1-OG1 3.22Å; T306-V308 PolarHBondContact O-N 3.02Å; T306-S309 PolarHBondContact O-N 3.41Å; T306-S309 PolarHBondContact O-OG 2.93Å; T306-S309 VanDerWaalsContact O-OG 3.04Å; T306-K313 WeakPolarHBondContact O-CD 3.41Å; T306-K313 PolarHBondContact O-NZ 2.9Å
307S80.5Confident85.9Confident20 Ų2043.2 Ų43.214%0.1425%0.245CC..G310 helixtrans-69-16.2177.6-55.30000112.4T304 D305 K313 K314 T317T304-S307 PolarHBondContact N-OG 3.17Å; T304-S307 WeakPolarHBondContact O-CA 3.05Å; T304-S307 WeakPolarHBondContact O-CB 3.46Å; T304-S307 PolarHBondContact O-N 3.41Å; T304-S307 PolarHBondContact O-OG 3.43Å; D305-S307 PolarHBondContact O-N 3.4Å; S307-K313 CarbonylContact O-C 2.93Å; S307-K313 VanDerWaalsContact O-CB 3.24Å; S307-K313 WeakPolarHBondContact O-CB 3.32Å; S307-K314 PolarHBondContact O-N 3.13Å; S307-T317 PolarHBondContact O-OG1 2.95Å
308V81.9Confident85.8Confident25 Ų2543.6 Ų43.615%0.15225%0.246CC..G310 helixtrans-124.112.7176-68.60000114.1D305 T306 T310 K314 T317 F520D305-V308 PolarHBondContact O-N 3.43Å; T306-V308 PolarHBondContact O-N 3.02Å; V308-T310 VanDerWaalsContact C-N 3.27Å; V308-T310 PolarHBondContact O-N 2.89Å; V308-K314 HydrophobicContact CB-CB 4.32Å; V308-K314 HydrophobicContact CB-CG 4.33Å; V308-K314 HydrophobicContact CG1-CB 4.22Å; V308-K314 HydrophobicContact CG1-CG 3.99Å; V308-T317 HydrophobicContact CG1-CG2 4.38Å; V308-F520 HydrophobicContact CB-CD1 3.9Å; V308-F520 HydrophobicContact CB-CE1 4.11Å; V308-F520 HydrophobicContact CG1-CD1 3.34Å; V308-F520 HydrophobicContact CG1-CE1 3.05Å; V308-F520 HydrophobicContact CG1-CE2 4.4Å; V308-F520 HydrophobicContact CG1-CG 4.18Å; V308-F520 HydrophobicContact CG1-CZ 3.64Å; V308-F520 HydrophobicContact CG2-CB 4.19Å; V308-F520 HydrophobicContact CG2-CD1 3.31Å; V308-F520 HydrophobicContact CG2-CE1 3.99Å; V308-F520 HydrophobicContact CG2-CG 3.95Å
309S80.5Confident86Confident76 Ų7643.6 Ų43.653%0.53125%0.246SC..SBendtrans-70.6-21.4-17668.70000113.9D305 T306D305-S309 PolarHBondContact O-N 3.01Å; T306-S309 PolarHBondContact O-N 3.41Å; T306-S309 PolarHBondContact O-OG 2.93Å; T306-S309 VanDerWaalsContact O-OG 3.04Å
310T87.3Confident86.4Confident65 Ų6544.2 Ų44.240%0.39925%0.247SC..SBendtrans-132.4159.1176.967.50000109.9V308 E312 K313 K314V308-T310 VanDerWaalsContact C-N 3.27Å; V308-T310 PolarHBondContact O-N 2.89Å; T310-E312 VanDerWaalsContact C-N 3.31Å; T310-E312 PolarHBondContact O-N 3.39Å; T310-K313 PolarHBondContact O-N 2.9Å; T310-K313 WeakPolarHBondContact OG1-CG 3.45Å; T310-K313 PolarHBondContact OG1-N 3.09Å; T310-K314 VanDerWaalsContact O-CB 3.29Å; T310-K314 WeakPolarHBondContact O-CB 3.3Å; T310-K314 PolarHBondContact O-N 3.28Å
311A89Confident86.7Confident44 Ų4442.9 Ų42.936%0.36423%0.233SC..Hα-helixtrans-56.1-45.4177.100000111.9K313 K314 T315A311-K313 PolarHBondContact O-N 3Å; A311-K314 PolarHBondContact O-N 2.8Å; A311-T315 WeakPolarHBondContact O-CB 3.44Å; A311-T315 PolarHBondContact O-N 3.08Å; A311-T315 PolarHBondContact O-OG1 2.96Å
312E93.3Very high87.1Confident162 Ų16241.2 Ų41.276%0.75723%0.226SC*.Hα-helixtrans-59-48.6178.6-176.4-173.5177.300112.8T310 K314 T315 L316T310-E312 VanDerWaalsContact C-N 3.31Å; T310-E312 PolarHBondContact O-N 3.39Å; E312-K314 VanDerWaalsContact C-N 3.34Å; E312-T315 WeakPolarHBondContact O-CB 3.34Å; E312-T315 PolarHBondContact O-N 3Å; E312-L316 PolarHBondContact O-N 2.92Å
313K88.9Confident87.7Confident90 Ų9036.9 Ų36.939%0.39120%0.203SC..Hα-helixtrans-67.2-38.7179.5-66.7-175-176.9-178.50111.5T306 S307 T310 A311 L316 T317T306-K313 WeakPolarHBondContact O-CD 3.41Å; T306-K313 PolarHBondContact O-NZ 2.9Å; S307-K313 CarbonylContact O-C 2.93Å; S307-K313 VanDerWaalsContact O-CB 3.24Å; S307-K313 WeakPolarHBondContact O-CB 3.32Å; T310-K313 PolarHBondContact O-N 2.9Å; T310-K313 WeakPolarHBondContact OG1-CG 3.45Å; T310-K313 PolarHBondContact OG1-N 3.09Å; A311-K313 PolarHBondContact O-N 3Å; K313-L316 PolarHBondContact O-N 3.25Å; K313-T317 WeakPolarHBondContact O-CB 3.34Å; K313-T317 PolarHBondContact O-N 3.34Å; K313-T317 PolarHBondContact O-OG1 2.8Å
314K87.6Confident88.5Confident35 Ų3536.6 Ų36.615%0.15220%0.202CC..Hα-helixtrans-62.8-44.6175.4-173.6179.6-67.6-175.50110.9S307 V308 T310 A311 E312 L316 T317 Y318 E549 V552S307-K314 PolarHBondContact O-N 3.13Å; V308-K314 HydrophobicContact CB-CB 4.32Å; V308-K314 HydrophobicContact CB-CG 4.33Å; V308-K314 HydrophobicContact CG1-CB 4.22Å; V308-K314 HydrophobicContact CG1-CG 3.99Å; T310-K314 VanDerWaalsContact O-CB 3.29Å; T310-K314 WeakPolarHBondContact O-CB 3.3Å; T310-K314 PolarHBondContact O-N 3.28Å; A311-K314 PolarHBondContact O-N 2.8Å; E312-K314 VanDerWaalsContact C-N 3.34Å; K314-L316 PolarHBondContact O-N 3.05Å; K314-T317 WeakPolarHBondContact O-CB 3.21Å; K314-T317 PolarHBondContact O-N 2.77Å; K314-Y318 HydrophobicContact CD-CE2 4.14Å; K314-Y318 HydrophobicContact CG-CD2 3.73Å; K314-Y318 HydrophobicContact CG-CE2 3.71Å; K314-Y318 WeakPolarHBondContact O-CD2 3.34Å; K314-Y318 PolarHBondContact O-N 2.84Å; K314-E549 WeakPolarHBondContact CD-OE2 3.42Å; K314-E549 WeakPolarHBondContact CE-OE2 3.23Å; K314-E549 IonicContact NZ-OE2 3.22Å; K314-E549 PolarHBondContact NZ-OE2 3.04Å; K314-V552 HydrophobicContact CB-CG2 4.27Å; K314-V552 HydrophobicContact CD-CG2 3.56Å; K314-V552 HydrophobicContact CG-CG2 3.67Å
315T93.4Very high89.4Confident10 Ų1034.8 Ų34.86%0.06119%0.191CC..Hα-helixtrans-56.2-48.3172.1-64.10000111.4A311 E312 T317 Y318 H319 G555 K559A311-T315 WeakPolarHBondContact O-CB 3.44Å; A311-T315 PolarHBondContact O-N 3.08Å; A311-T315 PolarHBondContact O-OG1 2.96Å; E312-T315 WeakPolarHBondContact O-CB 3.34Å; E312-T315 PolarHBondContact O-N 3Å; T315-T317 VanDerWaalsContact C-N 3.3Å; T315-T317 PolarHBondContact O-N 2.79Å; T315-Y318 PolarHBondContact O-N 2.9Å; T315-H319 WeakPolarHBondContact O-CB 3.49Å; T315-H319 PolarHBondContact O-N 3.25Å; T315-G555 VanDerWaalsContact CG2-CA 3.49Å; T315-K559 HydrophobicContact CG2-CD 4.35Å
316L94.3Very high90.5Very high46 Ų4633.2 Ų33.224%0.24118%0.182CC..Hα-helixtrans-61.6-39.9177.9179.558.8000112.2E312 K313 K314 H319 R320 D365E312-L316 PolarHBondContact O-N 2.92Å; K313-L316 PolarHBondContact O-N 3.25Å; K314-L316 PolarHBondContact O-N 3.05Å; L316-H319 WeakPolarHBondContact O-CB 3.45Å; L316-H319 PolarHBondContact O-N 2.78Å; L316-R320 HydrophobicContact CD1-CG 4.39Å; L316-R320 WeakPolarHBondContact O-CG 3.15Å; L316-R320 PolarHBondContact O-N 3.09Å; L316-D365 HydrophobicContact CD1-CB 3.63Å
317T91.3Very high91.4Very high4 Ų430.1 Ų30.13%0.02516%0.163CC..Hα-helixtrans-62.4-53.6177.2-60.40000110.7F303 S307 V308 K313 K314 T315 H319 R320 I321 F520F303-T317 HydrophobicContact CD1-CG2 4.15Å; F303-T317 HydrophobicContact CD2-CG2 4.2Å; F303-T317 HydrophobicContact CE1-CG2 4.03Å; F303-T317 HydrophobicContact CE2-CG2 4.08Å; F303-T317 HydrophobicContact CG-CG2 4.24Å; F303-T317 HydrophobicContact CZ-CG2 4.01Å; S307-T317 PolarHBondContact O-OG1 2.95Å; V308-T317 HydrophobicContact CG1-CG2 4.38Å; K313-T317 WeakPolarHBondContact O-CB 3.34Å; K313-T317 PolarHBondContact O-N 3.34Å; K313-T317 PolarHBondContact O-OG1 2.8Å; K314-T317 WeakPolarHBondContact O-CB 3.21Å; K314-T317 PolarHBondContact O-N 2.77Å; T315-T317 VanDerWaalsContact C-N 3.3Å; T315-T317 PolarHBondContact O-N 2.79Å; T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 PolarHBondContact O-N 2.88Å; T317-R320 PolarHBondContact O-N 3.5Å; T317-I321 HydrophobicContact CG2-CD1 3.77Å; T317-I321 VanDerWaalsContact O-CD1 3.31Å; T317-I321 WeakPolarHBondContact O-CD1 2.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.03Å; T317-I321 PolarHBondContact O-N 3.44Å; T317-F520 HydrophobicContact CG2-CE1 4.02Å; T317-F520 HydrophobicContact CG2-CZ 3.89Å
318Y91.4Very high92.2Very high8 Ų829.1 Ų29.13%0.03116%0.156CC..Hα-helixtrans-62.7-35.6177.3-83.1-71.4000113K314 T315 I321 V322 V533 F548 V552K314-Y318 HydrophobicContact CD-CE2 4.14Å; K314-Y318 HydrophobicContact CG-CD2 3.73Å; K314-Y318 HydrophobicContact CG-CE2 3.71Å; K314-Y318 WeakPolarHBondContact O-CD2 3.34Å; K314-Y318 PolarHBondContact O-N 2.84Å; T315-Y318 PolarHBondContact O-N 2.9Å; Y318-I321 HydrophobicContact CD1-CD1 4.32Å; Y318-I321 PolarHBondContact O-N 2.87Å; Y318-V322 WeakPolarHBondContact O-CB 3.44Å; Y318-V322 VanDerWaalsContact O-CG2 3.26Å; Y318-V322 WeakPolarHBondContact O-CG2 3.36Å; Y318-V322 PolarHBondContact O-N 3.01Å; Y318-V533 HydrophobicContact CD1-CG1 3.78Å; Y318-V533 HydrophobicContact CE1-CG1 3.99Å; Y318-F548 HydrophobicContact CD1-CE2 4.45Å; Y318-F548 AromaticContact CD1-CZ 3.76Å; Y318-F548 HydrophobicContact CD1-CZ 3.76Å; Y318-F548 HydrophobicContact CD2-CZ 4.33Å; Y318-F548 AromaticContact CE1-CE2 3.93Å; Y318-F548 HydrophobicContact CE1-CE2 3.93Å; Y318-F548 AromaticContact CE1-CZ 3.62Å; Y318-F548 HydrophobicContact CE1-CZ 3.62Å; Y318-F548 HydrophobicContact CE2-CZ 4.23Å; Y318-F548 HydrophobicContact CG-CZ 4.1Å; Y318-F548 AromaticContact CZ-CZ 3.86Å; Y318-V552 HydrophobicContact CD2-CG1 3.67Å; Y318-V552 HydrophobicContact CD2-CG2 4.38Å; Y318-V552 HydrophobicContact CG-CG1 3.94Å
319H95.9Very high92.7Very high0 Ų028.6 Ų28.60%015%0.152CC..Hα-helixtrans-57.3-55.3173.2171.172.2000111.1T315 L316 T317 I321 V322 E323 T364 T367 L556 K559 H561T315-H319 WeakPolarHBondContact O-CB 3.49Å; T315-H319 PolarHBondContact O-N 3.25Å; L316-H319 WeakPolarHBondContact O-CB 3.45Å; L316-H319 PolarHBondContact O-N 2.78Å; T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 PolarHBondContact O-N 2.88Å; H319-I321 VanDerWaalsContact C-N 3.27Å; H319-I321 PolarHBondContact O-N 3.3Å; H319-V322 PolarHBondContact O-N 3.36Å; H319-V322 VanDerWaalsContact O-N 3.14Å; H319-E323 WeakPolarHBondContact O-CG 3.2Å; H319-E323 PolarHBondContact O-N 3.03Å; H319-T364 PolarHBondContact NE2-O 3Å; H319-T367 PolarHBondContact CE1-O 3.33Å; H319-L556 HydrophobicContact CB-CD2 3.92Å; H319-K559 HydrophobicContact CB-CD 3.85Å; H319-H561 AromaticContact CE1-NE2 3.49Å; H319-H561 PolarHBondContact CE1-NE2 3.16Å; H319-H561 AromaticContact ND1-CD2 3.7Å; H319-H561 AromaticContact ND1-NE2 2.98Å; H319-H561 PolarHBondContact ND1-NE2 2.85Å
320R95.4Very high93.3Very high44 Ų4425 Ų2517%0.16613%0.127CC..Hα-helixtrans-59.2-36.2178.3-72.1169.6174.4-178.30.5113Y301 F303 L316 T317 A324 I363 D365Y301-R320 HydrophobicContact CD2-CB 4.32Å; Y301-R320 HydrophobicContact CE1-CG 4.09Å; Y301-R320 HydrophobicContact CE2-CB 3.92Å; Y301-R320 HydrophobicContact CE2-CG 4.17Å; F303-R320 HydrophobicContact CZ-CB 3.99Å; L316-R320 HydrophobicContact CD1-CG 4.39Å; L316-R320 WeakPolarHBondContact O-CG 3.15Å; L316-R320 PolarHBondContact O-N 3.09Å; T317-R320 PolarHBondContact O-N 3.5Å; R320-A324 WeakPolarHBondContact O-CB 3.45Å; R320-A324 PolarHBondContact O-N 2.89Å; R320-I363 HydrophobicContact CG-CG2 4.33Å; R320-D365 IonicContact CZ-OD1 2.7Å; R320-D365 VanDerWaalsContact CZ-OD1 3.31Å; R320-D365 IonicContact CZ-OD2 3.71Å; R320-D365 IonicContact NE-OD1 2.64Å; R320-D365 PolarHBondContact NE-OD1 3.03Å; R320-D365 IonicContact NE-OD2 2.75Å; R320-D365 VanDerWaalsContact NH2-CG 3.25Å; R320-D365 IonicContact NH2-OD1 3.48Å; R320-D365 PolarHBondContact NH2-OD1 2.8Å; R320-D365 IonicContact NH2-OD2 3.87Å; R320-D365 PolarHBondContact NH2-OD2 2.58Å
321I93.3Very high93.7Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-64.5-47.8175.6-66.4159.6000111F303 T317 Y318 H319 E323 A324 F325 L488 L515F303-I321 HydrophobicContact CE2-CG1 4.33Å; T317-I321 HydrophobicContact CG2-CD1 3.77Å; T317-I321 VanDerWaalsContact O-CD1 3.31Å; T317-I321 WeakPolarHBondContact O-CD1 2.99Å; T317-I321 WeakPolarHBondContact O-CG1 3.03Å; T317-I321 PolarHBondContact O-N 3.44Å; Y318-I321 HydrophobicContact CD1-CD1 4.32Å; Y318-I321 PolarHBondContact O-N 2.87Å; H319-I321 VanDerWaalsContact C-N 3.27Å; H319-I321 PolarHBondContact O-N 3.3Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 3.2Å; I321-A324 WeakPolarHBondContact O-CB 3.38Å; I321-A324 PolarHBondContact O-N 3.23Å; I321-F325 HydrophobicContact CG2-CD1 4.48Å; I321-F325 HydrophobicContact CG2-CD2 4.47Å; I321-F325 HydrophobicContact CG2-CE1 3.79Å; I321-F325 HydrophobicContact CG2-CE2 3.78Å; I321-F325 HydrophobicContact CG2-CZ 3.39Å; I321-F325 WeakPolarHBondContact O-CD1 3.35Å; I321-F325 WeakPolarHBondContact O-CG 3.01Å; I321-F325 PolarHBondContact O-N 3.18Å; I321-L488 HydrophobicContact CG2-CD2 4.39Å; I321-L515 HydrophobicContact CB-CD2 4.39Å; I321-L515 HydrophobicContact CD1-CD2 3.1Å; I321-L515 HydrophobicContact CG1-CD2 3.38Å; I321-L515 HydrophobicContact CG2-CD1 4.36Å; I321-L515 HydrophobicContact CG2-CD2 4.09Å
322V94.9Very high93.8Very high0 Ų021.2 Ų21.20%010%0.096CC..Hα-helixtrans-63.8-40.8178.4172.10000110.9Y318 H319 F325 R326 V533 N535 T542 H561Y318-V322 WeakPolarHBondContact O-CB 3.44Å; Y318-V322 VanDerWaalsContact O-CG2 3.26Å; Y318-V322 WeakPolarHBondContact O-CG2 3.36Å; Y318-V322 PolarHBondContact O-N 3.01Å; H319-V322 PolarHBondContact O-N 3.36Å; H319-V322 VanDerWaalsContact O-N 3.14Å; V322-F325 WeakPolarHBondContact O-CB 3.1Å; V322-F325 PolarHBondContact O-N 3.07Å; V322-R326 WeakPolarHBondContact O-CG 3.1Å; V322-R326 PolarHBondContact O-N 3.26Å; V322-V533 HydrophobicContact CG2-CG1 4.34Å; V322-V533 HydrophobicContact CG2-CG2 3.63Å; V322-N535 HydrophobicContact CG1-CB 3.84Å; V322-T542 HydrophobicContact CG1-CG2 4.21Å; V322-T542 WeakPolarHBondContact CG1-OG1 3.3Å; V322-T542 HydrophobicContact CG2-CG2 4.04Å; V322-H561 VanDerWaalsContact CG1-CE1 3.45Å; V322-H561 WeakPolarHBondContact CG1-CE1 3.3Å
323E97.3Very high93.6Very high0 Ų013.7 Ų13.70%06%0.062CC..Hα-helixtrans-63.7-40.8175.2-66.1-63.8110.600111.8H319 I321 F325 R326 F327 I363 T368 Y374 H561H319-E323 WeakPolarHBondContact O-CG 3.2Å; H319-E323 PolarHBondContact O-N 3.03Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 3.2Å; E323-F325 VanDerWaalsContact C-N 3.31Å; E323-F325 PolarHBondContact O-N 3.19Å; E323-R326 PolarHBondContact O-N 3.13Å; E323-R326 WeakPolarHBondContact OE1-CD 3.36Å; E323-R326 IonicContact OE1-NE 3.88Å; E323-F327 WeakPolarHBondContact O-CD2 3.33Å; E323-F327 PolarHBondContact O-N 2.9Å; E323-I363 HydrophobicContact CB-CD1 4.12Å; E323-I363 HydrophobicContact CB-CG1 4.04Å; E323-I363 HydrophobicContact CB-CG2 3.81Å; E323-I363 HydrophobicContact CG-CG2 4.1Å; E323-T368 WeakPolarHBondContact OE1-CB 3.38Å; E323-T368 PolarHBondContact OE1-OG1 3.11Å; E323-Y374 PolarHBondContact OE1-OH 2.72Å; E323-Y374 PolarHBondContact OE2-OH 3.15Å; E323-H561 IonicContact OE1-CE1 2.77Å; E323-H561 PolarHBondContact OE1-CE1 3.26Å; E323-H561 IonicContact OE1-NE2 3.31Å
324A96.1Very high93.8Very high0 Ų014 Ų140%06%0.06CC..Hα-helixtrans-59.9-41.1173.400000112I297 V298 R320 I321 A328I297-A324 HydrophobicContact CB-CB 4.11Å; I297-A324 HydrophobicContact CD1-CB 4.44Å; I297-A324 HydrophobicContact CG2-CB 3.63Å; V298-A324 HydrophobicContact CG2-CB 3.9Å; R320-A324 WeakPolarHBondContact O-CB 3.45Å; R320-A324 PolarHBondContact O-N 2.89Å; I321-A324 WeakPolarHBondContact O-CB 3.38Å; I321-A324 PolarHBondContact O-N 3.23Å; A324-A328 WeakPolarHBondContact O-CB 3.44Å; A324-A328 PolarHBondContact O-N 3Å
325F95.4Very high94.1Very high0 Ų012.3 Ų12.30%05%0.053CC..Hα-helixtrans-60.4-49.2173.6-59.4-18.9000111.1I294 I321 V322 E323 F327 A328 Y329 T484 A487 L488 N535I294-F325 HydrophobicContact CD1-CD1 3.81Å; I294-F325 HydrophobicContact CD1-CE1 4.35Å; I294-F325 HydrophobicContact CG1-CD1 4.07Å; I294-F325 HydrophobicContact CG2-CD1 3.77Å; I294-F325 HydrophobicContact CG2-CE1 3.66Å; I321-F325 HydrophobicContact CG2-CD1 4.48Å; I321-F325 HydrophobicContact CG2-CD2 4.47Å; I321-F325 HydrophobicContact CG2-CE1 3.79Å; I321-F325 HydrophobicContact CG2-CE2 3.78Å; I321-F325 HydrophobicContact CG2-CZ 3.39Å; I321-F325 WeakPolarHBondContact O-CD1 3.35Å; I321-F325 WeakPolarHBondContact O-CG 3.01Å; I321-F325 PolarHBondContact O-N 3.18Å; V322-F325 WeakPolarHBondContact O-CB 3.1Å; V322-F325 PolarHBondContact O-N 3.07Å; E323-F325 VanDerWaalsContact C-N 3.31Å; E323-F325 PolarHBondContact O-N 3.19Å; F325-F327 PolarHBondContact O-N 3.35Å; F325-A328 PolarHBondContact O-N 2.99Å; F325-Y329 VanDerWaalsContact O-CD2 3.3Å; F325-Y329 WeakPolarHBondContact O-CD2 3.08Å; F325-Y329 PolarHBondContact O-N 3.43Å; F325-T484 HydrophobicContact CB-CG2 4.13Å; F325-T484 HydrophobicContact CD1-CG2 3.85Å; F325-T484 HydrophobicContact CD2-CG2 3.52Å; F325-T484 HydrophobicContact CE1-CG2 4.05Å; F325-T484 HydrophobicContact CE2-CG2 3.74Å; F325-T484 HydrophobicContact CG-CG2 3.58Å; F325-T484 HydrophobicContact CZ-CG2 3.99Å; F325-A487 HydrophobicContact CE1-CB 4.3Å; F325-L488 HydrophobicContact CZ-CD2 4.38Å; F325-L488 HydrophobicContact CZ-CG 4.18Å; F325-N535 VanDerWaalsContact CB-O 3.27Å; F325-N535 WeakPolarHBondContact CB-O 3.44Å
326R95.8Very high94.2Very high0 Ų011.8 Ų11.80%05%0.05CC..Hα-helixtrans-57.1-47.8-179.4-69.4169.568.174.9-3.5112V322 E323 Y329 A330 T368 H369 D371 Y374 N535 L537 N540V322-R326 WeakPolarHBondContact O-CG 3.1Å; V322-R326 PolarHBondContact O-N 3.26Å; E323-R326 PolarHBondContact O-N 3.13Å; E323-R326 WeakPolarHBondContact OE1-CD 3.36Å; E323-R326 IonicContact OE1-NE 3.88Å; R326-Y329 PolarHBondContact O-N 3.39Å; R326-A330 PolarHBondContact O-N 3.08Å; R326-T368 PolarHBondContact NE-OG1 2.72Å; R326-H369 PolarHBondContact NH2-O 2.82Å; R326-H369 VanDerWaalsContact NH2-O 3.13Å; R326-D371 IonicContact NH2-OD1 3.96Å; R326-Y374 HydrophobicContact CB-CD1 3.78Å; R326-Y374 HydrophobicContact CB-CE1 3.63Å; R326-Y374 HydrophobicContact CB-CG 4.41Å; R326-Y374 PolarHBondContact NE-OH 3.27Å; R326-N535 HydrophobicContact CG-CB 4.22Å; R326-N535 WeakPolarHBondContact CG-OD1 3.43Å; R326-N535 PolarHBondContact NH1-ND2 3.09Å; R326-N535 PolarHBondContact NH1-OD1 3.03Å; R326-L537 HydrophobicContact CB-CD1 4.24Å; R326-N540 VanDerWaalsContact CZ-OD1 3.29Å; R326-N540 PolarHBondContact NH1-OD1 3.49Å; R326-N540 PolarHBondContact NH2-ND2 3.17Å; R326-N540 PolarHBondContact NH2-OD1 3.23Å; R326-N540 VanDerWaalsContact NH2-OD1 3.15Å
327F96.5Very high94.4Very high3 Ų39.7 Ų9.71%0.0134%0.039CC..Hα-helixtrans-62.3-43.1176.4-86.2-68.8000113.1I297 E323 F325 A330 K331 I359 K362 I363 Y373 Y374I297-F327 HydrophobicContact CD1-CB 4.49Å; E323-F327 WeakPolarHBondContact O-CD2 3.33Å; E323-F327 PolarHBondContact O-N 2.9Å; F325-F327 PolarHBondContact O-N 3.35Å; F327-A330 WeakPolarHBondContact O-CB 3.17Å; F327-A330 PolarHBondContact O-N 3.45Å; F327-K331 PolarHBondContact O-N 2.95Å; F327-I359 HydrophobicContact CB-CD1 4.39Å; F327-I359 HydrophobicContact CB-CG2 3.58Å; F327-I359 HydrophobicContact CD1-CG2 3.8Å; F327-I359 HydrophobicContact CD2-CG2 3.69Å; F327-I359 HydrophobicContact CE1-CG2 4.39Å; F327-I359 HydrophobicContact CE2-CG2 4.3Å; F327-I359 HydrophobicContact CG-CG2 3.4Å; F327-I359 VanDerWaalsContact CG-CG2 3.4Å; F327-K362 HydrophobicContact CE1-CB 4.36Å; F327-K362 HydrophobicContact CE1-CD 4.21Å; F327-K362 HydrophobicContact CE2-CB 4.41Å; F327-K362 HydrophobicContact CZ-CB 3.72Å; F327-K362 HydrophobicContact CZ-CD 4.37Å; F327-I363 HydrophobicContact CD2-CD1 4.27Å; F327-I363 HydrophobicContact CD2-CG1 3.84Å; F327-I363 HydrophobicContact CE2-CG1 3.62Å; F327-Y373 HydrophobicContact CE1-CE1 4.47Å; F327-Y373 HydrophobicContact CE2-CE1 4.3Å; F327-Y373 AromaticContact CZ-CD1 3.96Å; F327-Y373 HydrophobicContact CZ-CD1 3.96Å; F327-Y373 AromaticContact CZ-CE1 3.57Å; F327-Y373 HydrophobicContact CZ-CE1 3.57Å; F327-Y374 AromaticContact CD1-CD1 3.79Å; F327-Y374 HydrophobicContact CD1-CD1 3.79Å; F327-Y374 AromaticContact CD2-CD1 3.74Å; F327-Y374 HydrophobicContact CD2-CD1 3.74Å; F327-Y374 AromaticContact CD2-CE1 3.94Å; F327-Y374 HydrophobicContact CD2-CE1 3.94Å; F327-Y374 AromaticContact CE1-CD1 3.81Å; F327-Y374 HydrophobicContact CE1-CD1 3.81Å; F327-Y374 HydrophobicContact CE1-CG 4.47Å; F327-Y374 AromaticContact CE2-CD1 3.76Å; F327-Y374 HydrophobicContact CE2-CD1 3.76Å; F327-Y374 AromaticContact CE2-CE1 3.77Å; F327-Y374 HydrophobicContact CE2-CE1 3.77Å; F327-Y374 AromaticContact CG-CD1 3.76Å; F327-Y374 HydrophobicContact CG-CD1 3.76Å; F327-Y374 HydrophobicContact CG-CE1 4.42Å; F327-Y374 AromaticContact CZ-CD1 3.81Å; F327-Y374 HydrophobicContact CZ-CD1 3.81Å; F327-Y374 HydrophobicContact CZ-CE1 4.12Å
328A96Very high94.6Very high0 Ų011.8 Ų11.80%05%0.052CC..Hα-helixtrans-67.3-40.7179.800000112.4V290 L293 I294 A324 F325 A330 K331 R332V290-A328 HydrophobicContact CG1-CB 3.86Å; L293-A328 HydrophobicContact CB-CB 4.35Å; L293-A328 HydrophobicContact CD2-CB 4.21Å; L293-A328 HydrophobicContact CG-CB 4.28Å; I294-A328 HydrophobicContact CD1-CB 4.03Å; I294-A328 HydrophobicContact CG1-CB 3.38Å; A324-A328 WeakPolarHBondContact O-CB 3.44Å; A324-A328 PolarHBondContact O-N 3Å; F325-A328 PolarHBondContact O-N 2.99Å; A328-A330 VanDerWaalsContact C-N 3.33Å; A328-A330 PolarHBondContact O-N 3.26Å; A328-K331 PolarHBondContact O-N 3.48Å; A328-R332 PolarHBondContact O-N 3.44Å
329Y93.8Very high94.8Very high13 Ų1316.8 Ų16.85%0.0517%0.071CC..Hα-helixtrans-69.7-28.3175.4-84.9-97.7000112.9V290 F325 R326 K331 R332 S333 T480 T483 T484 Q536V290-Y329 HydrophobicContact CG1-CD2 4.32Å; V290-Y329 HydrophobicContact CG1-CE2 4.31Å; F325-Y329 VanDerWaalsContact O-CD2 3.3Å; F325-Y329 WeakPolarHBondContact O-CD2 3.08Å; F325-Y329 PolarHBondContact O-N 3.43Å; R326-Y329 PolarHBondContact O-N 3.39Å; Y329-K331 VanDerWaalsContact C-N 3.29Å; Y329-K331 PolarHBondContact O-N 2.98Å; Y329-R332 WeakPolarHBondContact O-CB 3.42Å; Y329-R332 PolarHBondContact O-N 3.41Å; Y329-S333 PolarHBondContact O-N 2.81Å; Y329-T480 PolarHBondContact OH-O 3.39Å; Y329-T483 VanDerWaalsContact OH-CB 3.26Å; Y329-T483 WeakPolarHBondContact OH-CB 2.9Å; Y329-T483 PolarHBondContact OH-OG1 2.7Å; Y329-T484 HydrophobicContact CE2-CG2 3.83Å; Y329-Q536 WeakPolarHBondContact CB-O 3.48Å; Y329-Q536 HydrophobicContact CD1-CB 3.5Å; Y329-Q536 VanDerWaalsContact CD1-CB 3.5Å; Y329-Q536 HydrophobicContact CD2-CB 4.44Å; Y329-Q536 HydrophobicContact CE1-CB 3.66Å; Y329-Q536 HydrophobicContact CG-CB 3.92Å
330A93.1Very high94.8Very high1 Ų121.1 Ų21.11%0.0089%0.088CC..Hα-helixtrans-58-45.6169.200000110.8R326 F327 A328 S333 Y374 L537R326-A330 PolarHBondContact O-N 3.08Å; F327-A330 WeakPolarHBondContact O-CB 3.17Å; F327-A330 PolarHBondContact O-N 3.45Å; A328-A330 VanDerWaalsContact C-N 3.33Å; A328-A330 PolarHBondContact O-N 3.26Å; A330-S333 WeakPolarHBondContact O-CB 3.32Å; A330-S333 PolarHBondContact O-N 2.76Å; A330-S333 PolarHBondContact O-OG 3.34Å; A330-Y374 WeakPolarHBondContact CB-O 3.36Å; A330-L537 HydrophobicContact CB-CD2 3.65Å
331K94.2Very high94.8Very high19 Ų1920.8 Ų20.88%0.0839%0.089CC..Hα-helixtrans-75.2-27.3178.9-56.4-51.4174.3-166.50113L293 F327 A328 Y329 S333 R334 M350 F355 E375L293-K331 HydrophobicContact CD2-CB 4.4Å; L293-K331 HydrophobicContact CD2-CG 4.3Å; F327-K331 PolarHBondContact O-N 2.95Å; A328-K331 PolarHBondContact O-N 3.48Å; Y329-K331 VanDerWaalsContact C-N 3.29Å; Y329-K331 PolarHBondContact O-N 2.98Å; K331-S333 PolarHBondContact O-N 3.24Å; K331-S333 VanDerWaalsContact O-N 3.13Å; K331-R334 PolarHBondContact O-N 2.72Å; K331-M350 HydrophobicContact CB-CE 3.85Å; K331-M350 HydrophobicContact CB-CG 4.29Å; K331-M350 HydrophobicContact CB-SD 3.86Å; K331-F355 HydrophobicContact CD-CZ 4.42Å; K331-F355 HydrophobicContact CG-CE1 4.34Å; K331-F355 HydrophobicContact CG-CZ 4.35Å; K331-E375 IonicContact NZ-OE2 3.73Å; K331-E375 PolarHBondContact NZ-OE2 3.29Å
332R93.1Very high94.9Very high11 Ų1127.5 Ų27.54%0.04213%0.125CC..Hα-helixtrans-51.9-34169.2-177179.1179.5-96-3.6112.2S287 V290 A328 Y329 R334 L335 L455 S457S287-R332 PolarHBondContact OG-NE 3.34Å; V290-R332 HydrophobicContact CG2-CB 3.72Å; V290-R332 HydrophobicContact CG2-CG 3.84Å; A328-R332 PolarHBondContact O-N 3.44Å; Y329-R332 WeakPolarHBondContact O-CB 3.42Å; Y329-R332 PolarHBondContact O-N 3.41Å; R332-R334 PolarHBondContact O-N 2.86Å; R332-L335 HydrophobicContact CG-CD1 4.48Å; R332-L335 WeakPolarHBondContact O-CB 3.12Å; R332-L335 PolarHBondContact O-N 2.99Å; R332-L455 HydrophobicContact CG-CD2 4.12Å; R332-S457 PolarHBondContact NH2-OG 2.69Å
333S88.6Confident94.9Very high4 Ų428 Ų283%0.02813%0.128CC..THydrogen-bonded Turntrans-59.3-19.8-18072.30000115Y329 A330 K331 Y378 S443Y329-S333 PolarHBondContact O-N 2.81Å; A330-S333 WeakPolarHBondContact O-CB 3.32Å; A330-S333 PolarHBondContact O-N 2.76Å; A330-S333 PolarHBondContact O-OG 3.34Å; K331-S333 PolarHBondContact O-N 3.24Å; K331-S333 VanDerWaalsContact O-N 3.13Å; S333-Y378 WeakPolarHBondContact CB-O 3.37Å; S333-S443 WeakPolarHBondContact O-CB 3.47Å; S333-S443 PolarHBondContact O-OG 3.31Å
334R91.8Very high94.8Very high95 Ų9531.9 Ų31.936%0.35815%0.152SC..THydrogen-bonded Turntrans-99.9-2.3179.4-62.6-179.762.5162.7-6.4113.4K331 R332 L346 E377 N445K331-R334 PolarHBondContact O-N 2.72Å; R332-R334 PolarHBondContact O-N 2.86Å; R334-L346 HydrophobicContact CB-CD2 3.49Å; R334-L346 VanDerWaalsContact CB-CD2 3.49Å; R334-L346 VanDerWaalsContact O-CD2 3.29Å; R334-L346 WeakPolarHBondContact O-CD2 3.5Å; R334-E377 WeakPolarHBondContact CD-OE1 3.46Å; R334-E377 IonicContact CZ-OE1 3.38Å; R334-E377 IonicContact NE-OE1 3.21Å; R334-E377 IonicContact NE-OE2 3.9Å; R334-E377 IonicContact NH1-OE1 3.41Å; R334-E377 PolarHBondContact NH1-OE1 3.28Å; R334-E377 IonicContact NH1-OE2 3.81Å; R334-N445 PolarHBondContact O-ND2 3.11Å
335L95.5Very high94.8Very high0 Ų037.4 Ų37.40%018%0.181CC..  trans-77.8161.6173-63176.1000110.8A284 P289 V290 R332 I343 L346 I347 M350 L455A284-L335 HydrophobicContact CB-CD2 4.46Å; P289-L335 HydrophobicContact CB-CD1 4.27Å; P289-L335 HydrophobicContact CG-CD1 4.43Å; V290-L335 HydrophobicContact CG2-CD1 3.67Å; R332-L335 HydrophobicContact CG-CD1 4.48Å; R332-L335 WeakPolarHBondContact O-CB 3.12Å; R332-L335 PolarHBondContact O-N 2.99Å; L335-I343 HydrophobicContact CD2-CD1 4.38Å; L335-L346 HydrophobicContact CD2-CD2 3.84Å; L335-L346 HydrophobicContact CD2-CG 4.28Å; L335-L346 HydrophobicContact CG-CD2 4.46Å; L335-I347 HydrophobicContact CD2-CG1 4.24Å; L335-M350 HydrophobicContact CD1-CE 4.33Å; L335-M350 HydrophobicContact CD1-SD 4.36Å; L335-M350 HydrophobicContact CD2-SD 4.03Å; L335-M350 HydrophobicContact CG-SD 4.31Å; L335-L455 HydrophobicContact CB-CD1 3.64Å; L335-L455 HydrophobicContact CB-CD2 4.3Å
336G95.6Very high94.8Very high0 Ų038.5 Ų38.50%019%0.187CC..  trans-177.1-167.2176.800000109.2P338 I343G336-P338 VanDerWaalsContact O-CD 3.23Å; G336-P338 WeakPolarHBondContact O-CD 3.47Å; G336-I343 WeakPolarHBondContact O-CD1 3.32Å
337D97.5Very high94.9Very high2 Ų238.9 Ų38.91%0.01119%0.189CC..  trans-71.9113.8177.8-170.6-22.4000111.3R339 Y340 L341 K452 R453D337-R339 PolarHBondContact O-N 3.18Å; D337-R339 VanDerWaalsContact O-N 3.13Å; D337-R339 VanDerWaalsContact OD1-CB 3.26Å; D337-R339 WeakPolarHBondContact OD1-CB 3.39Å; D337-R339 WeakPolarHBondContact OD1-CG 3.23Å; D337-R339 PolarHBondContact OD1-N 3.42Å; D337-R339 IonicContact OD1-NE 2.68Å; D337-R339 PolarHBondContact OD1-NE 3.4Å; D337-R339 VanDerWaalsContact OD1-NE 3.11Å; D337-R339 IonicContact OD2-CZ 3.29Å; D337-R339 IonicContact OD2-NE 3.89Å; D337-R339 PolarHBondContact OD2-NE 3.44Å; D337-R339 IonicContact OD2-NH2 3.99Å; D337-R339 PolarHBondContact OD2-NH2 3.47Å; D337-Y340 HydrophobicContact CB-CD2 4.23Å; D337-Y340 PolarHBondContact O-N 2.98Å; D337-L341 PolarHBondContact O-N 3.31Å; D337-K452 HydrophobicContact CB-CD 4.45Å; D337-K452 HydrophobicContact CB-CG 3.69Å; D337-R453 PolarHBondContact OD2-N 3.14Å
338P95.9Very high94.8Very high47 Ų4742.9 Ų42.931%0.30521%0.21SC..THydrogen-bonded Turntrans-63.5-17-179.6-19.231.2000114.1A284 G336 Y340 I343A284-P338 HydrophobicContact CB-CG 3.83Å; A284-P338 VanDerWaalsContact O-CD 3.24Å; A284-P338 WeakPolarHBondContact O-CD 3.43Å; A284-P338 VanDerWaalsContact O-CG 3.23Å; A284-P338 WeakPolarHBondContact O-CG 3.37Å; G336-P338 VanDerWaalsContact O-CD 3.23Å; G336-P338 WeakPolarHBondContact O-CD 3.47Å; P338-Y340 PolarHBondContact O-N 3.08Å; P338-I343 HydrophobicContact CB-CG1 4.39Å; P338-I343 HydrophobicContact CG-CD1 4.14Å; P338-I343 HydrophobicContact CG-CG1 4.43Å
339R95Very high94.8Very high114 Ų11446.4 Ų46.443%0.4323%0.229SC..THydrogen-bonded Turntrans-69.2-19.6175.3-57.6177-61.8152.68.7112.2D337 G451D337-R339 PolarHBondContact O-N 3.18Å; D337-R339 VanDerWaalsContact O-N 3.13Å; D337-R339 VanDerWaalsContact OD1-CB 3.26Å; D337-R339 WeakPolarHBondContact OD1-CB 3.39Å; D337-R339 WeakPolarHBondContact OD1-CG 3.23Å; D337-R339 PolarHBondContact OD1-N 3.42Å; D337-R339 IonicContact OD1-NE 2.68Å; D337-R339 PolarHBondContact OD1-NE 3.4Å; D337-R339 VanDerWaalsContact OD1-NE 3.11Å; D337-R339 IonicContact OD2-CZ 3.29Å; D337-R339 IonicContact OD2-NE 3.89Å; D337-R339 PolarHBondContact OD2-NE 3.44Å; D337-R339 IonicContact OD2-NH2 3.99Å; D337-R339 PolarHBondContact OD2-NH2 3.47Å; R339-G451 PolarHBondContact NH2-O 2.98Å
340Y96.2Very high94.9Very high90 Ų9045.8 Ų45.835%0.35323%0.227SC..THydrogen-bonded Turntrans-115.5-9.4-178.3-69.6-99.7000112.9D337 P338 Q449 P450 G451 K452D337-Y340 HydrophobicContact CB-CD2 4.23Å; D337-Y340 PolarHBondContact O-N 2.98Å; P338-Y340 PolarHBondContact O-N 3.08Å; Y340-Q449 HydrophobicContact CE1-CB 4.41Å; Y340-P450 PolarHBondContact OH-O 2.84Å; Y340-G451 WeakPolarHBondContact OH-CA 3.4Å; Y340-K452 HydrophobicContact CD2-CB 4.05Å; Y340-K452 HydrophobicContact CD2-CD 4.42Å; Y340-K452 HydrophobicContact CD2-CG 3.8Å; Y340-K452 HydrophobicContact CE1-CB 4.38Å; Y340-K452 HydrophobicContact CE2-CB 3.87Å; Y340-K452 HydrophobicContact CE2-CG 4.13Å; Y340-K452 HydrophobicContact CG-CB 4.42Å; Y340-K452 HydrophobicContact CG-CD 4.22Å; Y340-K452 HydrophobicContact CG-CG 4.1Å; Y340-K452 PolarHBondContact OH-N 2.77Å
341L95.2Very high95Very high37 Ų3747.1 Ų47.119%0.19424%0.235CC..SBendtrans-135.2141.1-173.7-58.3173.6000111.8D337 I343 N445D337-L341 PolarHBondContact O-N 3.31Å; L341-I343 HydrophobicContact CB-CG1 4.43Å; L341-I343 HydrophobicContact CB-CG2 3.96Å; L341-I343 HydrophobicContact CD1-CG2 4.29Å; L341-I343 PolarHBondContact O-N 3Å; L341-N445 HydrophobicContact CD1-CB 3.61Å; L341-N445 WeakPolarHBondContact CD1-O 3.38Å
342N95.4Very high95Very high142 Ų14247.8 Ų47.876%0.75924%0.242SC*.  trans-86.391165.8-171.8-1.4000110.2
343I95.5Very high95Very high11 Ų1151.9 Ų51.96%0.05627%0.265CS..  trans-118.816.4179.155169.2000113A284 L335 G336 P338 L341 D345 L346 I347A284-I343 HydrophobicContact CB-CD1 4.07Å; L335-I343 HydrophobicContact CD2-CD1 4.38Å; G336-I343 WeakPolarHBondContact O-CD1 3.32Å; P338-I343 HydrophobicContact CB-CG1 4.39Å; P338-I343 HydrophobicContact CG-CD1 4.14Å; P338-I343 HydrophobicContact CG-CG1 4.43Å; L341-I343 HydrophobicContact CB-CG1 4.43Å; L341-I343 HydrophobicContact CB-CG2 3.96Å; L341-I343 HydrophobicContact CD1-CG2 4.29Å; L341-I343 PolarHBondContact O-N 3Å; I343-D345 VanDerWaalsContact C-N 3.34Å; I343-D345 PolarHBondContact O-N 3.34Å; I343-L346 HydrophobicContact CB-CB 4.37Å; I343-L346 HydrophobicContact CB-CD2 4.49Å; I343-L346 HydrophobicContact CG2-CD2 4.47Å; I343-L346 WeakPolarHBondContact O-CB 3.45Å; I343-L346 PolarHBondContact O-N 3.49Å; I343-L346 VanDerWaalsContact O-N 3.11Å; I343-I347 HydrophobicContact CD1-CD1 3.99Å; I343-I347 HydrophobicContact CG1-CD1 3.89Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 2.78Å
344T95.6Very high95.3Very high80 Ų8061.1 Ų61.149%0.49130%0.3SS..Hα-helixtrans-57.7-44.7-178.8-56.30000112.1L346 I347 N348T344-L346 VanDerWaalsContact C-N 3.32Å; T344-L346 PolarHBondContact O-N 3.04Å; T344-I347 PolarHBondContact O-N 3.31Å; T344-N348 WeakPolarHBondContact O-CB 3.48Å; T344-N348 PolarHBondContact O-N 3.47Å; T344-N348 PolarHBondContact O-ND2 3.18Å
345D96.1Very high95.5Very high116 Ų11658.9 Ų58.962%0.6229%0.293SS*.Hα-helixtrans-65.7-34.7177.8-68.8-19.9000112.5I343 N349I343-D345 VanDerWaalsContact C-N 3.34Å; I343-D345 PolarHBondContact O-N 3.34Å; D345-N349 WeakPolarHBondContact O-CB 3.48Å; D345-N349 PolarHBondContact O-N 2.55Å; D345-N349 PolarHBondContact O-ND2 3.29Å
346L95.6Very high95.6Very high23 Ų2358.9 Ų58.912%0.1229%0.293CS..Hα-helixtrans-65.5-47.7175.3173.865.1000110.5R334 L335 I343 T344 N349 M350R334-L346 HydrophobicContact CB-CD2 3.49Å; R334-L346 VanDerWaalsContact CB-CD2 3.49Å; R334-L346 VanDerWaalsContact O-CD2 3.29Å; R334-L346 WeakPolarHBondContact O-CD2 3.5Å; L335-L346 HydrophobicContact CD2-CD2 3.84Å; L335-L346 HydrophobicContact CD2-CG 4.28Å; L335-L346 HydrophobicContact CG-CD2 4.46Å; I343-L346 HydrophobicContact CB-CB 4.37Å; I343-L346 HydrophobicContact CB-CD2 4.49Å; I343-L346 HydrophobicContact CG2-CD2 4.47Å; I343-L346 WeakPolarHBondContact O-CB 3.45Å; I343-L346 PolarHBondContact O-N 3.49Å; I343-L346 VanDerWaalsContact O-N 3.11Å; T344-L346 VanDerWaalsContact C-N 3.32Å; T344-L346 PolarHBondContact O-N 3.04Å; L346-N349 PolarHBondContact O-N 2.97Å; L346-M350 HydrophobicContact CD1-CG 4.18Å; L346-M350 HydrophobicContact CD1-SD 4.02Å; L346-M350 HydrophobicContact CG-SD 4.1Å; L346-M350 VanDerWaalsContact O-CG 3.29Å; L346-M350 WeakPolarHBondContact O-CG 3.26Å; L346-M350 PolarHBondContact O-N 3.2Å
347I96.5Very high95.6Very high8 Ų862.6 Ų62.64%0.04131%0.313CS..Hα-helixtrans-62-48.4178.5-67.4159.9000110L270 D283 A284 P289 L335 I343 T344 N349 M350 T351L270-I347 HydrophobicContact CD1-CG2 4.24Å; L270-I347 HydrophobicContact CD2-CG2 3.85Å; D283-I347 WeakPolarHBondContact OD1-CD1 3.06Å; A284-I347 HydrophobicContact CB-CD1 4.09Å; P289-I347 HydrophobicContact CG-CG1 4.38Å; P289-I347 HydrophobicContact CG-CG2 4.42Å; L335-I347 HydrophobicContact CD2-CG1 4.24Å; I343-I347 HydrophobicContact CD1-CD1 3.99Å; I343-I347 HydrophobicContact CG1-CD1 3.89Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 2.78Å; T344-I347 PolarHBondContact O-N 3.31Å; I347-N349 VanDerWaalsContact C-N 3.29Å; I347-N349 PolarHBondContact O-N 3.45Å; I347-M350 PolarHBondContact O-N 3.49Å; I347-M350 VanDerWaalsContact O-N 3.14Å; I347-T351 HydrophobicContact CG2-CG2 4.43Å; I347-T351 WeakPolarHBondContact O-CG2 3.34Å; I347-T351 PolarHBondContact O-N 2.97Å; I347-T351 PolarHBondContact O-OG1 3.33Å
348N95.8Very high95.6Very high87 Ų8764.1 Ų64.147%0.46533%0.329SS..Hα-helixtrans-57.9-40.6176.9-73.5-20.6000112.3T344 T351 S352T344-N348 WeakPolarHBondContact O-CB 3.48Å; T344-N348 PolarHBondContact O-N 3.47Å; T344-N348 PolarHBondContact O-ND2 3.18Å; N348-T351 PolarHBondContact O-OG1 3.17Å; N348-S352 VanDerWaalsContact O-CB 3.31Å; N348-S352 WeakPolarHBondContact O-CB 3.34Å; N348-S352 PolarHBondContact O-N 2.89Å
349N95.6Very high95.6Very high74 Ų7462.2 Ų62.240%0.39632%0.316SS..Hα-helixtrans-64.3-51.6174.2-76.5-24.7000110.6D345 L346 I347 T351 S352 F355D345-N349 WeakPolarHBondContact O-CB 3.48Å; D345-N349 PolarHBondContact O-N 2.55Å; D345-N349 PolarHBondContact O-ND2 3.29Å; L346-N349 PolarHBondContact O-N 2.97Å; I347-N349 VanDerWaalsContact C-N 3.29Å; I347-N349 PolarHBondContact O-N 3.45Å; N349-T351 PolarHBondContact O-N 3.42Å; N349-T351 VanDerWaalsContact O-N 3.17Å; N349-S352 PolarHBondContact O-N 3.36Å; N349-S352 PolarHBondContact O-OG 2.85Å; N349-F355 HydrophobicContact CB-CB 4.42Å; N349-F355 HydrophobicContact CB-CD1 4.34Å; N349-F355 HydrophobicContact CB-CD2 4.01Å; N349-F355 HydrophobicContact CB-CE2 4.33Å; N349-F355 HydrophobicContact CB-CG 4.01Å; N349-F355 WeakPolarHBondContact O-CB 3.49Å; N349-F355 WeakPolarHBondContact O-CD1 2.88Å; N349-F355 WeakPolarHBondContact O-CG 3.4Å
350M96.1Very high95.7Very high0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-60.3-26.7-178.5-70.2-176.670.900113.5P289 V290 L293 K331 L335 L346 I347P289-M350 HydrophobicContact CB-CB 4.36Å; P289-M350 HydrophobicContact CB-CE 4.3Å; P289-M350 HydrophobicContact CB-SD 4.37Å; V290-M350 HydrophobicContact CB-CE 4.48Å; V290-M350 HydrophobicContact CG2-CE 4.07Å; L293-M350 WeakPolarHBondContact CA-O 3.06Å; L293-M350 HydrophobicContact CB-CB 4.43Å; L293-M350 HydrophobicContact CB-CE 4.45Å; L293-M350 WeakPolarHBondContact CB-O 3.48Å; L293-M350 HydrophobicContact CD2-CB 4.44Å; L293-M350 HydrophobicContact CD2-CE 4.05Å; L293-M350 HydrophobicContact CD2-CG 4.16Å; L293-M350 PolarHBondContact N-O 2.55Å; K331-M350 HydrophobicContact CB-CE 3.85Å; K331-M350 HydrophobicContact CB-CG 4.29Å; K331-M350 HydrophobicContact CB-SD 3.86Å; L335-M350 HydrophobicContact CD1-CE 4.33Å; L335-M350 HydrophobicContact CD1-SD 4.36Å; L335-M350 HydrophobicContact CD2-SD 4.03Å; L335-M350 HydrophobicContact CG-SD 4.31Å; L346-M350 HydrophobicContact CD1-CG 4.18Å; L346-M350 HydrophobicContact CD1-SD 4.02Å; L346-M350 HydrophobicContact CG-SD 4.1Å; L346-M350 VanDerWaalsContact O-CG 3.29Å; L346-M350 WeakPolarHBondContact O-CG 3.26Å; L346-M350 PolarHBondContact O-N 3.2Å; I347-M350 PolarHBondContact O-N 3.49Å; I347-M350 VanDerWaalsContact O-N 3.14Å
351T94.9Very high95.7Very high30 Ų3059.6 Ų59.618%0.18432%0.322CS..THydrogen-bonded Turntrans-96.40.4178.558.80000114L270 A292 N296 I347 N348 N349L270-T351 HydrophobicContact CD1-CG2 4.14Å; L270-T351 HydrophobicContact CD2-CG2 4.45Å; A292-T351 HydrophobicContact CB-CG2 3.94Å; N296-T351 PolarHBondContact ND2-O 3.47Å; I347-T351 HydrophobicContact CG2-CG2 4.43Å; I347-T351 WeakPolarHBondContact O-CG2 3.34Å; I347-T351 PolarHBondContact O-N 2.97Å; I347-T351 PolarHBondContact O-OG1 3.33Å; N348-T351 PolarHBondContact O-OG1 3.17Å; N349-T351 PolarHBondContact O-N 3.42Å; N349-T351 VanDerWaalsContact O-N 3.17Å
352S94.6Very high95.8Very high32 Ų3261.4 Ų61.422%0.22433%0.328CS..  trans-94.6144.6-178.972.80000113.6N348 N349 F355 A356N348-S352 VanDerWaalsContact O-CB 3.31Å; N348-S352 WeakPolarHBondContact O-CB 3.34Å; N348-S352 PolarHBondContact O-N 2.89Å; N349-S352 PolarHBondContact O-N 3.36Å; N349-S352 PolarHBondContact O-OG 2.85Å; S352-F355 WeakPolarHBondContact OG-CB 3.27Å; S352-F355 PolarHBondContact OG-N 3.41Å; S352-A356 PolarHBondContact O-N 2.88Å
353D92.4Very high95.9Very high98 Ų9855.3 Ų55.352%0.52430%0.295SS..Hα-helixtrans-64.4-40.4175.1-59.5-21.8000111.7F355 A356 D357D353-F355 VanDerWaalsContact C-N 3.33Å; D353-F355 PolarHBondContact O-N 2.83Å; D353-A356 WeakPolarHBondContact O-CB 3.44Å; D353-A356 PolarHBondContact O-N 3.25Å; D353-A356 VanDerWaalsContact O-N 3.17Å; D353-D357 PolarHBondContact O-N 3.16Å
354Y95.1Very high96Very high198 Ų19856.9 Ų56.978%0.77631%0.305SS*.Hα-helixtrans-57.6-44.6179.7173.2-99.7000112.4D357 G358Y354-D357 PolarHBondContact O-N 3.35Å; Y354-G358 PolarHBondContact O-N 3.24Å; Y354-G358 VanDerWaalsContact O-N 3.09Å
355F96.1Very high96.1Very high47 Ų4756.1 Ų56.121%0.20630%0.298CS..Hα-helixtrans-69.6-40178.5-172.7-106.9000111.5L293 K331 N349 S352 D353 G358 I359L293-F355 HydrophobicContact CD1-CD1 3.87Å; L293-F355 HydrophobicContact CD1-CE1 4.27Å; L293-F355 HydrophobicContact CD2-CD1 4.44Å; L293-F355 HydrophobicContact CD2-CE1 4.03Å; K331-F355 HydrophobicContact CD-CZ 4.42Å; K331-F355 HydrophobicContact CG-CE1 4.34Å; K331-F355 HydrophobicContact CG-CZ 4.35Å; N349-F355 HydrophobicContact CB-CB 4.42Å; N349-F355 HydrophobicContact CB-CD1 4.34Å; N349-F355 HydrophobicContact CB-CD2 4.01Å; N349-F355 HydrophobicContact CB-CE2 4.33Å; N349-F355 HydrophobicContact CB-CG 4.01Å; N349-F355 WeakPolarHBondContact O-CB 3.49Å; N349-F355 WeakPolarHBondContact O-CD1 2.88Å; N349-F355 WeakPolarHBondContact O-CG 3.4Å; S352-F355 WeakPolarHBondContact OG-CB 3.27Å; S352-F355 PolarHBondContact OG-N 3.41Å; D353-F355 VanDerWaalsContact C-N 3.33Å; D353-F355 PolarHBondContact O-N 2.83Å; F355-G358 PolarHBondContact O-N 2.93Å; F355-I359 HydrophobicContact CD1-CD1 4.03Å; F355-I359 HydrophobicContact CE1-CD1 3.53Å; F355-I359 HydrophobicContact CE1-CG1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 4.04Å; F355-I359 PolarHBondContact O-N 2.83Å
356A96.1Very high96.1Very high0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-61.8-41.1175.100000112.2L293 N296 I297 S352 D353 I359 R360L293-A356 HydrophobicContact CD1-CB 4.19Å; N296-A356 HydrophobicContact CB-CB 3.46Å; N296-A356 VanDerWaalsContact CB-CB 3.46Å; I297-A356 HydrophobicContact CG1-CB 4.02Å; S352-A356 PolarHBondContact O-N 2.88Å; D353-A356 WeakPolarHBondContact O-CB 3.44Å; D353-A356 PolarHBondContact O-N 3.25Å; D353-A356 VanDerWaalsContact O-N 3.17Å; A356-I359 PolarHBondContact O-N 3.44Å; A356-R360 WeakPolarHBondContact O-CB 3.3Å; A356-R360 PolarHBondContact O-N 2.87Å
357D96.3Very high96.2Very high78 Ų7856.2 Ų56.242%0.41730%0.3SS..Hα-helixtrans-62.2-42.7174.5-74.7-18.3000111.9D353 Y354 I359 R360 S361D353-D357 PolarHBondContact O-N 3.16Å; Y354-D357 PolarHBondContact O-N 3.35Å; D357-I359 VanDerWaalsContact C-N 3.34Å; D357-I359 PolarHBondContact O-N 3.4Å; D357-R360 PolarHBondContact O-N 2.8Å; D357-R360 IonicContact OD1-CZ 3.72Å; D357-R360 IonicContact OD1-NH1 3.46Å; D357-R360 PolarHBondContact OD1-NH1 2.85Å; D357-R360 IonicContact OD1-NH2 3.22Å; D357-R360 PolarHBondContact OD1-NH2 2.92Å; D357-S361 PolarHBondContact O-N 3.06Å
358G97.2Very high96.2Very high34 Ų3456.5 Ų56.535%0.35130%0.302SS..Hα-helixtrans-60.6-42.2174.700000112.2Y354 F355 S361Y354-G358 PolarHBondContact O-N 3.24Å; Y354-G358 VanDerWaalsContact O-N 3.09Å; F355-G358 PolarHBondContact O-N 2.93Å; G358-S361 PolarHBondContact O-OG 3.14Å
359I96.8Very high96.1Very high7 Ų754.2 Ų54.24%0.03629%0.288CS..Hα-helixtrans-66.5-43.6173.3-71.1-178000111.2L293 I297 F327 F355 A356 D357 S361 K362 I363L293-I359 HydrophobicContact CD1-CD1 4.16Å; L293-I359 HydrophobicContact CD2-CD1 3.98Å; L293-I359 HydrophobicContact CG-CD1 4.47Å; I297-I359 HydrophobicContact CD1-CB 4.16Å; I297-I359 HydrophobicContact CD1-CD1 4.35Å; I297-I359 HydrophobicContact CD1-CG2 3.54Å; I297-I359 HydrophobicContact CG1-CB 4.31Å; I297-I359 HydrophobicContact CG1-CG2 4.05Å; F327-I359 HydrophobicContact CB-CD1 4.39Å; F327-I359 HydrophobicContact CB-CG2 3.58Å; F327-I359 HydrophobicContact CD1-CG2 3.8Å; F327-I359 HydrophobicContact CD2-CG2 3.69Å; F327-I359 HydrophobicContact CE1-CG2 4.39Å; F327-I359 HydrophobicContact CE2-CG2 4.3Å; F327-I359 HydrophobicContact CG-CG2 3.4Å; F327-I359 VanDerWaalsContact CG-CG2 3.4Å; F355-I359 HydrophobicContact CD1-CD1 4.03Å; F355-I359 HydrophobicContact CE1-CD1 3.53Å; F355-I359 HydrophobicContact CE1-CG1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 4.04Å; F355-I359 PolarHBondContact O-N 2.83Å; A356-I359 PolarHBondContact O-N 3.44Å; D357-I359 VanDerWaalsContact C-N 3.34Å; D357-I359 PolarHBondContact O-N 3.4Å; I359-S361 PolarHBondContact O-N 3.45Å; I359-K362 WeakPolarHBondContact O-CA 3.45Å; I359-K362 WeakPolarHBondContact O-CB 3.27Å; I359-K362 PolarHBondContact O-N 2.99Å; I359-I363 PolarHBondContact O-N 3.29Å
360R96.8Very high95.9Very high47 Ų4754.7 Ų54.718%0.17730%0.296CS..Hα-helixtrans-57.8-36.9179.9-158.4-174.9-51.3119.415.2111.8N296 I297 Y301 A356 D357 K362 I363N296-R360 PolarHBondContact O-NH2 3.12Å; I297-R360 HydrophobicContact CG2-CG 4.5Å; I297-R360 PolarHBondContact O-NE 3.11Å; Y301-R360 HydrophobicContact CD1-CG 4.47Å; Y301-R360 HydrophobicContact CD2-CG 4.29Å; Y301-R360 HydrophobicContact CE1-CG 3.84Å; Y301-R360 HydrophobicContact CE2-CG 3.63Å; Y301-R360 WeakPolarHBondContact OH-CG 3.43Å; A356-R360 WeakPolarHBondContact O-CB 3.3Å; A356-R360 PolarHBondContact O-N 2.87Å; D357-R360 PolarHBondContact O-N 2.8Å; D357-R360 IonicContact OD1-CZ 3.72Å; D357-R360 IonicContact OD1-NH1 3.46Å; D357-R360 PolarHBondContact OD1-NH1 2.85Å; D357-R360 IonicContact OD1-NH2 3.22Å; D357-R360 PolarHBondContact OD1-NH2 2.92Å; R360-K362 PolarHBondContact O-N 2.06Å; R360-I363 PolarHBondContact O-N 2.9Å; R360-I363 VanDerWaalsContact O-N 3.16Å
361S97.3Very high95.4Very high103 Ų10356.1 Ų56.172%0.7230%0.303SS*.THydrogen-bonded Turntrans-65.8-17.4174.875.10000115D357 G358 I359D357-S361 PolarHBondContact O-N 3.06Å; G358-S361 PolarHBondContact O-OG 3.14Å; I359-S361 PolarHBondContact O-N 3.45Å
362K97.2Very high95Very high75 Ų7560.8 Ų60.833%0.32633%0.327SS..THydrogen-bonded Turntrans-88.6-18.6174.7-63.2-178.9178.3-175.30112.1F327 I359 R360 T364 Y373 E375F327-K362 HydrophobicContact CE1-CB 4.36Å; F327-K362 HydrophobicContact CE1-CD 4.21Å; F327-K362 HydrophobicContact CE2-CB 4.41Å; F327-K362 HydrophobicContact CZ-CB 3.72Å; F327-K362 HydrophobicContact CZ-CD 4.37Å; I359-K362 WeakPolarHBondContact O-CA 3.45Å; I359-K362 WeakPolarHBondContact O-CB 3.27Å; I359-K362 PolarHBondContact O-N 2.99Å; R360-K362 PolarHBondContact O-N 2.06Å; K362-T364 PolarHBondContact O-N 3.46Å; K362-Y373 HydrophobicContact CB-CE1 4.4Å; K362-Y373 PolarHBondContact O-OH 2.94Å; K362-E375 IonicContact NZ-OE1 3.73Å; K362-E375 PolarHBondContact NZ-OE1 3.33Å; K362-E375 IonicContact NZ-OE2 2.9Å
363I97.6Very high94.9Very high14 Ų1462.8 Ų62.87%0.07233%0.33CS..  trans-73.8115.7179.3-63.9172.6000109.2I297 Y301 R320 E323 F327 I359 R360I297-I363 HydrophobicContact CG2-CD1 3.71Å; Y301-I363 HydrophobicContact CE2-CD1 4.29Å; Y301-I363 WeakPolarHBondContact OH-CB 3.46Å; Y301-I363 WeakPolarHBondContact OH-CD1 3.36Å; Y301-I363 VanDerWaalsContact OH-CG2 3.23Å; Y301-I363 WeakPolarHBondContact OH-CG2 3.21Å; R320-I363 HydrophobicContact CG-CG2 4.33Å; E323-I363 HydrophobicContact CB-CD1 4.12Å; E323-I363 HydrophobicContact CB-CG1 4.04Å; E323-I363 HydrophobicContact CB-CG2 3.81Å; E323-I363 HydrophobicContact CG-CG2 4.1Å; F327-I363 HydrophobicContact CD2-CD1 4.27Å; F327-I363 HydrophobicContact CD2-CG1 3.84Å; F327-I363 HydrophobicContact CE2-CG1 3.62Å; I359-I363 PolarHBondContact O-N 3.29Å; R360-I363 PolarHBondContact O-N 2.9Å; R360-I363 VanDerWaalsContact O-N 3.16Å
364T97.1Very high94.8Very high43 Ų4358.1 Ų58.126%0.26431%0.305SS..  trans-91.8129.417652.10000110.5H319 K362 D366 T367 H369H319-T364 PolarHBondContact NE2-O 3Å; K362-T364 PolarHBondContact O-N 3.46Å; T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 2.94Å; T364-T367 PolarHBondContact OG1-O 3.14Å; T364-H369 PolarHBondContact OG1-NE2 3.07Å
365D97.3Very high94.4Very high64 Ų6452.9 Ų52.934%0.34229%0.288SS..THydrogen-bonded Turntrans-68.9-18.7-173.4-78.5-17.1000115L316 R320 K559L316-D365 HydrophobicContact CD1-CB 3.63Å; R320-D365 IonicContact CZ-OD1 2.7Å; R320-D365 VanDerWaalsContact CZ-OD1 3.31Å; R320-D365 IonicContact CZ-OD2 3.71Å; R320-D365 IonicContact NE-OD1 2.64Å; R320-D365 PolarHBondContact NE-OD1 3.03Å; R320-D365 IonicContact NE-OD2 2.75Å; R320-D365 VanDerWaalsContact NH2-CG 3.25Å; R320-D365 IonicContact NH2-OD1 3.48Å; R320-D365 PolarHBondContact NH2-OD1 2.8Å; R320-D365 IonicContact NH2-OD2 3.87Å; R320-D365 PolarHBondContact NH2-OD2 2.58Å; D365-K559 WeakPolarHBondContact O-CE 3.45Å; D365-K559 PolarHBondContact O-NZ 3.35Å
366D96.6Very high93.5Very high113 Ų11352 Ų5260%0.60429%0.287SS*.THydrogen-bonded Turntrans-100.7-16.4-170.463.5-38000114.4T364 K559T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 2.94Å; D366-K559 WeakPolarHBondContact O-CG 3.24Å
367T96.8Very high92.5Very high28 Ų2855.6 Ų55.617%0.17230%0.304CS..  trans-156.5153-175.9-156.40000113.8H319 T364 K559 N560H319-T367 PolarHBondContact CE1-O 3.33Å; T364-T367 PolarHBondContact OG1-O 3.14Å; T367-K559 CarbonylContact C-O 3.39Å; T367-K559 WeakPolarHBondContact CA-O 2.95Å; T367-N560 PolarHBondContact OG1-ND2 3.32Å
368T96.1Very high91.4Very high14 Ų1455 Ų559%0.08630%0.296CS..PPolyproline II helixtrans-90151.5161.8-165.20000110.7E323 R326 Y374 K559 N560 H561E323-T368 WeakPolarHBondContact OE1-CB 3.38Å; E323-T368 PolarHBondContact OE1-OG1 3.11Å; R326-T368 PolarHBondContact NE-OG1 2.72Å; T368-Y374 PolarHBondContact OG1-OH 2.74Å; T368-K559 PolarHBondContact N-O 3.35Å; T368-N560 HydrophobicContact CG2-CB 4.18Å; T368-N560 VanDerWaalsContact CG2-O 3.31Å; T368-N560 WeakPolarHBondContact CG2-O 3.47Å; T368-H561 WeakPolarHBondContact CB-NE2 3.44Å
369H94.8Very high90.3Very high39 Ų3955.5 Ų55.518%0.18129%0.288CS..PPolyproline II helixtrans-100.6162.2-178.6-62-80.6000113.6R326 T364 Y373 Y374R326-H369 PolarHBondContact NH2-O 2.82Å; R326-H369 VanDerWaalsContact NH2-O 3.13Å; T364-H369 PolarHBondContact OG1-NE2 3.07Å; H369-Y373 HydrophobicContact CB-CD1 3.42Å; H369-Y373 VanDerWaalsContact CB-CD1 3.42Å; H369-Y373 HydrophobicContact CB-CD2 4.06Å; H369-Y373 HydrophobicContact CB-CE1 4.2Å; H369-Y373 HydrophobicContact CB-CG 3.33Å; H369-Y373 AromaticContact CD2-CD1 3.49Å; H369-Y373 VanDerWaalsContact CD2-CD1 3.49Å; H369-Y373 WeakPolarHBondContact CD2-CD1 3.34Å; H369-Y373 AromaticContact CD2-CE1 3.34Å; H369-Y373 WeakPolarHBondContact CD2-CE1 3.27Å; H369-Y373 AromaticContact CD2-CZ 3.8Å; H369-Y373 AromaticContact CG-CD1 3.46Å; H369-Y373 VanDerWaalsContact CG-CD1 3.46Å; H369-Y373 AromaticContact CG-CD2 3.86Å; H369-Y373 AromaticContact CG-CE1 3.73Å; H369-Y373 AromaticContact CG-CG 3.52Å; H369-Y373 AromaticContact NE2-CE1 3.92Å; H369-Y373 AromaticContact NE2-CZ 3.94Å; H369-Y374 HydrophobicContact CB-CE2 4.09Å; H369-Y374 PolarHBondContact N-OH 2.82Å; H369-Y374 VanDerWaalsContact N-OH 3.08Å; H369-Y374 VanDerWaalsContact O-CE2 3.29Å; H369-Y374 WeakPolarHBondContact O-CE2 3.38Å; H369-Y374 PolarHBondContact O-OH 2.74Å
370P90.4Very high89Confident84 Ų8455.8 Ų55.855%0.54529%0.291SS..PPolyproline II helixtrans-61.5160.7166.8-18.631.8000112.2N372 Y373 Y374P370-N372 VanDerWaalsContact C-N 3.27Å; P370-N372 PolarHBondContact O-N 2.85Å; P370-N372 VanDerWaalsContact O-N 3.15Å; P370-Y373 WeakPolarHBondContact O-CB 3.21Å; P370-Y373 PolarHBondContact O-N 3.1Å; P370-Y374 WeakPolarHBondContact O-CE2 3.22Å
371D86.3Confident87.4Confident30 Ų3054.4 Ų54.416%0.1629%0.288CS..G310 helixtrans-58.6-36.2-169.3-61.4-11.8000113.5R326 Y373 Y374 P376 N538 N540R326-D371 IonicContact NH2-OD1 3.96Å; D371-Y373 PolarHBondContact O-N 3.47Å; D371-Y373 VanDerWaalsContact O-N 3.1Å; D371-Y374 PolarHBondContact O-N 2.76Å; D371-Y374 VanDerWaalsContact O-N 3.13Å; D371-P376 HydrophobicContact CB-CG 4.36Å; D371-P376 WeakPolarHBondContact O-CD 3.31Å; D371-P376 WeakPolarHBondContact O-CG 3.15Å; D371-N538 PolarHBondContact OD2-OD1 2.82Å; D371-N540 WeakPolarHBondContact OD1-CB 3.39Å; D371-N540 PolarHBondContact OD1-ND2 3.44Å
372N86.7Confident85.9Confident128 Ų12852.3 Ų52.368%0.68427%0.267SS*.G310 helixtrans-58.6-24.1179.165.5-11.5000113.9P370 Y374 E375P370-N372 VanDerWaalsContact C-N 3.27Å; P370-N372 PolarHBondContact O-N 2.85Å; P370-N372 VanDerWaalsContact O-N 3.15Å; N372-Y374 VanDerWaalsContact C-N 3.34Å; N372-E375 PolarHBondContact O-N 2.78Å
373Y92.1Very high84.1Confident74 Ų7448.9 Ų48.929%0.2925%0.252SS..G310 helixtrans-65.8-35.4178.2-176.3-101.9000113.2F327 K362 H369 P370 D371 E375F327-Y373 HydrophobicContact CE1-CE1 4.47Å; F327-Y373 HydrophobicContact CE2-CE1 4.3Å; F327-Y373 AromaticContact CZ-CD1 3.96Å; F327-Y373 HydrophobicContact CZ-CD1 3.96Å; F327-Y373 AromaticContact CZ-CE1 3.57Å; F327-Y373 HydrophobicContact CZ-CE1 3.57Å; K362-Y373 HydrophobicContact CB-CE1 4.4Å; K362-Y373 PolarHBondContact O-OH 2.94Å; H369-Y373 HydrophobicContact CB-CD1 3.42Å; H369-Y373 VanDerWaalsContact CB-CD1 3.42Å; H369-Y373 HydrophobicContact CB-CD2 4.06Å; H369-Y373 HydrophobicContact CB-CE1 4.2Å; H369-Y373 HydrophobicContact CB-CG 3.33Å; H369-Y373 AromaticContact CD2-CD1 3.49Å; H369-Y373 VanDerWaalsContact CD2-CD1 3.49Å; H369-Y373 WeakPolarHBondContact CD2-CD1 3.34Å; H369-Y373 AromaticContact CD2-CE1 3.34Å; H369-Y373 WeakPolarHBondContact CD2-CE1 3.27Å; H369-Y373 AromaticContact CD2-CZ 3.8Å; H369-Y373 AromaticContact CG-CD1 3.46Å; H369-Y373 VanDerWaalsContact CG-CD1 3.46Å; H369-Y373 AromaticContact CG-CD2 3.86Å; H369-Y373 AromaticContact CG-CE1 3.73Å; H369-Y373 AromaticContact CG-CG 3.52Å; H369-Y373 AromaticContact NE2-CE1 3.92Å; H369-Y373 AromaticContact NE2-CZ 3.94Å; P370-Y373 WeakPolarHBondContact O-CB 3.21Å; P370-Y373 PolarHBondContact O-N 3.1Å; D371-Y373 PolarHBondContact O-N 3.47Å; D371-Y373 VanDerWaalsContact O-N 3.1Å; Y373-E375 PolarHBondContact O-N 3.07Å
374Y91.1Very high82.8Confident0 Ų051.3 Ų51.30%026%0.263CS..G310 helixtrans-81.5-2.1179.9-51.1-91.1000112E323 R326 F327 A330 T368 H369 P370 D371 N372 P376 L537E323-Y374 PolarHBondContact OE1-OH 2.72Å; E323-Y374 PolarHBondContact OE2-OH 3.15Å; R326-Y374 HydrophobicContact CB-CD1 3.78Å; R326-Y374 HydrophobicContact CB-CE1 3.63Å; R326-Y374 HydrophobicContact CB-CG 4.41Å; R326-Y374 PolarHBondContact NE-OH 3.27Å; F327-Y374 AromaticContact CD1-CD1 3.79Å; F327-Y374 HydrophobicContact CD1-CD1 3.79Å; F327-Y374 AromaticContact CD2-CD1 3.74Å; F327-Y374 HydrophobicContact CD2-CD1 3.74Å; F327-Y374 AromaticContact CD2-CE1 3.94Å; F327-Y374 HydrophobicContact CD2-CE1 3.94Å; F327-Y374 AromaticContact CE1-CD1 3.81Å; F327-Y374 HydrophobicContact CE1-CD1 3.81Å; F327-Y374 HydrophobicContact CE1-CG 4.47Å; F327-Y374 AromaticContact CE2-CD1 3.76Å; F327-Y374 HydrophobicContact CE2-CD1 3.76Å; F327-Y374 AromaticContact CE2-CE1 3.77Å; F327-Y374 HydrophobicContact CE2-CE1 3.77Å; F327-Y374 AromaticContact CG-CD1 3.76Å; F327-Y374 HydrophobicContact CG-CD1 3.76Å; F327-Y374 HydrophobicContact CG-CE1 4.42Å; F327-Y374 AromaticContact CZ-CD1 3.81Å; F327-Y374 HydrophobicContact CZ-CD1 3.81Å; F327-Y374 HydrophobicContact CZ-CE1 4.12Å; A330-Y374 WeakPolarHBondContact CB-O 3.36Å; T368-Y374 PolarHBondContact OG1-OH 2.74Å; H369-Y374 HydrophobicContact CB-CE2 4.09Å; H369-Y374 PolarHBondContact N-OH 2.82Å; H369-Y374 VanDerWaalsContact N-OH 3.08Å; H369-Y374 VanDerWaalsContact O-CE2 3.29Å; H369-Y374 WeakPolarHBondContact O-CE2 3.38Å; H369-Y374 PolarHBondContact O-OH 2.74Å; P370-Y374 WeakPolarHBondContact O-CE2 3.22Å; D371-Y374 PolarHBondContact O-N 2.76Å; D371-Y374 VanDerWaalsContact O-N 3.13Å; N372-Y374 VanDerWaalsContact C-N 3.34Å; Y374-P376 VanDerWaalsContact C-CD 3.5Å; Y374-L537 HydrophobicContact CD2-CD1 3.49Å; Y374-L537 VanDerWaalsContact CD2-CD1 3.49Å; Y374-L537 HydrophobicContact CE2-CD1 4.1Å; Y374-L537 HydrophobicContact CG-CD1 3.8Å
375E86Confident81.1Confident89 Ų8949.5 Ų49.542%0.41625%0.253SS..  trans55.649.9-178.2-52.9155.4-165.800112.7K331 K362 N372 Y373 E377K331-E375 IonicContact NZ-OE2 3.73Å; K331-E375 PolarHBondContact NZ-OE2 3.29Å; K362-E375 IonicContact NZ-OE1 3.73Å; K362-E375 PolarHBondContact NZ-OE1 3.33Å; K362-E375 IonicContact NZ-OE2 2.9Å; N372-E375 PolarHBondContact O-N 2.78Å; Y373-E375 PolarHBondContact O-N 3.07Å; E375-E377 PolarHBondContact O-N 3.07Å
376P77.4Confident80.7Confident27 Ų2746.6 Ų46.618%0.17524%0.237CC..  trans-69.9124.8169.629.4-31.7000109.1D371 Y374 L537D371-P376 HydrophobicContact CB-CG 4.36Å; D371-P376 WeakPolarHBondContact O-CD 3.31Å; D371-P376 WeakPolarHBondContact O-CG 3.15Å; Y374-P376 VanDerWaalsContact C-CD 3.5Å; P376-L537 HydrophobicContact CB-CD2 3.65Å; P376-L537 HydrophobicContact CG-CD2 3.9Å
377E73.8Confident80.5Confident76 Ų7641.2 Ų41.236%0.35521%0.209SC..  trans-88.8-33.8175.2-69.1175.7-147.500110.9R334 E375R334-E377 WeakPolarHBondContact CD-OE1 3.46Å; R334-E377 IonicContact CZ-OE1 3.38Å; R334-E377 IonicContact NE-OE1 3.21Å; R334-E377 IonicContact NE-OE2 3.9Å; R334-E377 IonicContact NH1-OE1 3.41Å; R334-E377 PolarHBondContact NH1-OE1 3.28Å; R334-E377 IonicContact NH1-OE2 3.81Å; E375-E377 PolarHBondContact O-N 3.07Å
378Y74.9Confident80.5Confident67 Ų6739.9 Ų39.926%0.26320%0.201SC..  trans-143.2157.7-171.1-49.9-70.3000113.4S333 P441 S443 P444S333-Y378 WeakPolarHBondContact CB-O 3.37Å; Y378-P441 WeakPolarHBondContact CA-O 2.8Å; Y378-P441 HydrophobicContact CD1-CG 4.25Å; Y378-S443 VanDerWaalsContact CB-CA 3.45Å; Y378-P444 VanDerWaalsContact CD1-CD 3.41Å; Y378-P444 HydrophobicContact CD1-CG 4.35Å; Y378-P444 HydrophobicContact CE1-CG 3.85Å
379F74.2Confident80.6Confident43 Ų4339.2 Ų39.219%0.18920%0.197CC..BIsolated β-bridgetrans-90.6142.7166.2174-101.4000110.6N436 I440 P441 S443 N538F379-N436 HydrophobicContact CB-CB 4.24Å; F379-N436 HydrophobicContact CD1-CB 3.84Å; F379-N436 HydrophobicContact CD2-CB 3.93Å; F379-N436 VanDerWaalsContact CD2-ND2 3.35Å; F379-N436 WeakPolarHBondContact CD2-ND2 3.22Å; F379-N436 HydrophobicContact CE1-CB 4.16Å; F379-N436 HydrophobicContact CE2-CB 4.24Å; F379-N436 HydrophobicContact CG-CB 3.72Å; F379-N436 HydrophobicContact CZ-CB 4.34Å; F379-I440 HydrophobicContact CB-CB 4.27Å; F379-I440 HydrophobicContact CB-CG2 4.07Å; F379-P441 PolarHBondContact N-O 3.45Å; F379-S443 PolarHBondContact O-N 2.9Å; F379-S443 VanDerWaalsContact O-N 3.13Å; F379-N538 HydrophobicContact CD2-CB 4.28Å
380V67.6Low80.7Confident14 Ų1437.4 Ų37.49%0.08519%0.188CC..  trans-117.7134171.8-1780000107.8L455V380-L455 HydrophobicContact CG1-CD2 3.8Å; V380-L455 HydrophobicContact CG2-CD2 4.07Å
381P65.1Low81.1Confident18 Ų1833.4 Ų33.412%0.11716%0.162CC..  trans-50149.5175.4-26.534.3000113.6D427 F429P381-D427 WeakPolarHBondContact CB-O 3.33Å; P381-F429 WeakPolarHBondContact CG-O 3.45Å
382E65Low81.7Confident58 Ų5832 Ų3227%0.27115%0.154SC..  trans-77.2136.8168.3-65.9-167.717000109.2H384 T480 Q536 P539E382-H384 IonicContact OE2-CE1 2.69Å; E382-H384 IonicContact OE2-NE2 3.25Å; E382-T480 HydrophobicContact CB-CG2 4.18Å; E382-T480 HydrophobicContact CG-CG2 4.31Å; E382-Q536 PolarHBondContact OE1-NE2 2.79Å; E382-P539 WeakPolarHBondContact OE1-CD 3.47Å
383N58.6Low82.3Confident4 Ų426 Ų262%0.02112%0.123CC..  trans-110.8161.1170.871.34.4000110.4D428 S457 G479 T480N383-D428 VanDerWaalsContact CB-CG 3.47Å; N383-D428 WeakPolarHBondContact CB-OD1 3.28Å; N383-D428 WeakPolarHBondContact CB-OD2 3.5Å; N383-D428 PolarHBondContact ND2-OD2 3.15Å; N383-S457 PolarHBondContact ND2-N 3.41Å; N383-G479 WeakPolarHBondContact O-CA 3.49Å; N383-G479 WeakPolarHBondContact OD1-CA 3.4Å; N383-T480 PolarHBondContact O-N 3.38Å; N383-T480 PolarHBondContact OD1-N 3.39Å
384H70.9Confident82.5Confident64 Ų6427.2 Ų27.230%0.29613%0.131SC..  trans-140.6-164.3-174.4-59.2-77.4000112.1E382 T386 N406 L407E382-H384 IonicContact OE2-CE1 2.69Å; E382-H384 IonicContact OE2-NE2 3.25Å; H384-T386 PolarHBondContact O-OG1 2.85Å; H384-N406 CarbonylContact C-O 3.44Å; H384-N406 PolarHBondContact N-OD1 3.34Å; H384-N406 VanDerWaalsContact O-O 3.05Å; H384-L407 HydrophobicContact CB-CD2 3.64Å; H384-L407 WeakPolarHBondContact CD2-CD2 3.37Å
385G62.2Low82.7Confident6 Ų630.4 Ų30.46%0.06215%0.148CC..  trans32.699.517200000116.2S85 T404 N406S85-G385 CarbonylContact O-C 3.29Å; G385-T404 WeakPolarHBondContact O-CB 3.22Å; G385-T404 PolarHBondContact O-OG1 3.18Å; G385-N406 CarbonylContact C-O 3.6Å; G385-N406 WeakPolarHBondContact CA-O 3.48Å; G385-N406 PolarHBondContact N-O 2.99Å; G385-N406 VanDerWaalsContact N-O 3.1Å
386T87.8Confident83.2Confident2 Ų227 Ų271%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-142.6162.5-177.6-44.50000108.8S85 H384 T402 S403 M458 S477 I482 K591S85-T386 WeakPolarHBondContact CB-O 3.36Å; H384-T386 PolarHBondContact O-OG1 2.85Å; T386-T402 HydrophobicContact CG2-CG2 3.27Å; T386-S403 CarbonylContact C-O 3.46Å; T386-S403 WeakPolarHBondContact CA-O 3.24Å; T386-S403 VanDerWaalsContact CG2-O 3.23Å; T386-S403 WeakPolarHBondContact CG2-O 3.44Å; T386-M458 HydrophobicContact CG2-CG 4.26Å; T386-M458 HydrophobicContact CG2-SD 4.18Å; T386-S477 WeakPolarHBondContact O-CB 3.49Å; T386-S477 PolarHBondContact O-OG 3.48Å; T386-I482 HydrophobicContact CG2-CD1 3.77Å; T386-K591 PolarHBondContact O-NZ 3.44Å
387A91.9Very high84.2Confident0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-132.3149.2163.200000111.1D49 V78 M86 T402 S403D49-A387 HydrophobicContact CB-CB 4.28Å; D49-A387 WeakPolarHBondContact OD2-CA 3.35Å; V78-A387 HydrophobicContact CG1-CB 3.54Å; M86-A387 HydrophobicContact CB-CB 4.28Å; M86-A387 HydrophobicContact CG-CB 3.77Å; M86-A387 HydrophobicContact SD-CB 4.06Å; A387-T402 WeakPolarHBondContact O-CA 3.38Å; A387-S403 PolarHBondContact N-O 3.25Å; A387-S403 PolarHBondContact O-N 3.1Å
388H97.1Very high85.4Confident1 Ų122.6 Ų22.61%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-122.5152.9177.3-173.369.4000111.3D49 S390 A401 T402 G475 Q574D49-H388 PolarHBondContact N-O 3.44Å; D49-H388 PolarHBondContact OD1-N 2.61Å; H388-S390 PolarHBondContact NE2-OG 3.07Å; H388-A401 CarbonylContact C-O 3.23Å; H388-A401 WeakPolarHBondContact CA-O 3.36Å; H388-A401 PolarHBondContact CE1-O 2.67Å; H388-A401 PolarHBondContact ND1-O 3.3Å; H388-T402 PolarHBondContact ND1-OG1 3.36Å; H388-G475 VanDerWaalsContact CD2-CA 3.4Å; H388-G475 WeakPolarHBondContact CD2-CA 3.43Å; H388-G475 PolarHBondContact CD2-N 3.47Å; H388-G475 PolarHBondContact CD2-O 2.81Å; H388-G475 VanDerWaalsContact CE1-CA 3.48Å; H388-G475 WeakPolarHBondContact CE1-CA 3.35Å; H388-G475 VanDerWaalsContact CG-C 3.45Å; H388-G475 VanDerWaalsContact NE2-CA 3.28Å; H388-G475 WeakPolarHBondContact NE2-CA 3.46Å; H388-G475 PolarHBondContact NE2-N 2.93Å; H388-Q574 HydrophobicContact CB-CG 4.28Å; H388-Q574 WeakPolarHBondContact O-CG 3.21Å
389L97.6Very high86.6Confident0 Ų019.4 Ų19.40%010%0.102CC..EExtended strand (participates in β ladder)trans-138.2132.7175.5-178.779.2000110V46 A47 A48 S71 A74 L75 V391 A400 A401V46-L389 HydrophobicContact CG1-CD1 3.7Å; A47-L389 WeakPolarHBondContact O-CA 3.49Å; A48-L389 HydrophobicContact CB-CD1 3.5Å; A48-L389 VanDerWaalsContact CB-CD1 3.5Å; S71-L389 VanDerWaalsContact CA-CD2 3.41Å; A74-L389 HydrophobicContact CB-CD1 3.88Å; A74-L389 HydrophobicContact CB-CD2 3.95Å; L75-L389 HydrophobicContact CD2-CB 4.07Å; L75-L389 HydrophobicContact CG-CD2 4.13Å; L389-V391 HydrophobicContact CD1-CG2 4.44Å; L389-V391 HydrophobicContact CD2-CG2 3.83Å; L389-V391 HydrophobicContact CG-CG2 3.96Å; L389-A400 WeakPolarHBondContact O-CA 3.4Å; L389-A401 PolarHBondContact N-O 2.83Å; L389-A401 PolarHBondContact O-N 3.39Å
390S98.6Very high87.7Confident0 Ų017.3 Ų17.30%09%0.093CC..EExtended strand (participates in β ladder)trans-120.9130.2171.9-71.30000110.8V46 A47 H388 V473 V474 Q574 V576V46-S390 WeakPolarHBondContact CA-O 3.41Å; A47-S390 PolarHBondContact N-O 3.07Å; A47-S390 PolarHBondContact O-N 2.96Å; H388-S390 PolarHBondContact NE2-OG 3.07Å; S390-V473 PolarHBondContact OG-O 3.44Å; S390-V474 WeakPolarHBondContact OG-CA 3.47Å; S390-V474 PolarHBondContact OG-N 3.45Å; S390-Q574 PolarHBondContact OG-O 3.42Å; S390-V576 WeakPolarHBondContact O-CG2 3.4Å
391V98.8Very high89.2Confident0 Ų016.7 Ų16.70%09%0.089CC..EExtended strand (participates in β ladder)trans-133.5133.5-178.3-177.50000110.7V46 L61 A67 S71 L389 A398 V399V46-V391 HydrophobicContact CG1-CG2 4.16Å; V46-V391 HydrophobicContact CG2-CG1 4.21Å; V46-V391 HydrophobicContact CG2-CG2 4.22Å; L61-V391 HydrophobicContact CD1-CG1 4.16Å; A67-V391 HydrophobicContact CB-CG1 4.14Å; S71-V391 WeakPolarHBondContact OG-CG2 3.35Å; L389-V391 HydrophobicContact CD1-CG2 4.44Å; L389-V391 HydrophobicContact CD2-CG2 3.83Å; L389-V391 HydrophobicContact CG-CG2 3.96Å; V391-A398 VanDerWaalsContact O-CA 3.25Å; V391-A398 WeakPolarHBondContact O-CA 3.37Å; V391-V399 HydrophobicContact CB-CB 4.43Å; V391-V399 PolarHBondContact N-O 3.29Å; V391-V399 PolarHBondContact O-N 2.94Å
392I98.6Very high90.8Very high0 Ų015.8 Ų15.80%08%0.084CC..EExtended strand (participates in β ladder)trans-122.8121.5159.8-61.2-177.2000107.7A44 A45 A398 V470 V473 V576 L583A44-I392 WeakPolarHBondContact CA-O 3.32Å; A44-I392 WeakPolarHBondContact CB-O 3.48Å; A45-I392 PolarHBondContact N-O 3.48Å; A45-I392 PolarHBondContact O-N 2.74Å; I392-A398 HydrophobicContact CG1-CB 4.31Å; I392-V470 HydrophobicContact CD1-CB 4.5Å; I392-V470 HydrophobicContact CD1-CG1 3.68Å; I392-V470 HydrophobicContact CG1-CG1 4.14Å; I392-V473 HydrophobicContact CD1-CG2 3.89Å; I392-V473 HydrophobicContact CG1-CB 4.36Å; I392-V473 HydrophobicContact CG1-CG2 3.49Å; I392-V473 VanDerWaalsContact CG1-CG2 3.49Å; I392-V576 HydrophobicContact CB-CG1 4.01Å; I392-V576 HydrophobicContact CD1-CB 4.19Å; I392-V576 HydrophobicContact CD1-CG1 3.72Å; I392-V576 HydrophobicContact CG1-CB 4.12Å; I392-V576 HydrophobicContact CG1-CG1 3.76Å; I392-L583 HydrophobicContact CB-CD1 4.01Å; I392-L583 HydrophobicContact CB-CD2 4.47Å; I392-L583 HydrophobicContact CD1-CD2 4.09Å; I392-L583 HydrophobicContact CG2-CD1 3.87Å; I392-L583 HydrophobicContact CG2-CD2 4.07Å
393A98.3Very high92.3Very high3 Ų313 Ų133%0.0257%0.071CC..  trans-87.6167.1178.100000112.4L61 A67 D395 G396 S397L61-A393 HydrophobicContact CD2-CB 3.87Å; A67-A393 HydrophobicContact CB-CB 3.87Å; A393-D395 VanDerWaalsContact C-N 3.26Å; A393-D395 PolarHBondContact O-N 2.79Å; A393-G396 PolarHBondContact O-N 3.26Å; A393-S397 PolarHBondContact N-O 3.42Å
394E96.2Very high94.2Very high100 Ų10013 Ų1347%0.4677%0.071SC..THydrogen-bonded Turntrans-61.3-31.6-177.2-179166.1-177.100113.2K43 G396K43-E394 HydrophobicContact CB-CB 4.25Å; K43-E394 HydrophobicContact CB-CG 3.97Å; K43-E394 WeakPolarHBondContact CE-OE1 3.24Å; K43-E394 HydrophobicContact CG-CG 4.23Å; K43-E394 IonicContact NZ-OE1 3.42Å; K43-E394 PolarHBondContact NZ-OE1 2.96Å; K43-E394 IonicContact NZ-OE2 3.2Å; K43-E394 WeakPolarHBondContact O-CA 3.22Å; E394-G396 PolarHBondContact O-N 3.03Å
395D96.2Very high95.5Very high67 Ų6710 Ų1036%0.3586%0.057SC..THydrogen-bonded Turntrans-80.21.4176.763.916.4000113.9A99 R154 A393 S397A99-D395 WeakPolarHBondContact CB-O 3.44Å; R154-D395 IonicContact CZ-OD2 2.92Å; R154-D395 VanDerWaalsContact CZ-OD2 3.25Å; R154-D395 IonicContact NH1-OD2 3.31Å; R154-D395 PolarHBondContact NH1-OD2 2.82Å; R154-D395 IonicContact NH2-OD2 2.65Å; R154-D395 PolarHBondContact NH2-OD2 3.36Å; A393-D395 VanDerWaalsContact C-N 3.26Å; A393-D395 PolarHBondContact O-N 2.79Å; D395-S397 VanDerWaalsContact C-N 3.33Å; D395-S397 WeakPolarHBondContact OD1-CB 3.42Å; D395-S397 PolarHBondContact OD1-N 2.7Å; D395-S397 PolarHBondContact OD1-OG 3.45Å
396G96.7Very high97.1Very high16 Ų169.8 Ų9.817%0.1655%0.054CC..SBendtrans86.5-5-177.600000114.7A393 E394A393-G396 PolarHBondContact O-N 3.26Å; E394-G396 PolarHBondContact O-N 3.03Å
397S98.6Very high97.4Very high11 Ų1110.9 Ų10.98%0.0776%0.06CC..  trans-64.8149172.7-52.20000110Y97 A99 A393 D395Y97-S397 VanDerWaalsContact O-CA 3.31Å; Y97-S397 WeakPolarHBondContact O-CA 3.23Å; Y97-S397 VanDerWaalsContact O-CB 3.3Å; Y97-S397 WeakPolarHBondContact O-CB 3.46Å; A99-S397 PolarHBondContact N-OG 3.15Å; A393-S397 PolarHBondContact N-O 3.42Å; D395-S397 VanDerWaalsContact C-N 3.33Å; D395-S397 WeakPolarHBondContact OD1-CB 3.42Å; D395-S397 PolarHBondContact OD1-N 2.7Å; D395-S397 PolarHBondContact OD1-OG 3.45Å
398A98.8Very high97.5Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-140.9147.9-172.100000111.9Y97 V391 I392 I462 V470 V473Y97-A398 PolarHBondContact N-O 2.77Å; Y97-A398 PolarHBondContact O-N 3.04Å; V391-A398 VanDerWaalsContact O-CA 3.25Å; V391-A398 WeakPolarHBondContact O-CA 3.37Å; I392-A398 HydrophobicContact CG1-CB 4.31Å; A398-I462 HydrophobicContact CB-CD1 4.15Å; A398-V470 HydrophobicContact CB-CB 4.44Å; A398-V470 HydrophobicContact CB-CG1 3.91Å; A398-V470 HydrophobicContact CB-CG2 3.89Å; A398-V473 HydrophobicContact CB-CG2 3.63Å
399V98.9Very high97.5Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-138.3125.5176.5178.80000109.3A67 V68 S71 F94 I95 I96 V391 A401 V473A67-V399 HydrophobicContact CB-CG2 3.75Å; V68-V399 HydrophobicContact CG2-CG2 3.75Å; S71-V399 WeakPolarHBondContact OG-CB 3.13Å; S71-V399 VanDerWaalsContact OG-CG1 3.28Å; S71-V399 WeakPolarHBondContact OG-CG1 3.49Å; F94-V399 HydrophobicContact CD1-CG1 3.66Å; F94-V399 HydrophobicContact CE1-CG1 4.03Å; I95-V399 WeakPolarHBondContact O-CA 3.19Å; I96-V399 HydrophobicContact CG1-CG2 4.25Å; I96-V399 HydrophobicContact CG2-CG2 4.21Å; V391-V399 HydrophobicContact CB-CB 4.43Å; V391-V399 PolarHBondContact N-O 3.29Å; V391-V399 PolarHBondContact O-N 2.94Å; V399-A401 HydrophobicContact CG1-CB 4.35Å; V399-V473 VanDerWaalsContact O-CG1 3.31Å; V399-V473 WeakPolarHBondContact O-CG1 3.29Å
400A98.8Very high97.4Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-108.5130.3160.200000108.4I95 L389 P460 I462 V473I95-A400 HydrophobicContact CG2-CB 3.57Å; I95-A400 WeakPolarHBondContact CG2-O 3.29Å; I95-A400 PolarHBondContact N-O 3.31Å; I95-A400 PolarHBondContact O-N 3.27Å; I95-A400 VanDerWaalsContact O-N 3.07Å; L389-A400 WeakPolarHBondContact O-CA 3.4Å; A400-P460 HydrophobicContact CB-CB 3.79Å; A400-I462 HydrophobicContact CB-CG1 4.4Å; A400-V473 HydrophobicContact CB-CG1 3.54Å
401A98.6Very high97.3Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-136.3131.7-177.300000111L75 Y93 F94 H388 L389 V399L75-A401 HydrophobicContact CD1-CB 3.87Å; Y93-A401 WeakPolarHBondContact O-CA 3.44Å; F94-A401 HydrophobicContact CD1-CB 3.51Å; F94-A401 HydrophobicContact CE1-CB 3.52Å; H388-A401 CarbonylContact C-O 3.23Å; H388-A401 WeakPolarHBondContact CA-O 3.36Å; H388-A401 PolarHBondContact CE1-O 2.67Å; H388-A401 PolarHBondContact ND1-O 3.3Å; L389-A401 PolarHBondContact N-O 2.83Å; L389-A401 PolarHBondContact O-N 3.39Å; V399-A401 HydrophobicContact CG1-CB 4.35Å
402T98.4Very high97.2Very high0 Ų016.6 Ų16.60%08%0.083CC..EExtended strand (participates in β ladder)trans-124.4122.1175.9-490000108.7L92 Y93 T386 A387 H388 M458L92-T402 VanDerWaalsContact CA-O 3.24Å; L92-T402 WeakPolarHBondContact CA-O 3.31Å; L92-T402 VanDerWaalsContact CB-O 3.28Å; L92-T402 WeakPolarHBondContact CB-O 3.26Å; Y93-T402 PolarHBondContact N-O 2.9Å; Y93-T402 PolarHBondContact O-N 2.69Å; T386-T402 HydrophobicContact CG2-CG2 3.27Å; A387-T402 WeakPolarHBondContact O-CA 3.38Å; H388-T402 PolarHBondContact ND1-OG1 3.36Å; T402-M458 HydrophobicContact CG2-CB 4.01Å; T402-M458 HydrophobicContact CG2-CG 3.54Å; T402-M458 HydrophobicContact CG2-SD 3.52Å; T402-M458 VanDerWaalsContact CG2-SD 3.52Å
403S97.8Very high97.1Very high0 Ų017.4 Ų17.40%09%0.088CC..EExtended strand (participates in β ladder)trans-123.4151.2-178.2166.80000111M86 G91 E141 T386 A387M86-S403 VanDerWaalsContact CE-OG 3.3Å; M86-S403 WeakPolarHBondContact CE-OG 3.45Å; G91-S403 WeakPolarHBondContact O-CA 3.31Å; G91-S403 PolarHBondContact O-OG 2.83Å; E141-S403 PolarHBondContact OE2-OG 2.86Å; T386-S403 CarbonylContact C-O 3.46Å; T386-S403 WeakPolarHBondContact CA-O 3.24Å; T386-S403 VanDerWaalsContact CG2-O 3.23Å; T386-S403 WeakPolarHBondContact CG2-O 3.44Å; A387-S403 PolarHBondContact N-O 3.25Å; A387-S403 PolarHBondContact O-N 3.1Å
404T97.7Very high97Very high4 Ų417.6 Ų17.63%0.0259%0.089CC..EExtended strand (participates in β ladder)trans-153.2156-176.4-176.30000112.1S85 G90 G91 G385 N406 M458S85-T404 WeakPolarHBondContact O-CA 3.07Å; G90-T404 WeakPolarHBondContact CA-O 3.44Å; G91-T404 PolarHBondContact N-O 2.89Å; G91-T404 VanDerWaalsContact N-O 3.16Å; G91-T404 PolarHBondContact O-N 3.4Å; G385-T404 WeakPolarHBondContact O-CB 3.22Å; G385-T404 PolarHBondContact O-OG1 3.18Å; T404-N406 VanDerWaalsContact OG1-CA 3.3Å; T404-N406 WeakPolarHBondContact OG1-CA 3.5Å; T404-N406 PolarHBondContact OG1-N 3.24Å; T404-M458 HydrophobicContact CG2-CE 3.51Å; T404-M458 HydrophobicContact CG2-SD 3.92Å
405I97.7Very high97.1Very high1 Ų113 Ų131%0.0057%0.067CC..  trans-117.223.216055.5167.6000110.2S85 L407 G410 I421 N423 D424S85-I405 PolarHBondContact O-N 2.85Å; S85-I405 VanDerWaalsContact O-N 3.11Å; I405-L407 PolarHBondContact O-N 3.14Å; I405-G410 WeakPolarHBondContact O-CA 3.1Å; I405-I421 HydrophobicContact CD1-CG2 3.85Å; I405-N423 HydrophobicContact CB-CB 4.15Å; I405-N423 HydrophobicContact CG2-CB 4.47Å; I405-N423 WeakPolarHBondContact O-CA 3.35Å; I405-D424 PolarHBondContact O-N 2.7Å
406N95.7Very high97.1Very high0 Ų016.2 Ų16.20%07%0.074CC..SBendtrans59-112.4-169-165.515.2000115.6H384 G385 T404 D424 D428H384-N406 CarbonylContact C-O 3.44Å; H384-N406 PolarHBondContact N-OD1 3.34Å; H384-N406 VanDerWaalsContact O-O 3.05Å; G385-N406 CarbonylContact C-O 3.6Å; G385-N406 WeakPolarHBondContact CA-O 3.48Å; G385-N406 PolarHBondContact N-O 2.99Å; G385-N406 VanDerWaalsContact N-O 3.1Å; T404-N406 VanDerWaalsContact OG1-CA 3.3Å; T404-N406 WeakPolarHBondContact OG1-CA 3.5Å; T404-N406 PolarHBondContact OG1-N 3.24Å; N406-D424 VanDerWaalsContact CB-OD1 3.3Å; N406-D424 WeakPolarHBondContact CB-OD1 3.42Å; N406-D424 PolarHBondContact ND2-O 2.76Å; N406-D428 PolarHBondContact ND2-OD1 3.1Å
407L93.8Very high97.1Very high26 Ų2618 Ų1814%0.1368%0.084CC..SBendtrans-65.2170-173.4-59.2-168.9000111.3R130 H384 I405 F409 G410 D424R130-L407 HydrophobicContact CB-CD1 3.91Å; R130-L407 HydrophobicContact CG-CD1 3.77Å; H384-L407 HydrophobicContact CB-CD2 3.64Å; H384-L407 WeakPolarHBondContact CD2-CD2 3.37Å; I405-L407 PolarHBondContact O-N 3.14Å; L407-F409 PolarHBondContact O-N 3.22Å; L407-G410 WeakPolarHBondContact O-CA 3.06Å; L407-G410 PolarHBondContact O-N 2.81Å; L407-D424 WeakPolarHBondContact CB-OD2 2.83Å; L407-D424 WeakPolarHBondContact CD1-OD2 3.36Å; L407-D424 WeakPolarHBondContact CG-OD2 3.43Å; L407-D424 PolarHBondContact N-OD1 3.13Å
408Y94.3Very high97.1Very high80 Ų8017.7 Ų17.731%0.3148%0.082SC..THydrogen-bonded Turntrans-55.9118.1176.4-79.5-2.7000111.3H84 A181 G410 K412H84-Y408 AromaticContact CD2-CD1 3.72Å; H84-Y408 AromaticContact CD2-CE1 3.6Å; H84-Y408 CarbonylContact O-C 3.58Å; H84-Y408 WeakPolarHBondContact O-CA 3.23Å; A181-Y408 HydrophobicContact CB-CD2 3.72Å; A181-Y408 HydrophobicContact CB-CE2 3.87Å; A181-Y408 HydrophobicContact CB-CG 4.16Å; Y408-G410 PolarHBondContact O-N 3.41Å; Y408-K412 WeakPolarHBondContact O-CE 3.45Å; Y408-K412 PolarHBondContact O-NZ 3.03Å
409F96.8Very high97.1Very high0 Ų018 Ų180%08%0.084CC..THydrogen-bonded Turntrans60.826-173-49.7-77.7000114.5H84 L178 A181 I182 I189 M195 F199 L407 S411 K412 I421H84-F409 HydrophobicContact CB-CD1 3.93Å; H84-F409 HydrophobicContact CB-CD2 4.2Å; H84-F409 HydrophobicContact CB-CE1 3.64Å; H84-F409 HydrophobicContact CB-CE2 3.91Å; H84-F409 HydrophobicContact CB-CG 4.22Å; H84-F409 HydrophobicContact CB-CZ 3.63Å; H84-F409 PolarHBondContact O-N 3.43Å; L178-F409 HydrophobicContact CD1-CE1 4.11Å; L178-F409 HydrophobicContact CD1-CZ 4.07Å; A181-F409 HydrophobicContact CB-CE2 4.03Å; A181-F409 HydrophobicContact CB-CZ 4.27Å; I182-F409 HydrophobicContact CG1-CZ 3.85Å; I189-F409 HydrophobicContact CD1-CE2 3.88Å; I189-F409 HydrophobicContact CD1-CZ 4.03Å; M195-F409 HydrophobicContact CE-CB 3.66Å; M195-F409 HydrophobicContact CE-CD1 3.58Å; M195-F409 HydrophobicContact CE-CD2 4.3Å; M195-F409 HydrophobicContact CE-CE1 4.22Å; M195-F409 HydrophobicContact CE-CG 3.6Å; F199-F409 HydrophobicContact CD2-CE1 4.34Å; F199-F409 HydrophobicContact CE1-CE1 4.23Å; F199-F409 HydrophobicContact CE2-CD1 4.19Å; F199-F409 AromaticContact CE2-CE1 3.76Å; F199-F409 HydrophobicContact CE2-CE1 3.76Å; F199-F409 HydrophobicContact CZ-CD1 4.38Å; F199-F409 AromaticContact CZ-CE1 3.69Å; F199-F409 HydrophobicContact CZ-CE1 3.69Å; L407-F409 PolarHBondContact O-N 3.22Å; F409-S411 PolarHBondContact O-N 2.89Å; F409-K412 HydrophobicContact CB-CD 4.27Å; F409-K412 WeakPolarHBondContact O-CA 3.3Å; F409-K412 PolarHBondContact O-N 3.01Å; F409-I421 HydrophobicContact CB-CG2 4.3Å; F409-I421 HydrophobicContact CD1-CD1 4.08Å; F409-I421 WeakPolarHBondContact O-CG2 3.4Å
410G96.5Very high97Very high0 Ų018 Ų180%09%0.085CC..THydrogen-bonded Turntrans48.4-129177.900000113.6I405 L407 Y408 K412 F422 D424I405-G410 WeakPolarHBondContact O-CA 3.1Å; L407-G410 WeakPolarHBondContact O-CA 3.06Å; L407-G410 PolarHBondContact O-N 2.81Å; Y408-G410 PolarHBondContact O-N 3.41Å; G410-K412 PolarHBondContact O-N 3.23Å; G410-F422 WeakPolarHBondContact CA-O 3.35Å; G410-D424 VanDerWaalsContact C-CG 3.46Å; G410-D424 VanDerWaalsContact CA-OD1 3.22Å; G410-D424 WeakPolarHBondContact CA-OD1 3.48Å
411S96.8Very high97Very high0 Ų018.8 Ų18.80%09%0.089CC..THydrogen-bonded Turntrans-60.2-5176.761.20000115.3T131 G132 S135 F409 V413 F422 N423T131-S411 WeakPolarHBondContact CA-O 3.19Å; G132-S411 PolarHBondContact N-O 3.47Å; G132-S411 WeakPolarHBondContact O-CB 3.49Å; S135-S411 VanDerWaalsContact OG-CB 3.27Å; S135-S411 WeakPolarHBondContact OG-CB 3.27Å; F409-S411 PolarHBondContact O-N 2.89Å; S411-V413 PolarHBondContact O-N 2.88Å; S411-V413 WeakPolarHBondContact OG-CB 3.42Å; S411-V413 PolarHBondContact OG-N 3.28Å; S411-F422 PolarHBondContact N-O 2.64Å; S411-F422 PolarHBondContact OG-O 2.97Å; S411-N423 WeakPolarHBondContact CB-O 3.28Å
412K96.1Very high97Very high41 Ų4118.8 Ų18.818%0.1789%0.089CC..SBendtrans64.811.7-168.9-43.6-60.6178.51670113.7T131 S185 S188 Y408 F409 G410T131-K412 HydrophobicContact CG2-CG 3.98Å; S185-K412 PolarHBondContact OG-NZ 3.42Å; S188-K412 WeakPolarHBondContact OG-CB 3.42Å; S188-K412 WeakPolarHBondContact OG-CG 3.5Å; Y408-K412 WeakPolarHBondContact O-CE 3.45Å; Y408-K412 PolarHBondContact O-NZ 3.03Å; F409-K412 HydrophobicContact CB-CD 4.27Å; F409-K412 WeakPolarHBondContact O-CA 3.3Å; F409-K412 PolarHBondContact O-N 3.01Å; G410-K412 PolarHBondContact O-N 3.23Å
413V96.4Very high97Very high17 Ų1718.8 Ų18.810%0.1039%0.089CC..  trans-98.6120.2177.1-175.90000108.8I136 A249 S411 F422I136-V413 HydrophobicContact CD1-CB 4.25Å; I136-V413 HydrophobicContact CD1-CG1 4.48Å; I136-V413 HydrophobicContact CD1-CG2 4.39Å; A249-V413 HydrophobicContact CB-CB 4.43Å; A249-V413 HydrophobicContact CB-CG1 3.63Å; A249-V413 HydrophobicContact CB-CG2 3.88Å; S411-V413 PolarHBondContact O-N 2.88Å; S411-V413 WeakPolarHBondContact OG-CB 3.42Å; S411-V413 PolarHBondContact OG-N 3.28Å; V413-F422 HydrophobicContact CB-CD2 4.31Å; V413-F422 HydrophobicContact CG1-CD2 3.97Å; V413-F422 PolarHBondContact O-N 3.19Å
414M97.5Very high97Very high7 Ų718.8 Ų18.83%0.0349%0.089CC..BIsolated β-bridgetrans-107.4126166.3-180-175.8-80.300109.2N194 M195 V198 F199 R416 I420 I421N194-M414 HydrophobicContact CB-CB 4.12Å; N194-M414 HydrophobicContact CB-CG 4.21Å; N194-M414 HydrophobicContact CB-SD 4.15Å; N194-M414 PolarHBondContact ND2-O 3.06Å; M195-M414 HydrophobicContact CG-CB 4Å; M195-M414 HydrophobicContact SD-CB 3.69Å; M195-M414 HydrophobicContact SD-CE 3.64Å; M195-M414 HydrophobicContact SD-SD 4.33Å; V198-M414 HydrophobicContact CB-CE 4.17Å; V198-M414 HydrophobicContact CG1-CE 4.43Å; V198-M414 HydrophobicContact CG2-CE 3.91Å; V198-M414 HydrophobicContact CG2-SD 3.8Å; F199-M414 HydrophobicContact CE2-CE 3.82Å; M414-R416 PolarHBondContact O-N 3.43Å; M414-I420 CarbonylContact C-O 3.59Å; M414-I420 VanDerWaalsContact CA-O 3.31Å; M414-I420 WeakPolarHBondContact CA-O 3.31Å; M414-I421 HydrophobicContact CB-CG1 4.37Å; M414-I421 HydrophobicContact CE-CD1 3.64Å; M414-I421 HydrophobicContact CE-CG1 3.48Å; M414-I421 VanDerWaalsContact CE-CG1 3.48Å; M414-I421 HydrophobicContact CG-CG1 4.28Å
415S97.7Very high97Very high2 Ų218.6 Ų18.61%0.0149%0.088CC..  trans-59.3121.4174.6162.50000110.1D245 S417 T418 G419 I420D245-S415 WeakPolarHBondContact OD2-CB 3.49Å; D245-S415 PolarHBondContact OD2-OG 2.82Å; S415-S417 PolarHBondContact O-N 3.23Å; S415-S417 PolarHBondContact OG-N 2.97Å; S415-T418 WeakPolarHBondContact CB-OG1 3.41Å; S415-T418 PolarHBondContact OG-N 3.35Å; S415-T418 PolarHBondContact OG-OG1 3.4Å; S415-G419 WeakPolarHBondContact O-CA 3.46Å; S415-G419 PolarHBondContact O-N 3.2Å; S415-I420 PolarHBondContact N-O 3Å
416R95.8Very high97Very high136 Ų13618.6 Ų18.651%0.5139%0.088SC..THydrogen-bonded Turntrans-62.8-24.7175.764.7-178.9175.21773.4112.7N194 K217 D245 M414N194-R416 WeakPolarHBondContact OD1-CB 3.41Å; K217-R416 WeakPolarHBondContact CD-O 3.41Å; K217-R416 WeakPolarHBondContact CE-O 3.47Å; K217-R416 PolarHBondContact NZ-O 2.99Å; D245-R416 VanDerWaalsContact OD1-CG 3.31Å; D245-R416 WeakPolarHBondContact OD1-CG 3.14Å; D245-R416 IonicContact OD1-CZ 3.63Å; D245-R416 IonicContact OD1-NE 3.09Å; D245-R416 PolarHBondContact OD1-NE 2.75Å; D245-R416 IonicContact OD1-NH2 3.83Å; D245-R416 PolarHBondContact OD2-N 3.23Å; M414-R416 PolarHBondContact O-N 3.43Å
417S97.2Very high97Very high52 Ų5218.8 Ų18.836%0.3649%0.089SC..THydrogen-bonded Turntrans-96.2-34.4-172.4-47.10000112.8T241 D245 S415T241-S417 VanDerWaalsContact CG2-OG 3.23Å; T241-S417 WeakPolarHBondContact CG2-OG 3.22Å; D245-S417 PolarHBondContact OD1-OG 2.9Å; D245-S417 VanDerWaalsContact OD2-CB 3.22Å; D245-S417 WeakPolarHBondContact OD2-CB 3.13Å; D245-S417 PolarHBondContact OD2-N 3.27Å; D245-S417 VanDerWaalsContact OD2-N 3.09Å; D245-S417 PolarHBondContact OD2-OG 2.85Å; S415-S417 PolarHBondContact O-N 3.23Å; S415-S417 PolarHBondContact OG-N 2.97Å
418T98.1Very high97Very high6 Ų617.7 Ų17.74%0.0378%0.083CC..THydrogen-bonded Turntrans-113.6-16.3-173.864.30000113.7K217 L218 T221 M238 I242 S415 I420K217-T418 CarbonylContact C-O 3.55Å; K217-T418 VanDerWaalsContact C-O 3.23Å; L218-T418 WeakPolarHBondContact CA-O 2.98Å; L218-T418 PolarHBondContact N-O 3.05Å; T221-T418 VanDerWaalsContact OG1-CA 3.27Å; T221-T418 WeakPolarHBondContact OG1-CA 3.29Å; T221-T418 WeakPolarHBondContact OG1-CB 3.44Å; T221-T418 PolarHBondContact OG1-O 3.39Å; M238-T418 HydrophobicContact CG-CG2 4.4Å; I242-T418 HydrophobicContact CG1-CG2 3.99Å; S415-T418 WeakPolarHBondContact CB-OG1 3.41Å; S415-T418 PolarHBondContact OG-N 3.35Å; S415-T418 PolarHBondContact OG-OG1 3.4Å; T418-I420 HydrophobicContact CG2-CD1 4.34Å; T418-I420 PolarHBondContact O-N 3Å; T418-I420 WeakPolarHBondContact OG1-CB 3.43Å; T418-I420 VanDerWaalsContact OG1-CD1 3.3Å; T418-I420 WeakPolarHBondContact OG1-CD1 3.34Å; T418-I420 VanDerWaalsContact OG1-CG1 3.25Å; T418-I420 WeakPolarHBondContact OG1-CG1 2.87Å; T418-I420 PolarHBondContact OG1-N 3.38Å
419G97.9Very high97Very high5 Ų514.2 Ų14.25%0.0527%0.07CC..  trans71.79-172.900000114.3S415S415-G419 WeakPolarHBondContact O-CA 3.46Å; S415-G419 PolarHBondContact O-N 3.2Å
420I98.6Very high96.8Very high2 Ų214.3 Ų14.31%0.017%0.07CC..PPolyproline II helixtrans-70.3131.3175.5-63.6166.3000109.5I88 G89 L218 T221 F233 I242 M414 S415 T418 F422I88-I420 HydrophobicContact CD1-CD1 4.04Å; I88-I420 HydrophobicContact CD1-CG1 3.85Å; I88-I420 HydrophobicContact CG1-CG1 4.09Å; G89-I420 VanDerWaalsContact CA-CG2 3.5Å; L218-I420 HydrophobicContact CD1-CG1 4.22Å; T221-I420 HydrophobicContact CG2-CD1 4.21Å; T221-I420 HydrophobicContact CG2-CG1 4.35Å; F233-I420 HydrophobicContact CD2-CD1 4.34Å; F233-I420 HydrophobicContact CE2-CD1 3.54Å; F233-I420 HydrophobicContact CZ-CD1 4.22Å; I242-I420 HydrophobicContact CD1-CD1 3.96Å; I242-I420 HydrophobicContact CG1-CD1 4.2Å; M414-I420 CarbonylContact C-O 3.59Å; M414-I420 VanDerWaalsContact CA-O 3.31Å; M414-I420 WeakPolarHBondContact CA-O 3.31Å; S415-I420 PolarHBondContact N-O 3Å; T418-I420 HydrophobicContact CG2-CD1 4.34Å; T418-I420 PolarHBondContact O-N 3Å; T418-I420 WeakPolarHBondContact OG1-CB 3.43Å; T418-I420 VanDerWaalsContact OG1-CD1 3.3Å; T418-I420 WeakPolarHBondContact OG1-CD1 3.34Å; T418-I420 VanDerWaalsContact OG1-CG1 3.25Å; T418-I420 WeakPolarHBondContact OG1-CG1 2.87Å; T418-I420 PolarHBondContact OG1-N 3.38Å; I420-F422 HydrophobicContact CB-CE1 4.14Å; I420-F422 HydrophobicContact CB-CZ 4.3Å; I420-F422 HydrophobicContact CG2-CD1 3.74Å; I420-F422 HydrophobicContact CG2-CE1 3.58Å; I420-F422 HydrophobicContact CG2-CG 4.46Å; I420-F422 HydrophobicContact CG2-CZ 4.21Å
421I98.4Very high96.3Very high16 Ų1614.6 Ų14.68%0.0827%0.072CC..BIsolated β-bridgetrans-90.9123.4167-58.3175.7000107.4A83 G89 M195 F199 I405 F409 M414A83-I421 HydrophobicContact CB-CD1 4.27Å; G89-I421 WeakPolarHBondContact CA-O 3.39Å; M195-I421 HydrophobicContact SD-CD1 4.37Å; M195-I421 HydrophobicContact SD-CG1 4.41Å; F199-I421 HydrophobicContact CE2-CD1 4.03Å; F199-I421 HydrophobicContact CZ-CD1 4.14Å; I405-I421 HydrophobicContact CD1-CG2 3.85Å; F409-I421 HydrophobicContact CB-CG2 4.3Å; F409-I421 HydrophobicContact CD1-CD1 4.08Å; F409-I421 WeakPolarHBondContact O-CG2 3.4Å; M414-I421 HydrophobicContact CB-CG1 4.37Å; M414-I421 HydrophobicContact CE-CD1 3.64Å; M414-I421 HydrophobicContact CE-CG1 3.48Å; M414-I421 VanDerWaalsContact CE-CG1 3.48Å; M414-I421 HydrophobicContact CG-CG1 4.28Å
422F98.4Very high95.9Very high0 Ų016.1 Ų16.10%08%0.082CC..PPolyproline II helixtrans-91.7141.3-175.1-63.7-64.2000112.7I136 P139 I242 I246 G410 S411 V413 I420I136-F422 HydrophobicContact CD1-CB 3.54Å; I136-F422 HydrophobicContact CD1-CD2 3.9Å; I136-F422 HydrophobicContact CD1-CG 3.88Å; I136-F422 HydrophobicContact CG1-CB 3.85Å; I136-F422 HydrophobicContact CG2-CB 3.93Å; I136-F422 HydrophobicContact CG2-CD1 4.49Å; I136-F422 HydrophobicContact CG2-CG 4.36Å; P139-F422 HydrophobicContact CG-CD1 4.37Å; I242-F422 HydrophobicContact CG2-CE1 3.99Å; I242-F422 HydrophobicContact CG2-CZ 4.02Å; I246-F422 HydrophobicContact CD1-CD1 4.2Å; I246-F422 HydrophobicContact CD1-CE1 3.84Å; I246-F422 HydrophobicContact CD1-CE2 4.4Å; I246-F422 HydrophobicContact CD1-CZ 3.95Å; I246-F422 HydrophobicContact CG1-CD1 4.36Å; I246-F422 HydrophobicContact CG1-CD2 4.05Å; I246-F422 HydrophobicContact CG1-CE1 4.05Å; I246-F422 HydrophobicContact CG1-CE2 3.68Å; I246-F422 HydrophobicContact CG1-CG 4.37Å; I246-F422 HydrophobicContact CG1-CZ 3.69Å; G410-F422 WeakPolarHBondContact CA-O 3.35Å; S411-F422 PolarHBondContact N-O 2.64Å; S411-F422 PolarHBondContact OG-O 2.97Å; V413-F422 HydrophobicContact CB-CD2 4.31Å; V413-F422 HydrophobicContact CG1-CD2 3.97Å; V413-F422 PolarHBondContact O-N 3.19Å; I420-F422 HydrophobicContact CB-CE1 4.14Å; I420-F422 HydrophobicContact CB-CZ 4.3Å; I420-F422 HydrophobicContact CG2-CD1 3.74Å; I420-F422 HydrophobicContact CG2-CE1 3.58Å; I420-F422 HydrophobicContact CG2-CG 4.46Å; I420-F422 HydrophobicContact CG2-CZ 4.21Å
423N98.6Very high95.3Very high0 Ų021 Ų210%010%0.1CC..PPolyproline II helixtrans-56.2158.71747179.7000113G89 I136 A137 I405 S411 E425G89-N423 WeakPolarHBondContact O-CB 3.46Å; G89-N423 PolarHBondContact O-N 3.04Å; G89-N423 PolarHBondContact O-ND2 3.24Å; I136-N423 WeakPolarHBondContact CA-O 3.32Å; I136-N423 WeakPolarHBondContact CG1-O 3.32Å; A137-N423 PolarHBondContact N-OD1 2.98Å; A137-N423 PolarHBondContact O-ND2 2.97Å; I405-N423 HydrophobicContact CB-CB 4.15Å; I405-N423 HydrophobicContact CG2-CB 4.47Å; I405-N423 WeakPolarHBondContact O-CA 3.35Å; S411-N423 WeakPolarHBondContact CB-O 3.28Å; N423-E425 HydrophobicContact CB-CB 4.23Å; N423-E425 VanDerWaalsContact OD1-CB 3.24Å; N423-E425 WeakPolarHBondContact OD1-CB 3.17Å; N423-E425 PolarHBondContact OD1-N 3.5Å
424D97.8Very high94.5Very high0 Ų022.1 Ų22.10%011%0.105CC..  trans-113.145.8159.560.8-28.7000111.4R130 S135 I405 N406 L407 G410 M426 D427R130-D424 WeakPolarHBondContact CA-OD2 3.4Å; R130-D424 VanDerWaalsContact O-OD2 3.04Å; S135-D424 CarbonylContact O-C 3.56Å; S135-D424 VanDerWaalsContact O-C 3.29Å; S135-D424 VanDerWaalsContact O-CA 3.25Å; S135-D424 WeakPolarHBondContact O-CA 3.25Å; S135-D424 WeakPolarHBondContact OG-CB 3.46Å; I405-D424 PolarHBondContact O-N 2.7Å; N406-D424 VanDerWaalsContact CB-OD1 3.3Å; N406-D424 WeakPolarHBondContact CB-OD1 3.42Å; N406-D424 PolarHBondContact ND2-O 2.76Å; L407-D424 WeakPolarHBondContact CB-OD2 2.83Å; L407-D424 WeakPolarHBondContact CD1-OD2 3.36Å; L407-D424 WeakPolarHBondContact CG-OD2 3.43Å; L407-D424 PolarHBondContact N-OD1 3.13Å; G410-D424 VanDerWaalsContact C-CG 3.46Å; G410-D424 VanDerWaalsContact CA-OD1 3.22Å; G410-D424 WeakPolarHBondContact CA-OD1 3.48Å; D424-M426 PolarHBondContact O-N 2.92Å; D424-M426 VanDerWaalsContact O-N 3.17Å; D424-D427 VanDerWaalsContact O-CB 3.29Å; D424-D427 WeakPolarHBondContact O-CB 3.32Å; D424-D427 PolarHBondContact O-N 2.78Å
425E97.4Very high93.3Very high0 Ų026.4 Ų26.40%013%0.132CC..G310 helixtrans-70.1-14.9-172.2-148.164-118.500113.4R110 E111 S135 A137 N423 D427 D428 P454R110-E425 IonicContact CZ-OE1 3.72Å; R110-E425 IonicContact CZ-OE2 2.72Å; R110-E425 IonicContact NH1-OE1 2.65Å; R110-E425 PolarHBondContact NH1-OE1 3.15Å; R110-E425 VanDerWaalsContact NH1-OE1 3.1Å; R110-E425 IonicContact NH1-OE2 2.78Å; R110-E425 PolarHBondContact NH1-OE2 2.85Å; R110-E425 IonicContact NH2-OE1 3.3Å; R110-E425 PolarHBondContact NH2-OE1 2.79Å; R110-E425 IonicContact NH2-OE2 3.47Å; E111-E425 HydrophobicContact CB-CB 4.09Å; E111-E425 HydrophobicContact CB-CG 4.22Å; E111-E425 HydrophobicContact CG-CB 4.22Å; E111-E425 HydrophobicContact CG-CG 4.39Å; E111-E425 WeakPolarHBondContact OE2-CG 3.28Å; S135-E425 PolarHBondContact O-N 3.14Å; A137-E425 HydrophobicContact CB-CB 3.88Å; N423-E425 HydrophobicContact CB-CB 4.23Å; N423-E425 VanDerWaalsContact OD1-CB 3.24Å; N423-E425 WeakPolarHBondContact OD1-CB 3.17Å; N423-E425 PolarHBondContact OD1-N 3.5Å; E425-D427 PolarHBondContact O-N 3.31Å; E425-D428 PolarHBondContact O-N 3.47Å; E425-D428 VanDerWaalsContact O-N 3.14Å; E425-D428 VanDerWaalsContact OE1-CG 3.25Å; E425-D428 VanDerWaalsContact OE1-OD2 3.11Å; E425-P454 HydrophobicContact CG-CG 3.83Å
426M97.3Very high91.9Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..G310 helixtrans-63.5-18.4170-60.1-66.4-69.300112.4A113 A117 M121 F122 S135 A137 D424 D428 F429 I448A113-M426 HydrophobicContact CB-CE 3.91Å; A113-M426 HydrophobicContact CB-SD 3.93Å; A117-M426 HydrophobicContact CB-CE 4.02Å; M121-M426 HydrophobicContact CE-CE 4.32Å; M121-M426 HydrophobicContact SD-CE 3.72Å; F122-M426 HydrophobicContact CE2-CB 3.99Å; F122-M426 HydrophobicContact CZ-CB 3.65Å; S135-M426 VanDerWaalsContact O-CB 3.29Å; S135-M426 WeakPolarHBondContact O-CB 3.36Å; S135-M426 VanDerWaalsContact O-CG 3.28Å; S135-M426 WeakPolarHBondContact O-CG 3.44Å; S135-M426 PolarHBondContact O-N 3.28Å; A137-M426 HydrophobicContact CB-CG 4.01Å; A137-M426 HydrophobicContact CB-SD 3.88Å; D424-M426 PolarHBondContact O-N 2.92Å; D424-M426 VanDerWaalsContact O-N 3.17Å; M426-D428 PolarHBondContact O-N 2.78Å; M426-F429 HydrophobicContact CE-CD2 4.17Å; M426-F429 HydrophobicContact CE-CE2 4.24Å; M426-F429 PolarHBondContact O-N 3.35Å; M426-F429 HydrophobicContact SD-CD2 4.07Å; M426-F429 HydrophobicContact SD-CE2 3.86Å; M426-I448 HydrophobicContact CE-CD1 4.34Å; M426-I448 HydrophobicContact CE-CG1 4.45Å; M426-I448 HydrophobicContact CE-CG2 3.72Å
427D94.8Very high89.9Confident4 Ų424.9 Ų24.92%0.02115%0.154CC..G310 helixtrans-64.1-26.7173-159.948.4000113S129 R130 P381 D424 E425 F429S129-D427 WeakPolarHBondContact CB-OD1 3.18Å; S129-D427 VanDerWaalsContact O-CB 3.27Å; S129-D427 WeakPolarHBondContact O-CB 3.42Å; S129-D427 PolarHBondContact O-N 3.31Å; S129-D427 PolarHBondContact OG-OD1 3.37Å; R130-D427 HydrophobicContact CG-CB 4.29Å; R130-D427 WeakPolarHBondContact CG-OD1 3.26Å; R130-D427 WeakPolarHBondContact CG-OD2 3.3Å; R130-D427 IonicContact NE-OD1 3.06Å; R130-D427 PolarHBondContact NE-OD1 2.87Å; R130-D427 IonicContact NE-OD2 2.96Å; R130-D427 PolarHBondContact NE-OD2 2.72Å; P381-D427 WeakPolarHBondContact CB-O 3.33Å; D424-D427 VanDerWaalsContact O-CB 3.29Å; D424-D427 WeakPolarHBondContact O-CB 3.32Å; D424-D427 PolarHBondContact O-N 2.78Å; E425-D427 PolarHBondContact O-N 3.31Å; D427-F429 PolarHBondContact O-N 2.73Å
428D94.1Very high88Confident3 Ų328.6 Ų28.62%0.01616%0.164CC..G310 helixtrans-75.7-13.5-178.5-83.321.9000111.8R110 N383 N406 E425 M426 N446 P454R110-D428 IonicContact NH2-OD2 2.87Å; R110-D428 PolarHBondContact NH2-OD2 3.02Å; N383-D428 VanDerWaalsContact CB-CG 3.47Å; N383-D428 WeakPolarHBondContact CB-OD1 3.28Å; N383-D428 WeakPolarHBondContact CB-OD2 3.5Å; N383-D428 PolarHBondContact ND2-OD2 3.15Å; N406-D428 PolarHBondContact ND2-OD1 3.1Å; E425-D428 PolarHBondContact O-N 3.47Å; E425-D428 VanDerWaalsContact O-N 3.14Å; E425-D428 VanDerWaalsContact OE1-CG 3.25Å; E425-D428 VanDerWaalsContact OE1-OD2 3.11Å; M426-D428 PolarHBondContact O-N 2.78Å; D428-N446 PolarHBondContact O-ND2 3.23Å; D428-P454 HydrophobicContact CB-CB 3.63Å; D428-P454 HydrophobicContact CB-CG 4.16Å
429F95.2Very high86.3Confident7 Ų731 Ų313%0.03119%0.19CC..SBendtrans-75.6144.7169.5-73.7-71.1000112.1A113 P381 M426 D427 N446 I448 K452 P454A113-F429 HydrophobicContact CB-CE2 3.84Å; A113-F429 HydrophobicContact CB-CZ 4Å; P381-F429 WeakPolarHBondContact CG-O 3.45Å; M426-F429 HydrophobicContact CE-CD2 4.17Å; M426-F429 HydrophobicContact CE-CE2 4.24Å; M426-F429 PolarHBondContact O-N 3.35Å; M426-F429 HydrophobicContact SD-CD2 4.07Å; M426-F429 HydrophobicContact SD-CE2 3.86Å; D427-F429 PolarHBondContact O-N 2.73Å; F429-N446 WeakPolarHBondContact CD1-O 3.3Å; F429-I448 HydrophobicContact CB-CD1 4.25Å; F429-I448 HydrophobicContact CB-CG1 3.36Å; F429-I448 HydrophobicContact CD1-CG1 4.28Å; F429-I448 HydrophobicContact CD2-CG1 3.87Å; F429-I448 HydrophobicContact CG-CB 4.36Å; F429-I448 HydrophobicContact CG-CG1 3.6Å; F429-K452 HydrophobicContact CE1-CB 4.22Å; F429-K452 HydrophobicContact CE1-CD 4.07Å; F429-K452 HydrophobicContact CE1-CG 4Å; F429-K452 HydrophobicContact CZ-CB 4.21Å; F429-K452 HydrophobicContact CZ-CG 4.4Å; F429-K452 WeakPolarHBondContact CZ-O 3.39Å; F429-P454 HydrophobicContact CD1-CB 4Å; F429-P454 HydrophobicContact CD2-CB 3.83Å; F429-P454 HydrophobicContact CD2-CG 4.41Å; F429-P454 HydrophobicContact CE1-CB 3.97Å; F429-P454 HydrophobicContact CE2-CB 3.79Å; F429-P454 HydrophobicContact CE2-CG 4.03Å; F429-P454 HydrophobicContact CG-CB 3.93Å; F429-P454 HydrophobicContact CZ-CB 3.87Å; F429-P454 HydrophobicContact CZ-CG 4.25Å
430S91.9Very high85Confident2 Ų232 Ų321%0.01419%0.194CC..BIsolated β-bridgetrans-71.6137.6166.7-71.60000110.6S443 N446 F447S430-S443 VanDerWaalsContact CB-O 3.23Å; S430-S443 WeakPolarHBondContact CB-O 3.42Å; S430-S443 PolarHBondContact OG-N 3.11Å; S430-N446 WeakPolarHBondContact CB-O 3.49Å; S430-N446 PolarHBondContact N-ND2 2.79Å; S430-N446 PolarHBondContact N-O 3.3Å; S430-F447 WeakPolarHBondContact O-CA 3.31Å; S430-F447 WeakPolarHBondContact O-CD1 3.15Å
431S87.1Confident84.1Confident5 Ų535 Ų354%0.03521%0.213CC..  trans-110131.9174.7166.50000110.2G123 Y433 M434 P442G123-S431 PolarHBondContact O-OG 3.04Å; S431-Y433 PolarHBondContact O-N 2.93Å; S431-Y433 VanDerWaalsContact O-N 3.12Å; S431-M434 PolarHBondContact O-N 2.74Å; S431-M434 VanDerWaalsContact O-N 3.13Å; S431-P442 WeakPolarHBondContact O-CB 3.3Å; S431-P442 WeakPolarHBondContact O-CG 3.34Å
432P87.3Confident83.5Confident33 Ų3334.7 Ų34.721%0.21421%0.212CC..THydrogen-bonded Turntrans-61.3-25.1-172.725.4-36.1000114E119 F447E119-P432 HydrophobicContact CG-CG 4.17Å; E119-P432 VanDerWaalsContact O-CD 3.24Å; E119-P432 WeakPolarHBondContact O-CD 3.44Å; P432-F447 HydrophobicContact CB-CE1 4.45Å; P432-F447 HydrophobicContact CB-CE2 4.22Å; P432-F447 HydrophobicContact CB-CZ 4.02Å
433Y84.6Confident83.1Confident143 Ų14334.7 Ų34.756%0.56121%0.212SC*.THydrogen-bonded Turntrans-102.38.4-177.4-52.4-58.8000113.9D120 S431D120-Y433 HydrophobicContact CB-CD2 4.33Å; D120-Y433 HydrophobicContact CB-CE2 3.63Å; S431-Y433 PolarHBondContact O-N 2.93Å; S431-Y433 VanDerWaalsContact O-N 3.12Å
434M79.3Confident82.8Confident41 Ų4137.1 Ų37.120%0.20223%0.228CC..  trans-113.698.9179.2-71.9174.537.400110.3T126 S431T126-M434 HydrophobicContact CG2-CE 3.23Å; T126-M434 HydrophobicContact CG2-CG 4.36Å; T126-M434 HydrophobicContact CG2-SD 3.85Å; S431-M434 PolarHBondContact O-N 2.74Å; S431-M434 VanDerWaalsContact O-N 3.13Å
435T71.9Confident82.7Confident97 Ų9739 Ų3960%0.59524%0.238SC*.  trans-88.5146.6170.354.90000110.4
436N68.2Low82.6Confident21 Ų2139 Ų3911%0.11224%0.238CC..  trans-70.2170.7173.777.80.8000111.6F379 F438 G439 I440F379-N436 HydrophobicContact CB-CB 4.24Å; F379-N436 HydrophobicContact CD1-CB 3.84Å; F379-N436 HydrophobicContact CD2-CB 3.93Å; F379-N436 VanDerWaalsContact CD2-ND2 3.35Å; F379-N436 WeakPolarHBondContact CD2-ND2 3.22Å; F379-N436 HydrophobicContact CE1-CB 4.16Å; F379-N436 HydrophobicContact CE2-CB 4.24Å; F379-N436 HydrophobicContact CG-CB 3.72Å; F379-N436 HydrophobicContact CZ-CB 4.34Å; N436-F438 PolarHBondContact O-N 2.98Å; N436-F438 WeakPolarHBondContact OD1-CA 3.39Å; N436-F438 PolarHBondContact OD1-N 3.31Å; N436-G439 PolarHBondContact O-N 3.2Å; N436-G439 PolarHBondContact OD1-N 2.91Å; N436-G439 VanDerWaalsContact OD1-N 3.14Å; N436-I440 PolarHBondContact OD1-N 3.02Å
437G55Low82.6Confident85 Ų8540.1 Ų40.188%0.87624%0.243SC*.THydrogen-bonded Turntrans-63-3.9179.900000115.6
438F56.7Low82.7Confident130 Ų13040 Ų4057%0.5724%0.242SC*.THydrogen-bonded Turntrans-110.53.8179.6-55.4-77.4000112.8N436 I440 P539N436-F438 PolarHBondContact O-N 2.98Å; N436-F438 WeakPolarHBondContact OD1-CA 3.39Å; N436-F438 PolarHBondContact OD1-N 3.31Å; F438-I440 VanDerWaalsContact C-N 3.31Å; F438-I440 HydrophobicContact CB-CG1 4.43Å; F438-I440 PolarHBondContact O-N 2.96Å; F438-P539 HydrophobicContact CE2-CB 4.01Å; F438-P539 HydrophobicContact CZ-CB 4.2Å
439G61.7Low82.9Confident57 Ų5743.1 Ų43.159%0.58826%0.256SS*.  trans75.513.8178.700000114.8N436N436-G439 PolarHBondContact O-N 3.2Å; N436-G439 PolarHBondContact OD1-N 2.91Å; N436-G439 VanDerWaalsContact OD1-N 3.14Å
440I70.3Confident83Confident26 Ų2645.1 Ų45.113%0.13327%0.27CS..PPolyproline II helixtrans-77.3129.6175-56.2178.4000108.5F379 N436 F438 N538F379-I440 HydrophobicContact CB-CB 4.27Å; F379-I440 HydrophobicContact CB-CG2 4.07Å; N436-I440 PolarHBondContact OD1-N 3.02Å; F438-I440 VanDerWaalsContact C-N 3.31Å; F438-I440 HydrophobicContact CB-CG1 4.43Å; F438-I440 PolarHBondContact O-N 2.96Å; I440-N538 WeakPolarHBondContact CD1-ND2 3.27Å
441P79.7Confident83.3Confident64 Ų6445.7 Ų45.742%0.41628%0.276SS..PPolyproline II helixtrans-66.8151.3179.627.7-34.2000111.7Y378 F379Y378-P441 WeakPolarHBondContact CA-O 2.8Å; Y378-P441 HydrophobicContact CD1-CG 4.25Å; F379-P441 PolarHBondContact N-O 3.45Å
442P86.6Confident83.8Confident10 Ų1045.4 Ų45.47%0.06527%0.274CS..BIsolated β-bridgetrans-68151.7176.533.6-39.3000110.8S431 P444 F447S431-P442 WeakPolarHBondContact O-CB 3.3Å; S431-P442 WeakPolarHBondContact O-CG 3.34Å; P442-P444 VanDerWaalsContact O-CD 3.22Å; P442-P444 WeakPolarHBondContact O-CD 3.04Å; P442-F447 HydrophobicContact CB-CE1 3.94Å; P442-F447 HydrophobicContact CG-CE1 3.8Å; P442-F447 HydrophobicContact CG-CZ 4.09Å
443S90.5Very high84.3Confident0 Ų043.9 Ų43.90%026%0.264CS..PPolyproline II helixtrans-72.1116.2-176.4-177.30000112.8S333 Y378 F379 S430 N445 N446 F447S333-S443 WeakPolarHBondContact O-CB 3.47Å; S333-S443 PolarHBondContact O-OG 3.31Å; Y378-S443 VanDerWaalsContact CB-CA 3.45Å; F379-S443 PolarHBondContact O-N 2.9Å; F379-S443 VanDerWaalsContact O-N 3.13Å; S430-S443 VanDerWaalsContact CB-O 3.23Å; S430-S443 WeakPolarHBondContact CB-O 3.42Å; S430-S443 PolarHBondContact OG-N 3.11Å; S443-N445 PolarHBondContact O-N 2.94Å; S443-N446 CarbonylContact O-C 3.55Å; S443-N446 PolarHBondContact O-N 3.48Å; S443-F447 WeakPolarHBondContact O-CD1 3.07Å; S443-F447 WeakPolarHBondContact O-CE1 3.5Å; S443-F447 PolarHBondContact O-N 2.65Å
444P92.6Very high84.9Confident50 Ų5037.1 Ų37.133%0.32524%0.238SC..G310 helixtrans-62.7-32.2176.2-22.234.7000112.7Y378 P442 N446 F447Y378-P444 VanDerWaalsContact CD1-CD 3.41Å; Y378-P444 HydrophobicContact CD1-CG 4.35Å; Y378-P444 HydrophobicContact CE1-CG 3.85Å; P442-P444 VanDerWaalsContact O-CD 3.22Å; P442-P444 WeakPolarHBondContact O-CD 3.04Å; P444-N446 PolarHBondContact O-N 3.36Å; P444-N446 VanDerWaalsContact O-N 3.16Å; P444-F447 HydrophobicContact CB-CD2 4.15Å; P444-F447 HydrophobicContact CB-CE2 3.91Å; P444-F447 HydrophobicContact CB-CZ 4.25Å; P444-F447 HydrophobicContact CG-CE2 4.26Å; P444-F447 HydrophobicContact CG-CZ 4.21Å; P444-F447 WeakPolarHBondContact O-CB 3.44Å; P444-F447 PolarHBondContact O-N 2.89Å; P444-F447 VanDerWaalsContact O-N 3.12Å
445N94.8Very high85.7Confident39 Ų3935.2 Ų35.221%0.20923%0.228CC..G310 helixtrans-61.2-25175.6-74.66.2000111.6R334 L341 S443 K452R334-N445 PolarHBondContact O-ND2 3.11Å; L341-N445 HydrophobicContact CD1-CB 3.61Å; L341-N445 WeakPolarHBondContact CD1-O 3.38Å; S443-N445 PolarHBondContact O-N 2.94Å; N445-K452 WeakPolarHBondContact O-CE 3.46Å; N445-K452 PolarHBondContact O-NZ 2.93Å
446N96.1Very high86.8Confident0 Ų030.6 Ų30.60%020%0.2CC..G310 helixtrans-111.421.7179.1-163.945000112.8D428 F429 S430 S443 P444 L455D428-N446 PolarHBondContact O-ND2 3.23Å; F429-N446 WeakPolarHBondContact CD1-O 3.3Å; S430-N446 WeakPolarHBondContact CB-O 3.49Å; S430-N446 PolarHBondContact N-ND2 2.79Å; S430-N446 PolarHBondContact N-O 3.3Å; S443-N446 CarbonylContact O-C 3.55Å; S443-N446 PolarHBondContact O-N 3.48Å; P444-N446 PolarHBondContact O-N 3.36Å; P444-N446 VanDerWaalsContact O-N 3.16Å; N446-L455 WeakPolarHBondContact OD1-CB 3.39Å; N446-L455 PolarHBondContact OD1-N 3.21Å
447F96.6Very high88Confident26 Ų2629.6 Ų29.611%0.11420%0.195CC..BIsolated β-bridgetrans-68150.7169.9-74.4-8.9000112.5E119 S430 P432 P442 S443 P444 Q449 K452E119-F447 HydrophobicContact CG-CB 4.06Å; E119-F447 HydrophobicContact CG-CD2 4.14Å; E119-F447 HydrophobicContact CG-CG 4.25Å; S430-F447 WeakPolarHBondContact O-CA 3.31Å; S430-F447 WeakPolarHBondContact O-CD1 3.15Å; P432-F447 HydrophobicContact CB-CE1 4.45Å; P432-F447 HydrophobicContact CB-CE2 4.22Å; P432-F447 HydrophobicContact CB-CZ 4.02Å; P442-F447 HydrophobicContact CB-CE1 3.94Å; P442-F447 HydrophobicContact CG-CE1 3.8Å; P442-F447 HydrophobicContact CG-CZ 4.09Å; S443-F447 WeakPolarHBondContact O-CD1 3.07Å; S443-F447 WeakPolarHBondContact O-CE1 3.5Å; S443-F447 PolarHBondContact O-N 2.65Å; P444-F447 HydrophobicContact CB-CD2 4.15Å; P444-F447 HydrophobicContact CB-CE2 3.91Å; P444-F447 HydrophobicContact CB-CZ 4.25Å; P444-F447 HydrophobicContact CG-CE2 4.26Å; P444-F447 HydrophobicContact CG-CZ 4.21Å; P444-F447 WeakPolarHBondContact O-CB 3.44Å; P444-F447 PolarHBondContact O-N 2.89Å; P444-F447 VanDerWaalsContact O-N 3.12Å; F447-Q449 PolarHBondContact O-N 3.2Å; F447-K452 WeakPolarHBondContact O-CD 3.34Å; F447-K452 PolarHBondContact O-NZ 2.92Å
448I97.3Very high89.9Confident1 Ų125.6 Ų25.61%0.00515%0.153CC..  trans-64.6128.2179.2-56.2167.3000109.2A113 A117 E119 M121 F122 M426 F429A113-I448 HydrophobicContact CB-CG2 4.34Å; A117-I448 HydrophobicContact CB-CG2 3.83Å; E119-I448 WeakPolarHBondContact CA-O 3.38Å; M121-I448 HydrophobicContact CG-CD1 3.88Å; M121-I448 HydrophobicContact SD-CD1 4.05Å; M121-I448 HydrophobicContact SD-CG2 4.16Å; F122-I448 HydrophobicContact CD2-CD1 3.63Å; F122-I448 HydrophobicContact CE2-CD1 3.47Å; F122-I448 VanDerWaalsContact CE2-CD1 3.47Å; M426-I448 HydrophobicContact CE-CD1 4.34Å; M426-I448 HydrophobicContact CE-CG1 4.45Å; M426-I448 HydrophobicContact CE-CG2 3.72Å; F429-I448 HydrophobicContact CB-CD1 4.25Å; F429-I448 HydrophobicContact CB-CG1 3.36Å; F429-I448 HydrophobicContact CD1-CG1 4.28Å; F429-I448 HydrophobicContact CD2-CG1 3.87Å; F429-I448 HydrophobicContact CG-CB 4.36Å; F429-I448 HydrophobicContact CG-CG1 3.6Å
449Q97.3Very high91.8Very high68 Ų6819.4 Ų19.432%0.31813%0.126SC..  trans-139.5143.1168.4-62.4-178.113.900108.8A113 Y340 F447 G451 K452A113-Q449 WeakPolarHBondContact CB-O 3.27Å; Y340-Q449 HydrophobicContact CE1-CB 4.41Å; F447-Q449 PolarHBondContact O-N 3.2Å; Q449-G451 PolarHBondContact O-N 3.06Å; Q449-K452 HydrophobicContact CB-CB 4.08Å; Q449-K452 HydrophobicContact CB-CD 3.98Å; Q449-K452 HydrophobicContact CG-CD 4.23Å; Q449-K452 WeakPolarHBondContact O-CB 3.44Å; Q449-K452 PolarHBondContact O-N 3.16Å; Q449-K452 VanDerWaalsContact O-N 3.08Å
450P98.1Very high93.5Very high50 Ų5016.7 Ų16.733%0.32510%0.098SC..THydrogen-bonded Turntrans-45126173-34.138.8000113.4M115 A117 Y340 K452M115-P450 HydrophobicContact CE-CB 3.8Å; M115-P450 WeakPolarHBondContact O-CG 3.27Å; M115-P450 HydrophobicContact SD-CB 3.96Å; A117-P450 WeakPolarHBondContact O-CG 3.4Å; Y340-P450 PolarHBondContact OH-O 2.84Å; P450-K452 PolarHBondContact O-N 3.27Å
451G97.8Very high94.8Very high13 Ų1315.5 Ų15.513%0.1349%0.092CC..THydrogen-bonded Turntrans77.3-5.8177.800000116.2T112 A113 R339 Y340 Q449T112-G451 WeakPolarHBondContact CG2-O 2.88Å; A113-G451 WeakPolarHBondContact O-CA 3.39Å; A113-G451 PolarHBondContact O-N 2.96Å; R339-G451 PolarHBondContact NH2-O 2.98Å; Y340-G451 WeakPolarHBondContact OH-CA 3.4Å; Q449-G451 PolarHBondContact O-N 3.06Å
452K98.3Very high95.7Very high0 Ų012.4 Ų12.40%07%0.072CC..PPolyproline II helixtrans-73.4154.3179.6-168.7174.9173.2-174.90111.4T112 A113 D337 Y340 F429 N445 F447 Q449 P450T112-K452 CarbonylContact C-O 3.58Å; T112-K452 WeakPolarHBondContact CA-O 3.4Å; A113-K452 PolarHBondContact N-O 3.27Å; D337-K452 HydrophobicContact CB-CD 4.45Å; D337-K452 HydrophobicContact CB-CG 3.69Å; Y340-K452 HydrophobicContact CD2-CB 4.05Å; Y340-K452 HydrophobicContact CD2-CD 4.42Å; Y340-K452 HydrophobicContact CD2-CG 3.8Å; Y340-K452 HydrophobicContact CE1-CB 4.38Å; Y340-K452 HydrophobicContact CE2-CB 3.87Å; Y340-K452 HydrophobicContact CE2-CG 4.13Å; Y340-K452 HydrophobicContact CG-CB 4.42Å; Y340-K452 HydrophobicContact CG-CD 4.22Å; Y340-K452 HydrophobicContact CG-CG 4.1Å; Y340-K452 PolarHBondContact OH-N 2.77Å; F429-K452 HydrophobicContact CE1-CB 4.22Å; F429-K452 HydrophobicContact CE1-CD 4.07Å; F429-K452 HydrophobicContact CE1-CG 4Å; F429-K452 HydrophobicContact CZ-CB 4.21Å; F429-K452 HydrophobicContact CZ-CG 4.4Å; F429-K452 WeakPolarHBondContact CZ-O 3.39Å; N445-K452 WeakPolarHBondContact O-CE 3.46Å; N445-K452 PolarHBondContact O-NZ 2.93Å; F447-K452 WeakPolarHBondContact O-CD 3.34Å; F447-K452 PolarHBondContact O-NZ 2.92Å; Q449-K452 HydrophobicContact CB-CB 4.08Å; Q449-K452 HydrophobicContact CB-CD 3.98Å; Q449-K452 HydrophobicContact CG-CD 4.23Å; Q449-K452 WeakPolarHBondContact O-CB 3.44Å; Q449-K452 PolarHBondContact O-N 3.16Å; Q449-K452 VanDerWaalsContact O-N 3.08Å; P450-K452 PolarHBondContact O-N 3.27Å
453R98.1Very high96.1Very high1 Ų112.2 Ų12.20%0.0047%0.07CC..PPolyproline II helixtrans-98.9138.6170.8-74.7169.6179.7131.614.4111.5D108 R110 E111 T112 Q262 P285 D337D108-R453 IonicContact OD1-NE 3.9Å; D108-R453 WeakPolarHBondContact OD2-CD 3.41Å; D108-R453 IonicContact OD2-CZ 3.73Å; D108-R453 IonicContact OD2-NE 2.73Å; D108-R453 PolarHBondContact OD2-NE 3.49Å; D108-R453 IonicContact OD2-NH1 3.71Å; D108-R453 PolarHBondContact OD2-NH1 3.04Å; R110-R453 HydrophobicContact CB-CG 4.2Å; R110-R453 HydrophobicContact CG-CB 4.26Å; R110-R453 HydrophobicContact CG-CG 4.3Å; R110-R453 PolarHBondContact O-NE 3.35Å; E111-R453 WeakPolarHBondContact O-CG 3.46Å; T112-R453 HydrophobicContact CG2-CG 3.7Å; Q262-R453 PolarHBondContact O-NH2 3.27Å; P285-R453 HydrophobicContact CG-CB 3.82Å; D337-R453 PolarHBondContact OD2-N 3.14Å
454P96.9Very high96.3Very high0 Ų012.7 Ų12.70%07%0.072CC..PPolyproline II helixtrans-75.4148.3174.530.6-32000111.3E111 E425 D428 F429E111-P454 VanDerWaalsContact O-CD 3.28Å; E111-P454 WeakPolarHBondContact O-CD 3.45Å; E425-P454 HydrophobicContact CG-CG 3.83Å; D428-P454 HydrophobicContact CB-CB 3.63Å; D428-P454 HydrophobicContact CB-CG 4.16Å; F429-P454 HydrophobicContact CD1-CB 4Å; F429-P454 HydrophobicContact CD2-CB 3.83Å; F429-P454 HydrophobicContact CD2-CG 4.41Å; F429-P454 HydrophobicContact CE1-CB 3.97Å; F429-P454 HydrophobicContact CE2-CB 3.79Å; F429-P454 HydrophobicContact CE2-CG 4.03Å; F429-P454 HydrophobicContact CG-CB 3.93Å; F429-P454 HydrophobicContact CZ-CB 3.87Å; F429-P454 HydrophobicContact CZ-CG 4.25Å
455L95.2Very high96.1Very high1 Ų111 Ų111%0.0056%0.06CC..PPolyproline II helixtrans-59.2134.5175.1-176.964.7000111.1P285 R332 L335 V380 N446P285-L455 WeakPolarHBondContact O-CD1 3.32Å; R332-L455 HydrophobicContact CG-CD2 4.12Å; L335-L455 HydrophobicContact CB-CD1 3.64Å; L335-L455 HydrophobicContact CB-CD2 4.3Å; V380-L455 HydrophobicContact CG1-CD2 3.8Å; V380-L455 HydrophobicContact CG2-CD2 4.07Å; N446-L455 WeakPolarHBondContact OD1-CB 3.39Å; N446-L455 PolarHBondContact OD1-N 3.21Å
456S94.9Very high95.8Very high0 Ų015.9 Ų15.90%08%0.08CC..  trans-118.5153.4-176.8-170.50000112.3R110 P285 S287 M458R110-S456 PolarHBondContact NH2-OG 3.38Å; P285-S456 PolarHBondContact O-N 3.45Å; S287-S456 WeakPolarHBondContact CB-O 3.21Å; S287-S456 PolarHBondContact N-O 3.17Å; S287-S456 PolarHBondContact OG-O 2.79Å; S287-S456 VanDerWaalsContact OG-O 3.08Å; S456-M458 VanDerWaalsContact OG-CE 3.3Å; S456-M458 WeakPolarHBondContact OG-CE 3.22Å; S456-M458 WeakPolarHBondContact OG-CG 3.34Å; S456-M458 PolarHBondContact OG-N 3.41Å
457S93.3Very high95.4Very high0 Ų020.8 Ų20.80%011%0.106CC..  trans-91.1-3.2168.8-70.90000114.1R332 N383 G479 I482 T483R332-S457 PolarHBondContact NH2-OG 2.69Å; N383-S457 PolarHBondContact ND2-N 3.41Å; S457-G479 WeakPolarHBondContact CB-O 3.4Å; S457-I482 WeakPolarHBondContact O-CB 3.39Å; S457-I482 VanDerWaalsContact O-CG2 3.3Å; S457-I482 WeakPolarHBondContact O-CG2 3.13Å; S457-T483 PolarHBondContact O-OG1 3.21Å
458M95.9Very high95.2Very high2 Ų224.8 Ų24.81%0.0113%0.129CC..  trans-67136.7177.9-64.5-171.6-8400111.1Y93 S286 S287 T386 T402 T404 S456 I482Y93-M458 HydrophobicContact CD2-CB 3.86Å; Y93-M458 HydrophobicContact CD2-CE 3.57Å; Y93-M458 HydrophobicContact CD2-SD 4.14Å; Y93-M458 HydrophobicContact CE2-CB 4.32Å; Y93-M458 HydrophobicContact CE2-CE 3.65Å; S286-M458 WeakPolarHBondContact CB-O 3.08Å; S286-M458 PolarHBondContact OG-O 3.42Å; S287-M458 PolarHBondContact N-O 2.84Å; T386-M458 HydrophobicContact CG2-CG 4.26Å; T386-M458 HydrophobicContact CG2-SD 4.18Å; T402-M458 HydrophobicContact CG2-CB 4.01Å; T402-M458 HydrophobicContact CG2-CG 3.54Å; T402-M458 HydrophobicContact CG2-SD 3.52Å; T402-M458 VanDerWaalsContact CG2-SD 3.52Å; T404-M458 HydrophobicContact CG2-CE 3.51Å; T404-M458 HydrophobicContact CG2-SD 3.92Å; S456-M458 VanDerWaalsContact OG-CE 3.3Å; S456-M458 WeakPolarHBondContact OG-CE 3.22Å; S456-M458 WeakPolarHBondContact OG-CG 3.34Å; S456-M458 PolarHBondContact OG-N 3.41Å; M458-I482 HydrophobicContact CG-CD1 4.16Å
459C95.7Very high94.9Very high0 Ų029.4 Ų29.40%015%0.146CC..  trans-149.562.9176.358.50000111.4L291 T461L291-C459 HydrophobicContact CB-CB 4.39Å; L291-C459 HydrophobicContact CD2-CB 4.11Å; C459-T461 PolarHBondContact O-N 2.84Å; C459-T461 PolarHBondContact O-OG1 2.63Å
460P97.9Very high94.8Very high0 Ų026.4 Ų26.40%013%0.132CC..  trans-57.3137.7175.328.8-36.5000110.1I95 P282 A400I95-P460 HydrophobicContact CG2-CB 3.98Å; I95-P460 HydrophobicContact CG2-CG 4.29Å; P282-P460 WeakPolarHBondContact CD-O 3.33Å; P282-P460 HydrophobicContact CG-CG 3.82Å; A400-P460 HydrophobicContact CB-CB 3.79Å
461T97.6Very high94.5Very high0 Ų024.1 Ų24.10%012%0.117CC..EExtended strand (participates in β ladder)trans-134136.8-164.1-60.30000111.8I279 V281 L291 C459 I463 V474I279-T461 HydrophobicContact CG2-CG2 3.52Å; V281-T461 HydrophobicContact CG1-CG2 3.99Å; L291-T461 VanDerWaalsContact CD2-OG1 3.31Å; L291-T461 WeakPolarHBondContact CD2-OG1 3.34Å; C459-T461 PolarHBondContact O-N 2.84Å; C459-T461 PolarHBondContact O-OG1 2.63Å; T461-I463 HydrophobicContact CG2-CD1 4.4Å; T461-I463 HydrophobicContact CG2-CG1 3.92Å; T461-V474 HydrophobicContact CG2-CG1 4.17Å; T461-V474 PolarHBondContact N-O 3.34Å; T461-V474 PolarHBondContact O-N 3.2Å
462I97.9Very high94.3Very high0 Ų023.6 Ų23.60%011%0.111CC..EExtended strand (participates in β ladder)trans-119.1133.8168.4-58.2-178.9000108.8I95 H280 A398 A400 F464 V470 V473I95-I462 HydrophobicContact CD1-CG1 4.49Å; I95-I462 HydrophobicContact CG1-CD1 3.99Å; I95-I462 HydrophobicContact CG1-CG1 4.19Å; I95-I462 HydrophobicContact CG2-CD1 4.16Å; I95-I462 HydrophobicContact CG2-CG1 3.89Å; H280-I462 PolarHBondContact N-O 2.91Å; H280-I462 PolarHBondContact O-N 2.99Å; A398-I462 HydrophobicContact CB-CD1 4.15Å; A400-I462 HydrophobicContact CB-CG1 4.4Å; I462-F464 HydrophobicContact CB-CE2 4.19Å; I462-F464 HydrophobicContact CG2-CD2 4.19Å; I462-F464 HydrophobicContact CG2-CE1 4.42Å; I462-F464 HydrophobicContact CG2-CE2 3.47Å; I462-F464 VanDerWaalsContact CG2-CE2 3.47Å; I462-F464 HydrophobicContact CG2-CZ 3.61Å; I462-V470 HydrophobicContact CG2-CG1 4.11Å; I462-V470 HydrophobicContact CG2-CG2 4.39Å; I462-V473 HydrophobicContact CG1-CG1 4.49Å
463I95.4Very high94.2Very high6 Ų623.6 Ų23.63%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-121.1134-177.6-49.3-177.9000108.9Y277 T278 I279 T461 K471 M472 V474 S490Y277-I463 HydrophobicContact CD1-CG2 4.11Å; Y277-I463 HydrophobicContact CG-CG2 4.19Å; T278-I463 CarbonylContact O-C 3.27Å; T278-I463 WeakPolarHBondContact O-CA 3.36Å; I279-I463 HydrophobicContact CG1-CD1 4.48Å; I279-I463 HydrophobicContact CG1-CG1 4.12Å; I279-I463 HydrophobicContact CG1-CG2 4.03Å; I279-I463 HydrophobicContact CG2-CG1 4.35Å; T461-I463 HydrophobicContact CG2-CD1 4.4Å; T461-I463 HydrophobicContact CG2-CG1 3.92Å; I463-K471 WeakPolarHBondContact O-CA 3.27Å; I463-K471 WeakPolarHBondContact O-CB 3.44Å; I463-K471 PolarHBondContact O-N 2.81Å; I463-M472 HydrophobicContact CB-CB 4.13Å; I463-M472 HydrophobicContact CD1-CB 4.24Å; I463-M472 HydrophobicContact CD1-CG 4.46Å; I463-M472 HydrophobicContact CD1-SD 4.35Å; I463-M472 HydrophobicContact CG1-CB 4.4Å; I463-M472 PolarHBondContact N-O 2.81Å; I463-M472 PolarHBondContact O-N 3.48Å; I463-M472 VanDerWaalsContact O-N 3.09Å; I463-V474 HydrophobicContact CD1-CG1 4.38Å; I463-S490 WeakPolarHBondContact CD1-O 3.43Å
464F94.6Very high94.1Very high10 Ų1023.5 Ų23.54%0.04411%0.111CC..EExtended strand (participates in β ladder)trans-113.1143179.5-61.3-96.3000110.5Y97 V104 Y277 T278 H280 I462 R469 V470Y97-F464 AromaticContact CD1-CE1 3.93Å; Y97-F464 HydrophobicContact CD1-CE1 3.93Å; Y97-F464 HydrophobicContact CD1-CZ 4.21Å; Y97-F464 AromaticContact CD2-CE1 3.66Å; Y97-F464 HydrophobicContact CD2-CE1 3.66Å; Y97-F464 AromaticContact CD2-CZ 3.54Å; Y97-F464 HydrophobicContact CD2-CZ 3.54Å; Y97-F464 AromaticContact CE1-CE1 3.91Å; Y97-F464 HydrophobicContact CE1-CE1 3.91Å; Y97-F464 AromaticContact CE2-CE1 3.63Å; Y97-F464 HydrophobicContact CE2-CE1 3.63Å; Y97-F464 AromaticContact CE2-CZ 3.97Å; Y97-F464 HydrophobicContact CE2-CZ 3.97Å; Y97-F464 AromaticContact CG-CE1 3.78Å; Y97-F464 HydrophobicContact CG-CE1 3.78Å; Y97-F464 AromaticContact CG-CZ 3.64Å; Y97-F464 HydrophobicContact CG-CZ 3.64Å; Y97-F464 AromaticContact CZ-CE1 3.76Å; V104-F464 HydrophobicContact CG2-CE2 3.91Å; V104-F464 HydrophobicContact CG2-CZ 3.69Å; Y277-F464 WeakPolarHBondContact CA-O 2.82Å; Y277-F464 WeakPolarHBondContact CD1-O 3.19Å; T278-F464 PolarHBondContact N-O 3.44Å; T278-F464 PolarHBondContact O-N 3.08Å; H280-F464 AromaticContact CD2-CD2 3.79Å; H280-F464 AromaticContact CD2-CE2 3.56Å; I462-F464 HydrophobicContact CB-CE2 4.19Å; I462-F464 HydrophobicContact CG2-CD2 4.19Å; I462-F464 HydrophobicContact CG2-CE1 4.42Å; I462-F464 HydrophobicContact CG2-CE2 3.47Å; I462-F464 VanDerWaalsContact CG2-CE2 3.47Å; I462-F464 HydrophobicContact CG2-CZ 3.61Å; F464-R469 VanDerWaalsContact CA-O 3.26Å; F464-R469 WeakPolarHBondContact CA-O 3.48Å; F464-V470 HydrophobicContact CD1-CG2 4.21Å; F464-V470 HydrophobicContact CE1-CG2 3.67Å; F464-V470 HydrophobicContact CZ-CG2 4.26Å
465D88.7Confident94Very high13 Ų1323.5 Ų23.57%0.0711%0.111CC..  trans-76.2173.7168.26717.9000111.2D467 N468 R469 K471D465-D467 PolarHBondContact O-N 2.93Å; D465-D467 VanDerWaalsContact O-N 3.09Å; D465-D467 WeakPolarHBondContact OD1-CA 3.29Å; D465-D467 WeakPolarHBondContact OD1-CB 3.12Å; D465-D467 PolarHBondContact OD1-N 3.38Å; D465-N468 PolarHBondContact O-N 3.15Å; D465-N468 PolarHBondContact OD1-N 3.21Å; D465-R469 PolarHBondContact N-O 3.31Å; D465-R469 PolarHBondContact OD1-N 3.13Å; D465-R469 IonicContact OD2-CZ 3.41Å; D465-R469 IonicContact OD2-NE 2.72Å; D465-R469 PolarHBondContact OD2-NE 3.31Å; D465-R469 IonicContact OD2-NH2 3.38Å; D465-R469 PolarHBondContact OD2-NH2 2.85Å; D465-K471 HydrophobicContact CB-CB 4.21Å
466K87.3Confident93.9Very high143 Ų14323.5 Ų23.562%0.62211%0.111SC*.THydrogen-bonded Turntrans-58.3-18.7176.667.8-177.1178.6-170.70114.7N468K466-N468 VanDerWaalsContact C-N 3.29Å
467D89.1Confident93.6Very high102 Ų10223.5 Ų23.555%0.54511%0.111SC..THydrogen-bonded Turntrans-93.811.4178.4-56.4-45.8000111.3D465 R469D465-D467 PolarHBondContact O-N 2.93Å; D465-D467 VanDerWaalsContact O-N 3.09Å; D465-D467 WeakPolarHBondContact OD1-CA 3.29Å; D465-D467 WeakPolarHBondContact OD1-CB 3.12Å; D465-D467 PolarHBondContact OD1-N 3.38Å; D467-R469 HydrophobicContact CB-CG 4.44Å; D467-R469 PolarHBondContact O-N 2.7Å
468N91.2Very high93.1Very high110 Ų11024 Ų2459%0.58812%0.117SC*.SBendtrans58.226.3-176.3-61.5-56.4000114.1D465 K466D465-N468 PolarHBondContact O-N 3.15Å; D465-N468 PolarHBondContact OD1-N 3.21Å; K466-N468 VanDerWaalsContact C-N 3.29Å
469R92Very high92.5Very high99 Ų9924 Ų2437%0.37412%0.116SC..  trans-92144171.5-57.5-175-59.5175.3-3.9109.4F464 D465 D467 K471 E581F464-R469 VanDerWaalsContact CA-O 3.26Å; F464-R469 WeakPolarHBondContact CA-O 3.48Å; D465-R469 PolarHBondContact N-O 3.31Å; D465-R469 PolarHBondContact OD1-N 3.13Å; D465-R469 IonicContact OD2-CZ 3.41Å; D465-R469 IonicContact OD2-NE 2.72Å; D465-R469 PolarHBondContact OD2-NE 3.31Å; D465-R469 IonicContact OD2-NH2 3.38Å; D465-R469 PolarHBondContact OD2-NH2 2.85Å; D467-R469 HydrophobicContact CB-CG 4.44Å; D467-R469 PolarHBondContact O-N 2.7Å; R469-K471 PolarHBondContact O-N 2.9Å; R469-E581 IonicContact NH1-OE1 3.11Å
470V95.3Very high92Very high4 Ų424 Ų242%0.02412%0.117CC..EExtended strand (participates in β ladder)trans-59110.6171.9-179.30000108.5Y97 I392 A398 I462 F464 V473 R578Y97-V470 HydrophobicContact CD1-CG2 3.27Å; Y97-V470 HydrophobicContact CE1-CG2 3.56Å; Y97-V470 HydrophobicContact CG-CG2 4.12Å; I392-V470 HydrophobicContact CD1-CB 4.5Å; I392-V470 HydrophobicContact CD1-CG1 3.68Å; I392-V470 HydrophobicContact CG1-CG1 4.14Å; A398-V470 HydrophobicContact CB-CB 4.44Å; A398-V470 HydrophobicContact CB-CG1 3.91Å; A398-V470 HydrophobicContact CB-CG2 3.89Å; I462-V470 HydrophobicContact CG2-CG1 4.11Å; I462-V470 HydrophobicContact CG2-CG2 4.39Å; F464-V470 HydrophobicContact CD1-CG2 4.21Å; F464-V470 HydrophobicContact CE1-CG2 3.67Å; F464-V470 HydrophobicContact CZ-CG2 4.26Å; V470-V473 HydrophobicContact CG1-CG2 3.66Å; V470-R578 WeakPolarHBondContact O-CB 3.44Å; V470-R578 PolarHBondContact O-NE 2.97Å; V470-R578 VanDerWaalsContact O-NE 3.13Å
471K91.7Very high91.5Very high3 Ų325.3 Ų25.31%0.01312%0.122CC..EExtended strand (participates in β ladder)trans-86.9-42.9178.3175.859.3-173.8165.40110.7Y277 I463 D465 R469 T492 P494 V577 R578Y277-K471 HydrophobicContact CD1-CG 4.18Å; Y277-K471 HydrophobicContact CE1-CD 4.44Å; Y277-K471 HydrophobicContact CE1-CG 3.84Å; I463-K471 WeakPolarHBondContact O-CA 3.27Å; I463-K471 WeakPolarHBondContact O-CB 3.44Å; I463-K471 PolarHBondContact O-N 2.81Å; D465-K471 HydrophobicContact CB-CB 4.21Å; R469-K471 PolarHBondContact O-N 2.9Å; K471-T492 WeakPolarHBondContact CE-O 3.26Å; K471-T492 WeakPolarHBondContact CE-OG1 3.34Å; K471-P494 HydrophobicContact CD-CG 4.44Å; K471-P494 VanDerWaalsContact NZ-CG 3.25Å; K471-V577 CarbonylContact O-C 3.06Å; K471-V577 WeakPolarHBondContact O-CA 3.33Å; K471-R578 PolarHBondContact NZ-O 3.32Å; K471-R578 PolarHBondContact O-N 3.27Å
472M93.1Very high91.1Very high1 Ų125.3 Ų25.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-152.3143.7-177.9-178.2168.1-174.300111.6I463 V474 V489 T491 T492 L524 A575 V576 V577I463-M472 HydrophobicContact CB-CB 4.13Å; I463-M472 HydrophobicContact CD1-CB 4.24Å; I463-M472 HydrophobicContact CD1-CG 4.46Å; I463-M472 HydrophobicContact CD1-SD 4.35Å; I463-M472 HydrophobicContact CG1-CB 4.4Å; I463-M472 PolarHBondContact N-O 2.81Å; I463-M472 PolarHBondContact O-N 3.48Å; I463-M472 VanDerWaalsContact O-N 3.09Å; M472-V474 HydrophobicContact CE-CB 3.6Å; M472-V474 HydrophobicContact CE-CG1 4.13Å; M472-V474 HydrophobicContact CE-CG2 3.64Å; M472-V474 HydrophobicContact CG-CB 4.1Å; M472-V474 HydrophobicContact CG-CG1 4.22Å; M472-V474 HydrophobicContact SD-CB 4.44Å; M472-V474 HydrophobicContact SD-CG1 4.47Å; M472-V489 HydrophobicContact CE-CG1 3.98Å; M472-V489 WeakPolarHBondContact CE-O 3.2Å; M472-T491 PolarHBondContact SD-N 3.48Å; M472-T492 HydrophobicContact SD-CG2 3.98Å; M472-L524 HydrophobicContact CE-CD1 4.26Å; M472-A575 HydrophobicContact CE-CB 3.72Å; M472-V576 CarbonylContact C-O 3.54Å; M472-V576 VanDerWaalsContact CA-O 3.27Å; M472-V576 WeakPolarHBondContact CA-O 3.49Å; M472-V577 HydrophobicContact CB-CG2 4.15Å; M472-V577 HydrophobicContact CE-CG2 4.15Å; M472-V577 HydrophobicContact CG-CG2 3.73Å; M472-V577 HydrophobicContact SD-CG2 3.87Å
473V97.2Very high90.7Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-121.8126.4168.8-176.10000105.9S390 I392 A398 V399 A400 I462 V470 A575 V576S390-V473 PolarHBondContact OG-O 3.44Å; I392-V473 HydrophobicContact CD1-CG2 3.89Å; I392-V473 HydrophobicContact CG1-CB 4.36Å; I392-V473 HydrophobicContact CG1-CG2 3.49Å; I392-V473 VanDerWaalsContact CG1-CG2 3.49Å; A398-V473 HydrophobicContact CB-CG2 3.63Å; V399-V473 VanDerWaalsContact O-CG1 3.31Å; V399-V473 WeakPolarHBondContact O-CG1 3.29Å; A400-V473 HydrophobicContact CB-CG1 3.54Å; I462-V473 HydrophobicContact CG1-CG1 4.49Å; V470-V473 HydrophobicContact CG1-CG2 3.66Å; V473-A575 CarbonylContact O-C 3.57Å; V473-A575 VanDerWaalsContact O-CA 3.3Å; V473-A575 WeakPolarHBondContact O-CA 3.18Å; V473-V576 PolarHBondContact N-O 2.79Å; V473-V576 PolarHBondContact O-N 3.46Å
474V95.1Very high90.4Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-154.1152.3-16961.20000112.1S390 T461 I463 M472 V489 S490 V573 Q574 A575S390-V474 WeakPolarHBondContact OG-CA 3.47Å; S390-V474 PolarHBondContact OG-N 3.45Å; T461-V474 HydrophobicContact CG2-CG1 4.17Å; T461-V474 PolarHBondContact N-O 3.34Å; T461-V474 PolarHBondContact O-N 3.2Å; I463-V474 HydrophobicContact CD1-CG1 4.38Å; M472-V474 HydrophobicContact CE-CB 3.6Å; M472-V474 HydrophobicContact CE-CG1 4.13Å; M472-V474 HydrophobicContact CE-CG2 3.64Å; M472-V474 HydrophobicContact CG-CB 4.1Å; M472-V474 HydrophobicContact CG-CG1 4.22Å; M472-V474 HydrophobicContact SD-CB 4.44Å; M472-V474 HydrophobicContact SD-CG1 4.47Å; V474-V489 HydrophobicContact CG2-CB 4.5Å; V474-V489 HydrophobicContact CG2-CG1 4.28Å; V474-S490 VanDerWaalsContact CG1-OG 3.22Å; V474-S490 WeakPolarHBondContact CG1-OG 3.25Å; V474-V573 HydrophobicContact CG2-CG1 3.9Å; V474-Q574 WeakPolarHBondContact CA-O 3.13Å; V474-A575 HydrophobicContact CG2-CB 4.3Å
475G94.5Very high90.2Very high0 Ų024.7 Ų24.70%012%0.12CC..EExtended strand (participates in β ladder)trans-178.9173.3166.200000110.1H388 V573 Q574H388-G475 VanDerWaalsContact CD2-CA 3.4Å; H388-G475 WeakPolarHBondContact CD2-CA 3.43Å; H388-G475 PolarHBondContact CD2-N 3.47Å; H388-G475 PolarHBondContact CD2-O 2.81Å; H388-G475 VanDerWaalsContact CE1-CA 3.48Å; H388-G475 WeakPolarHBondContact CE1-CA 3.35Å; H388-G475 VanDerWaalsContact CG-C 3.45Å; H388-G475 VanDerWaalsContact NE2-CA 3.28Å; H388-G475 WeakPolarHBondContact NE2-CA 3.46Å; H388-G475 PolarHBondContact NE2-N 2.93Å; G475-V573 WeakPolarHBondContact O-CA 3.12Å; G475-V573 WeakPolarHBondContact O-CG1 3.25Å; G475-Q574 PolarHBondContact N-O 3.06Å; G475-Q574 PolarHBondContact O-N 2.89Å; G475-Q574 VanDerWaalsContact O-N 3.07Å
476A92.6Very high90.1Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-125.9165.4-175.400000111.9I482 A485 T486 V572 V573A476-I482 HydrophobicContact CB-CB 4.48Å; A476-I482 HydrophobicContact CB-CG2 4.19Å; A476-I482 WeakPolarHBondContact O-CG2 3.32Å; A476-A485 HydrophobicContact CB-CB 3.76Å; A476-T486 WeakPolarHBondContact CB-OG1 3.36Å; A476-T486 PolarHBondContact N-OG1 3.28Å; A476-V572 CarbonylContact C-O 3.53Å; A476-V572 WeakPolarHBondContact CA-O 3.35Å; A476-V572 WeakPolarHBondContact CB-O 3.28Å; A476-V573 HydrophobicContact CB-CG2 3.92Å
477S88.8Confident90.1Very high0 Ų017.2 Ų17.20%09%0.087CC..EExtended strand (participates in β ladder)trans-124.6156.5163.4700000110.3D49 T386 S571 V572 K591D49-S477 PolarHBondContact OD2-OG 2.87Å; T386-S477 WeakPolarHBondContact O-CB 3.49Å; T386-S477 PolarHBondContact O-OG 3.48Å; S477-S571 CarbonylContact O-C 3.58Å; S477-S571 WeakPolarHBondContact O-CA 3.37Å; S477-S571 WeakPolarHBondContact O-CB 3.45Å; S477-V572 PolarHBondContact N-O 3.37Å; S477-V572 PolarHBondContact O-N 3.34Å; S477-V572 WeakPolarHBondContact OG-CG2 3.35Å; S477-K591 PolarHBondContact OG-NZ 3.03Å
478G83.1Confident89.7Confident12 Ų1212.5 Ų12.512%0.1246%0.061CC..SBendtrans130.631.7-176.500000114.8T480 K481 D570G478-T480 PolarHBondContact O-N 2.75Å; G478-K481 PolarHBondContact O-N 2.74Å; G478-D570 VanDerWaalsContact CA-O 3.22Å; G478-D570 WeakPolarHBondContact CA-O 3.33Å
479G84.7Confident88.8Confident0 Ų07.2 Ų7.20%03%0.033CC..G310 helixtrans65-132.5175.900000113.6N383 S457 K481 I482N383-G479 WeakPolarHBondContact O-CA 3.49Å; N383-G479 WeakPolarHBondContact OD1-CA 3.4Å; S457-G479 WeakPolarHBondContact CB-O 3.4Å; G479-K481 PolarHBondContact O-N 2.77Å; G479-I482 VanDerWaalsContact O-CB 3.31Å; G479-I482 WeakPolarHBondContact O-CB 3.37Å; G479-I482 VanDerWaalsContact O-CD1 3.24Å; G479-I482 WeakPolarHBondContact O-CD1 3.26Å; G479-I482 WeakPolarHBondContact O-CG1 3.14Å; G479-I482 PolarHBondContact O-N 3.04Å
480T83.5Confident87.2Confident2 Ų22.6 Ų2.61%0.0122%0.016CC..G310 helixtrans-59.8-17.2179.656.30000113.9Y329 E382 N383 G478 I482 H534 Q536Y329-T480 PolarHBondContact OH-O 3.39Å; E382-T480 HydrophobicContact CB-CG2 4.18Å; E382-T480 HydrophobicContact CG-CG2 4.31Å; N383-T480 PolarHBondContact O-N 3.38Å; N383-T480 PolarHBondContact OD1-N 3.39Å; G478-T480 PolarHBondContact O-N 2.75Å; T480-I482 VanDerWaalsContact C-N 3.28Å; T480-I482 PolarHBondContact O-N 3.27Å; T480-H534 PolarHBondContact O-CE1 2.95Å; T480-Q536 PolarHBondContact OG1-OE1 3.16Å
481K88.6Confident85.2Confident26 Ų262.6 Ų2.611%0.1132%0.016CC..G310 helixtrans-79.8-9.3177.8-55.2-170.9177.378.10113.6G478 G479 T483 T484 A485 H534 D570G478-K481 PolarHBondContact O-N 2.74Å; G479-K481 PolarHBondContact O-N 2.77Å; K481-T483 PolarHBondContact O-N 2.82Å; K481-T484 PolarHBondContact O-N 3.06Å; K481-T484 PolarHBondContact O-OG1 2.9Å; K481-T484 VanDerWaalsContact O-OG1 3.06Å; K481-A485 WeakPolarHBondContact O-CB 3.09Å; K481-A485 PolarHBondContact O-N 2.85Å; K481-H534 HydrophobicContact CD-CB 4.38Å; K481-H534 HydrophobicContact CG-CB 4.36Å; K481-D570 WeakPolarHBondContact CD-OD1 3.22Å; K481-D570 WeakPolarHBondContact CD-OD2 3.43Å; K481-D570 WeakPolarHBondContact CE-OD2 3.4Å; K481-D570 IonicContact NZ-OD2 3.79Å; K481-D570 PolarHBondContact NZ-OD2 2.68Å
482I87.8Confident82.7Confident0 Ų02.8 Ų2.80%02%0.017CC..Hα-helixtrans-56.1-50.4-178.2-70164.9000111.1T386 S457 M458 A476 G479 T480 T484 A485 T486T386-I482 HydrophobicContact CG2-CD1 3.77Å; S457-I482 WeakPolarHBondContact O-CB 3.39Å; S457-I482 VanDerWaalsContact O-CG2 3.3Å; S457-I482 WeakPolarHBondContact O-CG2 3.13Å; M458-I482 HydrophobicContact CG-CD1 4.16Å; A476-I482 HydrophobicContact CB-CB 4.48Å; A476-I482 HydrophobicContact CB-CG2 4.19Å; A476-I482 WeakPolarHBondContact O-CG2 3.32Å; G479-I482 VanDerWaalsContact O-CB 3.31Å; G479-I482 WeakPolarHBondContact O-CB 3.37Å; G479-I482 VanDerWaalsContact O-CD1 3.24Å; G479-I482 WeakPolarHBondContact O-CD1 3.26Å; G479-I482 WeakPolarHBondContact O-CG1 3.14Å; G479-I482 PolarHBondContact O-N 3.04Å; T480-I482 VanDerWaalsContact C-N 3.28Å; T480-I482 PolarHBondContact O-N 3.27Å; I482-T484 PolarHBondContact O-N 3.31Å; I482-A485 PolarHBondContact O-N 3.47Å; I482-T486 VanDerWaalsContact O-CB 3.23Å; I482-T486 WeakPolarHBondContact O-CB 3.27Å; I482-T486 PolarHBondContact O-N 2.77Å; I482-T486 PolarHBondContact O-OG1 2.75Å
483T89.9Confident80.1Confident0 Ų05.8 Ų5.80%03%0.031CC..Hα-helixtrans-60.8-47.1-176.6-380000111.7V290 L291 I294 Y329 S457 K481 A487V290-T483 HydrophobicContact CB-CG2 4.04Å; V290-T483 HydrophobicContact CG1-CG2 3.98Å; L291-T483 HydrophobicContact CB-CG2 3.86Å; I294-T483 HydrophobicContact CD1-CG2 3.97Å; Y329-T483 VanDerWaalsContact OH-CB 3.26Å; Y329-T483 WeakPolarHBondContact OH-CB 2.9Å; Y329-T483 PolarHBondContact OH-OG1 2.7Å; S457-T483 PolarHBondContact O-OG1 3.21Å; K481-T483 PolarHBondContact O-N 2.82Å; T483-A487 WeakPolarHBondContact O-CB 3.4Å; T483-A487 PolarHBondContact O-N 3.02Å
484T90.7Very high77.2Confident2 Ų28 Ų81%0.0125%0.046CC..Hα-helixtrans-71.1-39.6-17956.90000112.1F325 Y329 K481 I482 A487 L488 H534F325-T484 HydrophobicContact CB-CG2 4.13Å; F325-T484 HydrophobicContact CD1-CG2 3.85Å; F325-T484 HydrophobicContact CD2-CG2 3.52Å; F325-T484 HydrophobicContact CE1-CG2 4.05Å; F325-T484 HydrophobicContact CE2-CG2 3.74Å; F325-T484 HydrophobicContact CG-CG2 3.58Å; F325-T484 HydrophobicContact CZ-CG2 3.99Å; Y329-T484 HydrophobicContact CE2-CG2 3.83Å; K481-T484 PolarHBondContact O-N 3.06Å; K481-T484 PolarHBondContact O-OG1 2.9Å; K481-T484 VanDerWaalsContact O-OG1 3.06Å; I482-T484 PolarHBondContact O-N 3.31Å; T484-A487 PolarHBondContact O-N 3.44Å; T484-L488 WeakPolarHBondContact O-CB 3.45Å; T484-L488 VanDerWaalsContact O-CG 3.25Å; T484-L488 WeakPolarHBondContact O-CG 3.31Å; T484-L488 PolarHBondContact O-N 3.37Å; T484-H534 WeakPolarHBondContact CG2-ND1 2.76Å; T484-H534 PolarHBondContact OG1-ND1 2.88Å
485A88.6Confident74.5Confident1 Ų113.3 Ų13.31%0.0087%0.074CC..Hα-helixtrans-66.1-40.4176.800000111.4A476 K481 I482 L488 V489 V573A476-A485 HydrophobicContact CB-CB 3.76Å; K481-A485 WeakPolarHBondContact O-CB 3.09Å; K481-A485 PolarHBondContact O-N 2.85Å; I482-A485 PolarHBondContact O-N 3.47Å; A485-L488 PolarHBondContact O-N 2.83Å; A485-V489 PolarHBondContact O-N 2.91Å; A485-V573 HydrophobicContact CB-CG2 4.12Å
486T86.8Confident71.5Confident0 Ų018.7 Ų18.70%011%0.111CC..Hα-helixtrans-61.6-50.2173.1-56.10000109.4L291 A476 I482 L488 V489 S490L291-T486 HydrophobicContact CD2-CG2 3.75Å; A476-T486 WeakPolarHBondContact CB-OG1 3.36Å; A476-T486 PolarHBondContact N-OG1 3.28Å; I482-T486 VanDerWaalsContact O-CB 3.23Å; I482-T486 WeakPolarHBondContact O-CB 3.27Å; I482-T486 PolarHBondContact O-N 2.77Å; I482-T486 PolarHBondContact O-OG1 2.75Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 3.42Å; T486-V489 PolarHBondContact O-N 3.41Å; T486-V489 VanDerWaalsContact O-N 3.1Å; T486-S490 VanDerWaalsContact C-OG 3.3Å; T486-S490 WeakPolarHBondContact CG2-OG 3.48Å; T486-S490 WeakPolarHBondContact O-CB 3.37Å; T486-S490 PolarHBondContact O-N 3.21Å; T486-S490 PolarHBondContact O-OG 2.92Å
487A87.4Confident68.6Low0 Ų023.7 Ų23.70%015%0.146CC..Hα-helixtrans-55-44.417700000112.6L291 I294 L295 F325 T483 T484 V489 L515L291-A487 HydrophobicContact CD1-CB 3.66Å; I294-A487 HydrophobicContact CG2-CB 3.8Å; L295-A487 HydrophobicContact CD2-CB 4.49Å; F325-A487 HydrophobicContact CE1-CB 4.3Å; T483-A487 WeakPolarHBondContact O-CB 3.4Å; T483-A487 PolarHBondContact O-N 3.02Å; T484-A487 PolarHBondContact O-N 3.44Å; A487-V489 VanDerWaalsContact C-N 3.26Å; A487-V489 PolarHBondContact O-N 3.27Å; A487-L515 HydrophobicContact CB-CD1 4.17Å; A487-L515 WeakPolarHBondContact O-CD1 3.32Å
488L82.2Confident66.1Low2 Ų230 Ų301%0.0119%0.187CC..Hα-helixtrans-61.4-31.7179.9-73.6166.4000113.3I321 F325 T484 A485 T486 L515 N516 R532 V533I321-L488 HydrophobicContact CG2-CD2 4.39Å; F325-L488 HydrophobicContact CZ-CD2 4.38Å; F325-L488 HydrophobicContact CZ-CG 4.18Å; T484-L488 WeakPolarHBondContact O-CB 3.45Å; T484-L488 VanDerWaalsContact O-CG 3.25Å; T484-L488 WeakPolarHBondContact O-CG 3.31Å; T484-L488 PolarHBondContact O-N 3.37Å; A485-L488 PolarHBondContact O-N 2.83Å; T486-L488 VanDerWaalsContact C-N 3.31Å; T486-L488 PolarHBondContact O-N 3.42Å; L488-L515 HydrophobicContact CD2-CB 4.13Å; L488-L515 HydrophobicContact CD2-CD1 4.05Å; L488-L515 HydrophobicContact CD2-CD2 4.38Å; L488-L515 HydrophobicContact CD2-CG 4.39Å; L488-L515 HydrophobicContact CG-CD1 4.45Å; L488-L515 WeakPolarHBondContact O-CB 3.47Å; L488-N516 WeakPolarHBondContact O-CB 3.48Å; L488-N516 PolarHBondContact O-N 2.82Å; L488-R532 HydrophobicContact CD1-CB 4.15Å; L488-R532 HydrophobicContact CD1-CG 4.37Å; L488-V533 WeakPolarHBondContact CD1-O 3.26Å
489V71.2Confident63.8Low0 Ų035.4 Ų35.40%022%0.217CC..Hα-helixtrans-105.8-19.3-174.4-177.40000114.3M472 V474 A485 T486 A487 T491 V528 V573M472-V489 HydrophobicContact CE-CG1 3.98Å; M472-V489 WeakPolarHBondContact CE-O 3.2Å; V474-V489 HydrophobicContact CG2-CB 4.5Å; V474-V489 HydrophobicContact CG2-CG1 4.28Å; A485-V489 PolarHBondContact O-N 2.91Å; T486-V489 PolarHBondContact O-N 3.41Å; T486-V489 VanDerWaalsContact O-N 3.1Å; A487-V489 VanDerWaalsContact C-N 3.26Å; A487-V489 PolarHBondContact O-N 3.27Å; V489-T491 PolarHBondContact O-N 3.22Å; V489-V528 HydrophobicContact CG1-CG2 4.03Å; V489-V573 HydrophobicContact CB-CG1 3.85Å; V489-V573 HydrophobicContact CB-CG2 4.44Å; V489-V573 HydrophobicContact CG1-CG1 3.64Å; V489-V573 HydrophobicContact CG2-CB 4.24Å; V489-V573 HydrophobicContact CG2-CG1 4.03Å; V489-V573 HydrophobicContact CG2-CG2 3.88Å
490S57.8Low61.3Low1 Ų142.7 Ų42.71%0.00726%0.256CS..  trans-68.444.4-167.5-69.90000116.1I463 V474 T486I463-S490 WeakPolarHBondContact CD1-O 3.43Å; V474-S490 VanDerWaalsContact CG1-OG 3.22Å; V474-S490 WeakPolarHBondContact CG1-OG 3.25Å; T486-S490 VanDerWaalsContact C-OG 3.3Å; T486-S490 WeakPolarHBondContact CG2-OG 3.48Å; T486-S490 WeakPolarHBondContact O-CB 3.37Å; T486-S490 PolarHBondContact O-N 3.21Å; T486-S490 PolarHBondContact O-OG 2.92Å
491T55.1Low59Low5 Ų546.9 Ų46.93%0.03129%0.286CS..  trans-152.5140-169.345.70000109.5M472 V489 V513 I514 L515 S517 L518M472-T491 PolarHBondContact SD-N 3.48Å; V489-T491 PolarHBondContact O-N 3.22Å; T491-V513 WeakPolarHBondContact CG2-O 3.39Å; T491-I514 VanDerWaalsContact CB-O 3.31Å; T491-I514 WeakPolarHBondContact CB-O 3.41Å; T491-I514 HydrophobicContact CG2-CB 3.2Å; T491-I514 HydrophobicContact CG2-CG2 3.5Å; T491-I514 VanDerWaalsContact CG2-CG2 3.5Å; T491-I514 PolarHBondContact OG1-O 3.49Å; T491-L515 PolarHBondContact OG1-N 2.88Å; T491-S517 WeakPolarHBondContact O-CB 3.27Å; T491-S517 PolarHBondContact O-OG 3.35Å; T491-L518 VanDerWaalsContact CB-CG 3.41Å; T491-L518 HydrophobicContact CG2-CB 4.18Å; T491-L518 HydrophobicContact CG2-CD1 3.62Å; T491-L518 HydrophobicContact CG2-CG 4.08Å
492T39.1Very low56.5Low6 Ų654.2 Ų54.24%0.03732%0.32CS..  trans-156.4135.7166.242.80000111.3K471 M472 L518 L524 V577K471-T492 WeakPolarHBondContact CE-O 3.26Å; K471-T492 WeakPolarHBondContact CE-OG1 3.34Å; M472-T492 HydrophobicContact SD-CG2 3.98Å; T492-L518 VanDerWaalsContact N-CD1 3.26Å; T492-L518 VanDerWaalsContact N-CG 3.28Å; T492-L518 WeakPolarHBondContact O-CD2 3.13Å; T492-L524 HydrophobicContact CG2-CD1 4.1Å; T492-V577 VanDerWaalsContact CB-CG1 3.47Å; T492-V577 HydrophobicContact CG2-CB 3.97Å; T492-V577 HydrophobicContact CG2-CG1 3.57Å; T492-V577 HydrophobicContact CG2-CG2 3.26Å; T492-V577 WeakPolarHBondContact OG1-CG1 3.34Å
493Q37.5Very low53.9Low64 Ų6459.5 Ų59.530%0.29936%0.357SS..PPolyproline II helixtrans-92.5144168.5-82.5-140.5-72.800107.9Q511 L518Q493-Q511 PolarHBondContact NE2-O 3.4Å; Q493-L518 VanDerWaalsContact CA-CD2 3.45Å; Q493-L518 HydrophobicContact CB-CD2 3.54Å; Q493-L518 HydrophobicContact CG-CD2 2.89Å; Q493-L518 HydrophobicContact CG-CG 4.34Å
494P37.3Very low51.3Low47 Ų4764.8 Ų64.831%0.30540%0.401SS..PPolyproline II helixtrans-89133154.926.4-12.9000110.1K471K471-P494 HydrophobicContact CD-CG 4.44Å; K471-P494 VanDerWaalsContact NZ-CG 3.25Å
495L38.3Very low48.6Very low112 Ų11269.3 Ų69.359%0.58643%0.432SS*.PPolyproline II helixtrans-65.5131.8163.7-9096.7000109.6
496S31.6Very low46.1Very low113 Ų11372.5 Ų72.579%0.7945%0.454SS*.  trans-114.7101.1169.260.30000111.9
497S31.3Very low43.5Very low105 Ų10580.3 Ų80.373%0.73449%0.488SS*.SBendtrans169.6157.7140.952.70000110.7
498P35.5Very low41Very low132 Ų13285 Ų8586%0.85752%0.516SS*.  trans-77.2128.4-157.830.8-30.5000111.6
499V34.8Very low38.4Very low126 Ų12691.5 Ų91.576%0.76454%0.542SS*.  trans-100.5115.5-179.4178.10000110S501V499-S501 PolarHBondContact O-N 2.78Å
500D33Very low36.3Very low153 Ų15399.4 Ų99.482%0.81857%0.572SS**  trans-51.8129.7155.2-79.7-42.1000110.1
501S35.5Very low34.9Very low90 Ų90106.2 Ų106.263%0.62960%0.604SS**SBendtrans-45.9142.9176.656.20000113.4V499V499-S501 PolarHBondContact O-N 2.78Å
502H35.6Very low33.6Very low180 Ų180111 Ų11183%0.83363%0.626SS**SBendtrans101.758.8165.8-51.782.5000117.8
503S31.8Very low33.4Very low111 Ų111110.9 Ų110.978%0.77663%0.625SS**  trans179.8101140.5-178.20000109.7S505S503-S505 PolarHBondContact O-N 2.95Å
504A35.3Very low34.1Very low111 Ų111107.9 Ų107.992%0.91761%0.611SS**  trans-88.396.1-177.800000110.6
505S35.6Very low34.8Very low97 Ų97105.7 Ų105.768%0.67860%0.596SS**  trans-150.7131.8159.5-166.60000108.3S503 K507S503-S505 PolarHBondContact O-N 2.95Å; S505-K507 PolarHBondContact O-N 2.81Å
506C35.4Very low35.4Very low68 Ų68100.4 Ų100.446%0.45957%0.569SS.*  trans-66.193.9-174.6-157.60000110.7
507K32.2Very low36Very low164 Ų16495.3 Ų95.371%0.71353%0.533SS*.  trans-143122.4166.8-72.4-173.9178.9-179.60108.5S505S505-K507 PolarHBondContact O-N 2.81Å
508T35.6Very low36.6Very low97 Ų9791.1 Ų91.160%0.59550%0.502SS*.  trans171.4150.4136.6-66.40000110.5
509Y27.4Very low37.1Very low139 Ų13985 Ų8555%0.54546%0.462SS..  trans-101.7160.7-154.1-76.7-102.1000118.4D305D305-Y509 HydrophobicContact CB-CE1 3.95Å; D305-Y509 WeakPolarHBondContact OD2-CD1 3.3Å; D305-Y509 WeakPolarHBondContact OD2-CE1 3.18Å
510W26.9Very low37.8Very low167 Ų16779.7 Ų79.763%0.63343%0.429SS*.  trans87.2100.1152.9-53.4113.2000122.1T304T304-W510 HydrophobicContact CG2-CZ3 4.23Å
511Q27.3Very low38.8Very low144 Ų14475.3 Ų75.367%0.67341%0.405SS*.  178.3106.6102.9-117.7175.7-2.700112.5Q493Q493-Q511 PolarHBondContact NE2-O 3.4Å
512Q28.4Very low40.1Very low106 Ų10672.3 Ų72.350%0.49538%0.38SS..  trans50.7115.5154.2-70.2-177.29.300123.4
513V35.9Very low41.7Very low3 Ų366.4 Ų66.42%0.01836%0.355CS..  134.6102.5119.2-169.50000120.2V274 D299 T491 L518V274-V513 HydrophobicContact CG1-CB 4.41Å; V274-V513 HydrophobicContact CG1-CG1 3.29Å; D299-V513 WeakPolarHBondContact OD1-CG1 3Å; D299-V513 WeakPolarHBondContact OD1-CG2 3.47Å; T491-V513 WeakPolarHBondContact CG2-O 3.39Å; V513-L518 WeakPolarHBondContact O-CB 3.23Å; V513-L518 WeakPolarHBondContact O-CD1 3.4Å; V513-L518 WeakPolarHBondContact O-CG 3.49Å
514I50.3Low43.9Very low1 Ų161.2 Ų61.21%0.00532%0.319CS..  trans108.4158.9152.9-60.2169.6000121.5V274 L295 V298 D299 T491 L518 F519V274-I514 HydrophobicContact CG1-CD1 3.39Å; V274-I514 HydrophobicContact CG1-CG1 4.32Å; L295-I514 HydrophobicContact CB-CD1 4.21Å; L295-I514 HydrophobicContact CD2-CD1 3.9Å; L295-I514 HydrophobicContact CD2-CG2 3.59Å; L295-I514 WeakPolarHBondContact O-CD1 3.21Å; V298-I514 HydrophobicContact CG1-CD1 4.35Å; V298-I514 HydrophobicContact CG1-CG1 4.03Å; D299-I514 HydrophobicContact CB-CD1 4.2Å; T491-I514 VanDerWaalsContact CB-O 3.31Å; T491-I514 WeakPolarHBondContact CB-O 3.41Å; T491-I514 HydrophobicContact CG2-CB 3.2Å; T491-I514 HydrophobicContact CG2-CG2 3.5Å; T491-I514 VanDerWaalsContact CG2-CG2 3.5Å; T491-I514 PolarHBondContact OG1-O 3.49Å; I514-L518 CarbonylContact O-C 3.58Å; I514-L518 VanDerWaalsContact O-CA 3.26Å; I514-L518 WeakPolarHBondContact O-CA 3.25Å; I514-L518 WeakPolarHBondContact O-CB 3.48Å; I514-L518 PolarHBondContact O-N 3.48Å; I514-F519 HydrophobicContact CB-CE2 3.95Å; I514-F519 HydrophobicContact CB-CZ 3.96Å; I514-F519 HydrophobicContact CG1-CE1 4.17Å; I514-F519 HydrophobicContact CG1-CE2 3.59Å; I514-F519 HydrophobicContact CG1-CZ 3.27Å; I514-F519 HydrophobicContact CG2-CE2 4.48Å; I514-F519 VanDerWaalsContact N-CD1 3.29Å; I514-F519 PolarHBondContact O-N 2.98Å; I514-F519 VanDerWaalsContact O-N 3.11Å
515L54Low46.1Very low1 Ų158.6 Ų58.61%0.00529%0.286CS..THydrogen-bonded Turn-50.4-69.3-120.6-78.5156.2000119.8V298 I321 A487 L488 T491 F519 F520V298-L515 HydrophobicContact CG1-CD2 4.19Å; V298-L515 HydrophobicContact CG1-CG 4.35Å; I321-L515 HydrophobicContact CB-CD2 4.39Å; I321-L515 HydrophobicContact CD1-CD2 3.1Å; I321-L515 HydrophobicContact CG1-CD2 3.38Å; I321-L515 HydrophobicContact CG2-CD1 4.36Å; I321-L515 HydrophobicContact CG2-CD2 4.09Å; A487-L515 HydrophobicContact CB-CD1 4.17Å; A487-L515 WeakPolarHBondContact O-CD1 3.32Å; L488-L515 HydrophobicContact CD2-CB 4.13Å; L488-L515 HydrophobicContact CD2-CD1 4.05Å; L488-L515 HydrophobicContact CD2-CD2 4.38Å; L488-L515 HydrophobicContact CD2-CG 4.39Å; L488-L515 HydrophobicContact CG-CD1 4.45Å; L488-L515 WeakPolarHBondContact O-CB 3.47Å; T491-L515 PolarHBondContact OG1-N 2.88Å; L515-F519 VanDerWaalsContact CA-CD2 3.46Å; L515-F519 HydrophobicContact CD2-CD2 4.26Å; L515-F519 HydrophobicContact CD2-CE2 4.21Å; L515-F519 HydrophobicContact CG-CD2 4.46Å; L515-F519 HydrophobicContact CG-CE2 4.31Å; L515-F519 WeakPolarHBondContact O-CB 3.4Å; L515-F520 VanDerWaalsContact O-CD2 3.23Å; L515-F520 WeakPolarHBondContact O-CD2 3.13Å; L515-F520 WeakPolarHBondContact O-CE2 3.32Å; L515-F520 WeakPolarHBondContact O-CZ 3.45Å
516N49.6Very low48.1Very low1 Ų158 Ų581%0.00527%0.272CS..THydrogen-bonded Turntrans-91.7-46.5-174.7-73.5-17.3000112.8L488 F520 Y522 A527L488-N516 WeakPolarHBondContact O-CB 3.48Å; L488-N516 PolarHBondContact O-N 2.82Å; N516-F520 WeakPolarHBondContact OD1-CE2 3.36Å; N516-Y522 HydrophobicContact CB-CD2 3.9Å; N516-Y522 HydrophobicContact CB-CE2 4.39Å; N516-Y522 WeakPolarHBondContact O-CB 3.49Å; N516-Y522 VanDerWaalsContact O-CG 3.26Å; N516-A527 HydrophobicContact CB-CB 3.81Å
517S45.2Very low50.2Low6 Ų654.8 Ų54.84%0.04225%0.25CS..THydrogen-bonded Turntrans-82.1-32.8-174.5-63.80000114.4T491 A527T491-S517 WeakPolarHBondContact O-CB 3.27Å; T491-S517 PolarHBondContact O-OG 3.35Å; S517-A527 WeakPolarHBondContact OG-CB 3.35Å
518L43.9Very low52.6Low17 Ų1747 Ų479%0.08922%0.216CC..THydrogen-bonded Turntrans-95.9-29.7-179-73.9172.8000113.5Y277 T491 T492 Q493 V513 I514Y277-L518 HydrophobicContact CD2-CD1 4.16Å; Y277-L518 HydrophobicContact CE2-CD1 3.65Å; Y277-L518 HydrophobicContact CE2-CD2 4.43Å; T491-L518 VanDerWaalsContact CB-CG 3.41Å; T491-L518 HydrophobicContact CG2-CB 4.18Å; T491-L518 HydrophobicContact CG2-CD1 3.62Å; T491-L518 HydrophobicContact CG2-CG 4.08Å; T492-L518 VanDerWaalsContact N-CD1 3.26Å; T492-L518 VanDerWaalsContact N-CG 3.28Å; T492-L518 WeakPolarHBondContact O-CD2 3.13Å; Q493-L518 VanDerWaalsContact CA-CD2 3.45Å; Q493-L518 HydrophobicContact CB-CD2 3.54Å; Q493-L518 HydrophobicContact CG-CD2 2.89Å; Q493-L518 HydrophobicContact CG-CG 4.34Å; V513-L518 WeakPolarHBondContact O-CB 3.23Å; V513-L518 WeakPolarHBondContact O-CD1 3.4Å; V513-L518 WeakPolarHBondContact O-CG 3.49Å; I514-L518 CarbonylContact O-C 3.58Å; I514-L518 VanDerWaalsContact O-CA 3.26Å; I514-L518 WeakPolarHBondContact O-CA 3.25Å; I514-L518 WeakPolarHBondContact O-CB 3.48Å; I514-L518 PolarHBondContact O-N 3.48Å
519F45.3Very low54.9Low3 Ų346.4 Ų46.41%0.01321%0.208CC..THydrogen-bonded Turntrans-94.1-27.7-179.1-63.5-45.1000116V298 F303 T304 D305 I514 L515V298-F519 HydrophobicContact CG1-CE2 3.61Å; V298-F519 HydrophobicContact CG1-CZ 3.97Å; F303-F519 HydrophobicContact CB-CB 4.29Å; F303-F519 HydrophobicContact CB-CD1 3.62Å; F303-F519 HydrophobicContact CB-CD2 3.9Å; F303-F519 HydrophobicContact CB-CE1 3.69Å; F303-F519 HydrophobicContact CB-CE2 4Å; F303-F519 HydrophobicContact CB-CG 3.74Å; F303-F519 HydrophobicContact CB-CZ 3.9Å; F303-F519 AromaticContact CD2-CD2 3.95Å; F303-F519 HydrophobicContact CD2-CD2 3.95Å; F303-F519 AromaticContact CD2-CE2 3.52Å; F303-F519 HydrophobicContact CD2-CE2 3.52Å; F303-F519 AromaticContact CD2-CZ 3.85Å; F303-F519 HydrophobicContact CD2-CZ 3.85Å; F303-F519 HydrophobicContact CG-CD2 4.41Å; F303-F519 HydrophobicContact CG-CE2 4.25Å; F303-F519 HydrophobicContact CG-CZ 4.35Å; F303-F519 VanDerWaalsContact O-CD1 3.27Å; F303-F519 WeakPolarHBondContact O-CD1 3.23Å; T304-F519 CarbonylContact C-O 3.58Å; D305-F519 PolarHBondContact N-O 2.81Å; I514-F519 HydrophobicContact CB-CE2 3.95Å; I514-F519 HydrophobicContact CB-CZ 3.96Å; I514-F519 HydrophobicContact CG1-CE1 4.17Å; I514-F519 HydrophobicContact CG1-CE2 3.59Å; I514-F519 HydrophobicContact CG1-CZ 3.27Å; I514-F519 HydrophobicContact CG2-CE2 4.48Å; I514-F519 VanDerWaalsContact N-CD1 3.29Å; I514-F519 PolarHBondContact O-N 2.98Å; I514-F519 VanDerWaalsContact O-N 3.11Å; L515-F519 VanDerWaalsContact CA-CD2 3.46Å; L515-F519 HydrophobicContact CD2-CD2 4.26Å; L515-F519 HydrophobicContact CD2-CE2 4.21Å; L515-F519 HydrophobicContact CG-CD2 4.46Å; L515-F519 HydrophobicContact CG-CE2 4.31Å; L515-F519 WeakPolarHBondContact O-CB 3.4Å
520F50.2Low57.5Low15 Ų1541.7 Ų41.77%0.06619%0.19CC..SBendtrans-111.68.3-173.1-48.8-33.3000112.6V308 T317 L515 N516 Y522V308-F520 HydrophobicContact CB-CD1 3.9Å; V308-F520 HydrophobicContact CB-CE1 4.11Å; V308-F520 HydrophobicContact CG1-CD1 3.34Å; V308-F520 HydrophobicContact CG1-CE1 3.05Å; V308-F520 HydrophobicContact CG1-CE2 4.4Å; V308-F520 HydrophobicContact CG1-CG 4.18Å; V308-F520 HydrophobicContact CG1-CZ 3.64Å; V308-F520 HydrophobicContact CG2-CB 4.19Å; V308-F520 HydrophobicContact CG2-CD1 3.31Å; V308-F520 HydrophobicContact CG2-CE1 3.99Å; V308-F520 HydrophobicContact CG2-CG 3.95Å; T317-F520 HydrophobicContact CG2-CE1 4.02Å; T317-F520 HydrophobicContact CG2-CZ 3.89Å; L515-F520 VanDerWaalsContact O-CD2 3.23Å; L515-F520 WeakPolarHBondContact O-CD2 3.13Å; L515-F520 WeakPolarHBondContact O-CE2 3.32Å; L515-F520 WeakPolarHBondContact O-CZ 3.45Å; N516-F520 WeakPolarHBondContact OD1-CE2 3.36Å; F520-Y522 VanDerWaalsContact C-N 3.28Å; F520-Y522 HydrophobicContact CB-CD1 3.55Å; F520-Y522 HydrophobicContact CB-CE1 3.33Å; F520-Y522 HydrophobicContact CB-CG 4.25Å; F520-Y522 HydrophobicContact CD2-CE1 4.46Å; F520-Y522 HydrophobicContact CD2-CE2 4.39Å; F520-Y522 HydrophobicContact CG-CE1 4.33Å; F520-Y522 WeakPolarHBondContact O-CD1 3.21Å; F520-Y522 WeakPolarHBondContact O-CE1 3.49Å; F520-Y522 PolarHBondContact O-N 3.38Å
521N54.5Low60.2Low60 Ų6035 Ų3532%0.32117%0.168SC..  trans54.940.9-175.7-171.239.5000112.6D305D305-N521 PolarHBondContact OD1-N 2.9Å
522Y61.6Low63.1Low27 Ų2728.5 Ų28.511%0.10614%0.138CC..  trans-81.7136.6176.7-68.68.6000109.4N516 F520 K526 E530N516-Y522 HydrophobicContact CB-CD2 3.9Å; N516-Y522 HydrophobicContact CB-CE2 4.39Å; N516-Y522 WeakPolarHBondContact O-CB 3.49Å; N516-Y522 VanDerWaalsContact O-CG 3.26Å; F520-Y522 VanDerWaalsContact C-N 3.28Å; F520-Y522 HydrophobicContact CB-CD1 3.55Å; F520-Y522 HydrophobicContact CB-CE1 3.33Å; F520-Y522 HydrophobicContact CB-CG 4.25Å; F520-Y522 HydrophobicContact CD2-CE1 4.46Å; F520-Y522 HydrophobicContact CD2-CE2 4.39Å; F520-Y522 HydrophobicContact CG-CE1 4.33Å; F520-Y522 WeakPolarHBondContact O-CD1 3.21Å; F520-Y522 WeakPolarHBondContact O-CE1 3.49Å; F520-Y522 PolarHBondContact O-N 3.38Å; Y522-K526 HydrophobicContact CD1-CD 3.57Å; Y522-K526 HydrophobicContact CD1-CG 4.3Å; Y522-K526 VanDerWaalsContact CD1-NZ 3.28Å; Y522-K526 HydrophobicContact CD2-CB 4.24Å; Y522-K526 HydrophobicContact CD2-CD 3.76Å; Y522-K526 HydrophobicContact CD2-CG 3.56Å; Y522-K526 HydrophobicContact CE1-CD 3.92Å; Y522-K526 HydrophobicContact CE2-CD 4.05Å; Y522-K526 HydrophobicContact CE2-CG 3.96Å; Y522-K526 HydrophobicContact CG-CB 4.21Å; Y522-K526 HydrophobicContact CG-CD 3.5Å; Y522-K526 VanDerWaalsContact CG-CD 3.5Å; Y522-K526 HydrophobicContact CG-CG 3.73Å; Y522-K526 VanDerWaalsContact CZ-NZ 3.34Å; Y522-E530 HydrophobicContact CE2-CB 4.11Å; Y522-E530 HydrophobicContact CE2-CG 3.8Å; Y522-E530 PolarHBondContact OH-OE1 2.85Å
523D69.8Low66Low56 Ų5623.5 Ų23.530%0.29911%0.114SC..  trans-63.3162.8159.96048.5000110.2K525 K526 A527D523-K525 PolarHBondContact O-N 2.92Å; D523-K525 WeakPolarHBondContact OD1-CB 3.33Å; D523-K525 PolarHBondContact OD1-N 2.93Å; D523-K526 PolarHBondContact O-N 3.41Å; D523-K526 VanDerWaalsContact O-N 3.16Å; D523-K526 VanDerWaalsContact OD1-CB 3.25Å; D523-K526 WeakPolarHBondContact OD1-CB 3.26Å; D523-K526 PolarHBondContact OD1-N 3.41Å; D523-A527 PolarHBondContact O-N 2.99Å
524L78.2Confident68.6Low2 Ų223.8 Ų23.81%0.0112%0.116CC..Hα-helixtrans-57.1-38.7-175.1-176.758.1000111.8M472 T492 A527 V528 A575 V577 C584 E586M472-L524 HydrophobicContact CE-CD1 4.26Å; T492-L524 HydrophobicContact CG2-CD1 4.1Å; L524-A527 PolarHBondContact O-N 3.4Å; L524-V528 HydrophobicContact CD1-CG2 4.32Å; L524-V528 WeakPolarHBondContact O-CG2 3.41Å; L524-V528 PolarHBondContact O-N 2.81Å; L524-A575 HydrophobicContact CD1-CB 3.82Å; L524-A575 HydrophobicContact CD2-CB 4.34Å; L524-A575 HydrophobicContact CG-CB 4.5Å; L524-V577 HydrophobicContact CD1-CG2 3.79Å; L524-V577 HydrophobicContact CD2-CB 4.06Å; L524-V577 HydrophobicContact CD2-CG2 3.7Å; L524-V577 HydrophobicContact CG-CG2 4.3Å; L524-C584 HydrophobicContact CD2-CB 4.33Å; L524-C584 WeakPolarHBondContact CD2-O 3.33Å; L524-E586 HydrophobicContact CB-CG 4.02Å; L524-E586 HydrophobicContact CD2-CB 3.96Å; L524-E586 HydrophobicContact CD2-CG 3.77Å; L524-E586 HydrophobicContact CG-CB 3.85Å; L524-E586 HydrophobicContact CG-CG 3.59Å
525K80.8Confident70.6Confident56 Ų5623.8 Ų23.824%0.24312%0.116CC..Hα-helixtrans-62.9-48.3179.6-178.4175.1-177.1170.20111.1D523 A527 V528 M529 E586D523-K525 PolarHBondContact O-N 2.92Å; D523-K525 WeakPolarHBondContact OD1-CB 3.33Å; D523-K525 PolarHBondContact OD1-N 2.93Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.4Å; K525-V528 PolarHBondContact O-N 3.12Å; K525-M529 HydrophobicContact CG-CE 4.14Å; K525-M529 HydrophobicContact CG-CG 4.47Å; K525-M529 HydrophobicContact CG-SD 4.17Å; K525-M529 WeakPolarHBondContact O-CB 3.46Å; K525-M529 VanDerWaalsContact O-CG 3.26Å; K525-M529 WeakPolarHBondContact O-CG 3.46Å; K525-M529 PolarHBondContact O-N 3.33Å; K525-E586 HydrophobicContact CB-CG 4.16Å
526K78.7Confident72.2Confident86 Ų8624.7 Ų24.737%0.37412%0.12SC..Hα-helixtrans-62.9-41177-173.2-179.1178.9-166.60110.8Y522 D523 V528 M529 E530Y522-K526 HydrophobicContact CD1-CD 3.57Å; Y522-K526 HydrophobicContact CD1-CG 4.3Å; Y522-K526 VanDerWaalsContact CD1-NZ 3.28Å; Y522-K526 HydrophobicContact CD2-CB 4.24Å; Y522-K526 HydrophobicContact CD2-CD 3.76Å; Y522-K526 HydrophobicContact CD2-CG 3.56Å; Y522-K526 HydrophobicContact CE1-CD 3.92Å; Y522-K526 HydrophobicContact CE2-CD 4.05Å; Y522-K526 HydrophobicContact CE2-CG 3.96Å; Y522-K526 HydrophobicContact CG-CB 4.21Å; Y522-K526 HydrophobicContact CG-CD 3.5Å; Y522-K526 VanDerWaalsContact CG-CD 3.5Å; Y522-K526 HydrophobicContact CG-CG 3.73Å; Y522-K526 VanDerWaalsContact CZ-NZ 3.34Å; D523-K526 PolarHBondContact O-N 3.41Å; D523-K526 VanDerWaalsContact O-N 3.16Å; D523-K526 VanDerWaalsContact OD1-CB 3.25Å; D523-K526 WeakPolarHBondContact OD1-CB 3.26Å; D523-K526 PolarHBondContact OD1-N 3.41Å; K526-V528 PolarHBondContact O-N 2.74Å; K526-M529 PolarHBondContact O-N 3.31Å; K526-E530 WeakPolarHBondContact O-CB 3.44Å; K526-E530 PolarHBondContact O-N 3.37Å
527A79.3Confident74Confident0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-64.4-39.3177.300000113.9N516 S517 D523 L524 K525N516-A527 HydrophobicContact CB-CB 3.81Å; S517-A527 WeakPolarHBondContact OG-CB 3.35Å; D523-A527 PolarHBondContact O-N 2.99Å; L524-A527 PolarHBondContact O-N 3.4Å; K525-A527 VanDerWaalsContact C-N 3.32Å; K525-A527 PolarHBondContact O-N 3.4Å
528V82.1Confident75.7Confident0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-69.8-38.4174.6169.90000111.3V489 L524 K525 K526 R532 V573 A575 E586 D588V489-V528 HydrophobicContact CG1-CG2 4.03Å; L524-V528 HydrophobicContact CD1-CG2 4.32Å; L524-V528 WeakPolarHBondContact O-CG2 3.41Å; L524-V528 PolarHBondContact O-N 2.81Å; K525-V528 PolarHBondContact O-N 3.12Å; K526-V528 PolarHBondContact O-N 2.74Å; V528-R532 PolarHBondContact O-NH2 2.81Å; V528-V573 HydrophobicContact CG2-CG1 4.49Å; V528-A575 HydrophobicContact CG2-CB 4.5Å; V528-E586 HydrophobicContact CB-CB 4.34Å; V528-E586 HydrophobicContact CG2-CB 3.87Å; V528-D588 HydrophobicContact CG1-CB 3.72Å
529M82.8Confident77.5Confident84 Ų8426.2 Ų26.241%0.41413%0.13SC..Hα-helixtrans-85.2-18.9-176.2-66.1-164.4-33.400114.6K525 K526 P589 R590K525-M529 HydrophobicContact CG-CE 4.14Å; K525-M529 HydrophobicContact CG-CG 4.47Å; K525-M529 HydrophobicContact CG-SD 4.17Å; K525-M529 WeakPolarHBondContact O-CB 3.46Å; K525-M529 VanDerWaalsContact O-CG 3.26Å; K525-M529 WeakPolarHBondContact O-CG 3.46Å; K525-M529 PolarHBondContact O-N 3.33Å; K526-M529 PolarHBondContact O-N 3.31Å; M529-P589 HydrophobicContact SD-CG 4.49Å; M529-R590 PolarHBondContact O-NH2 3.34Å
530E82.8Confident79.4Confident40 Ų4028.4 Ų28.419%0.18714%0.142CC..SBendtrans-54.1134.4-176.7-169.974.8162.300110.9Y522 K526 R532Y522-E530 HydrophobicContact CE2-CB 4.11Å; Y522-E530 HydrophobicContact CE2-CG 3.8Å; Y522-E530 PolarHBondContact OH-OE1 2.85Å; K526-E530 WeakPolarHBondContact O-CB 3.44Å; K526-E530 PolarHBondContact O-N 3.37Å; E530-R532 PolarHBondContact O-N 3.36Å
531P84.4Confident81.4Confident26 Ų2630 Ų3017%0.16915%0.15CC..PPolyproline II helixtrans-53.9127.7172.8-27.236.1000111.4E545 F548P531-E545 HydrophobicContact CB-CB 4.21Å; P531-F548 HydrophobicContact CB-CB 4.09Å; P531-F548 HydrophobicContact CB-CD2 3.92Å; P531-F548 HydrophobicContact CB-CG 4.48Å; P531-F548 WeakPolarHBondContact O-CD2 3.31Å; P531-F548 WeakPolarHBondContact O-CE2 3.24Å
532R87.3Confident83.2Confident8 Ų827.2 Ų27.23%0.0314%0.135CC..PPolyproline II helixtrans-91.5155.6-173.9-59.4178.4-173113.42.6112.8L488 V528 E530 V544 E545 S571 D588L488-R532 HydrophobicContact CD1-CB 4.15Å; L488-R532 HydrophobicContact CD1-CG 4.37Å; V528-R532 PolarHBondContact O-NH2 2.81Å; E530-R532 PolarHBondContact O-N 3.36Å; R532-V544 CarbonylContact O-C 3.54Å; R532-V544 WeakPolarHBondContact O-CA 3.48Å; R532-E545 HydrophobicContact CB-CG 4.15Å; R532-E545 PolarHBondContact N-OE2 3.35Å; R532-E545 IonicContact NH1-OE1 3.06Å; R532-E545 PolarHBondContact NH1-OE1 3.16Å; R532-E545 PolarHBondContact O-N 3.39Å; R532-S571 WeakPolarHBondContact CD-OG 3.38Å; R532-S571 VanDerWaalsContact NH1-C 3.35Å; R532-S571 PolarHBondContact NH1-O 3.04Å; R532-S571 PolarHBondContact NH1-OG 2.9Å; R532-D588 IonicContact CZ-OD2 3.8Å; R532-D588 VanDerWaalsContact CZ-OD2 3.3Å; R532-D588 IonicContact NH1-OD2 3.51Å; R532-D588 PolarHBondContact NH1-OD2 3.45Å; R532-D588 IonicContact NH2-OD2 2.79Å; R532-D588 PolarHBondContact NH2-OD2 3.04Å
533V89.3Confident84.6Confident1 Ų126.6 Ų26.61%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-118.5144.6167.561.20000109.6Y318 V322 L488 T542 V543 V544 F548Y318-V533 HydrophobicContact CD1-CG1 3.78Å; Y318-V533 HydrophobicContact CE1-CG1 3.99Å; V322-V533 HydrophobicContact CG2-CG1 4.34Å; V322-V533 HydrophobicContact CG2-CG2 3.63Å; L488-V533 WeakPolarHBondContact CD1-O 3.26Å; V533-T542 HydrophobicContact CG2-CG2 3.39Å; V533-V543 CarbonylContact C-O 3.58Å; V533-V543 WeakPolarHBondContact CA-O 3.48Å; V533-V544 HydrophobicContact CB-CG1 4.01Å; V533-V544 HydrophobicContact CG2-CG1 3.79Å; V533-F548 HydrophobicContact CB-CE2 3.92Å; V533-F548 HydrophobicContact CB-CZ 4.06Å; V533-F548 HydrophobicContact CG1-CE2 4.32Å; V533-F548 HydrophobicContact CG1-CZ 4.35Å
534H91.8Very high85.6Confident10 Ų1024 Ų245%0.04612%0.12CC..EExtended strand (participates in β ladder)trans-143.8140.8179.9171.776.3000110.7T480 K481 T484 Q536 T542 V543T480-H534 PolarHBondContact O-CE1 2.95Å; K481-H534 HydrophobicContact CD-CB 4.38Å; K481-H534 HydrophobicContact CG-CB 4.36Å; T484-H534 WeakPolarHBondContact CG2-ND1 2.76Å; T484-H534 PolarHBondContact OG1-ND1 2.88Å; H534-Q536 PolarHBondContact NE2-OE1 3.45Å; H534-T542 CarbonylContact O-C 3.52Å; H534-T542 WeakPolarHBondContact O-CA 3.34Å; H534-V543 PolarHBondContact N-O 2.81Å; H534-V543 PolarHBondContact O-N 3.43Å
535N91.6Very high86Confident0 Ų024.1 Ų24.10%012%0.121CC..  trans-149.4128166.4-167.6-50.3000107.9V322 F325 R326 L537 M541 T542V322-N535 HydrophobicContact CG1-CB 3.84Å; F325-N535 VanDerWaalsContact CB-O 3.27Å; F325-N535 WeakPolarHBondContact CB-O 3.44Å; R326-N535 HydrophobicContact CG-CB 4.22Å; R326-N535 WeakPolarHBondContact CG-OD1 3.43Å; R326-N535 PolarHBondContact NH1-ND2 3.09Å; R326-N535 PolarHBondContact NH1-OD1 3.03Å; N535-L537 WeakPolarHBondContact OD1-CA 3.34Å; N535-L537 PolarHBondContact OD1-N 3.22Å; N535-M541 PolarHBondContact ND2-O 3.26Å; N535-T542 PolarHBondContact ND2-N 3.47Å; N535-T542 PolarHBondContact ND2-OG1 2.97Å
536Q87.8Confident86.2Confident21 Ų2127.2 Ų27.210%0.09814%0.136CC..  trans-111.224.2-179.361.1-17848.700112.1Y329 E382 T480 H534 N538Y329-Q536 WeakPolarHBondContact CB-O 3.48Å; Y329-Q536 HydrophobicContact CD1-CB 3.5Å; Y329-Q536 VanDerWaalsContact CD1-CB 3.5Å; Y329-Q536 HydrophobicContact CD2-CB 4.44Å; Y329-Q536 HydrophobicContact CE1-CB 3.66Å; Y329-Q536 HydrophobicContact CG-CB 3.92Å; E382-Q536 PolarHBondContact OE1-NE2 2.79Å; T480-Q536 PolarHBondContact OG1-OE1 3.16Å; H534-Q536 PolarHBondContact NE2-OE1 3.45Å; Q536-N538 WeakPolarHBondContact CG-O 3.47Å; Q536-N538 PolarHBondContact NE2-O 2.92Å; Q536-N538 PolarHBondContact O-N 3.37Å
537L87.2Confident86.6Confident4 Ų426.5 Ų26.52%0.02115%0.153CC..SBendtrans65.7-50.1-171.1-175.667.5000114.7R326 A330 Y374 P376 N535 P539 N540R326-L537 HydrophobicContact CB-CD1 4.24Å; A330-L537 HydrophobicContact CB-CD2 3.65Å; Y374-L537 HydrophobicContact CD2-CD1 3.49Å; Y374-L537 VanDerWaalsContact CD2-CD1 3.49Å; Y374-L537 HydrophobicContact CE2-CD1 4.1Å; Y374-L537 HydrophobicContact CG-CD1 3.8Å; P376-L537 HydrophobicContact CB-CD2 3.65Å; P376-L537 HydrophobicContact CG-CD2 3.9Å; N535-L537 WeakPolarHBondContact OD1-CA 3.34Å; N535-L537 PolarHBondContact OD1-N 3.22Å; L537-P539 CarbonylContact C-O 3.58Å; L537-P539 CarbonylContact O-C 3.56Å; L537-P539 VanDerWaalsContact O-C 3.27Å; L537-N540 WeakPolarHBondContact O-CA 3.32Å; L537-N540 PolarHBondContact O-N 3.24Å; L537-N540 VanDerWaalsContact O-N 3.15Å
538N80.4Confident86.9Confident11 Ų1127.2 Ų27.26%0.05916%0.156CC..SBendtrans-128.1117.3-177.7-84.4-67.4000111.6D371 F379 I440 Q536D371-N538 PolarHBondContact OD2-OD1 2.82Å; F379-N538 HydrophobicContact CD2-CB 4.28Å; I440-N538 WeakPolarHBondContact CD1-ND2 3.27Å; Q536-N538 WeakPolarHBondContact CG-O 3.47Å; Q536-N538 PolarHBondContact NE2-O 2.92Å; Q536-N538 PolarHBondContact O-N 3.37Å
539P82.3Confident87.2Confident40 Ų4031 Ų3126%0.2617%0.174SC..SBendcis-63.71480.828-35.3000112.5E382 F438 L537 M541E382-P539 WeakPolarHBondContact OE1-CD 3.47Å; F438-P539 HydrophobicContact CE2-CB 4.01Å; F438-P539 HydrophobicContact CZ-CB 4.2Å; L537-P539 CarbonylContact C-O 3.58Å; L537-P539 CarbonylContact O-C 3.56Å; L537-P539 VanDerWaalsContact O-C 3.27Å; P539-M541 HydrophobicContact CG-CE 4.23Å; P539-M541 PolarHBondContact O-N 3.31Å
540N85.3Confident87.6Confident49 Ų4934.4 Ų34.426%0.26219%0.186SC..  trans-73.973.2178.3-174.5-1.6000111R326 D371 L537R326-N540 VanDerWaalsContact CZ-OD1 3.29Å; R326-N540 PolarHBondContact NH1-OD1 3.49Å; R326-N540 PolarHBondContact NH2-ND2 3.17Å; R326-N540 PolarHBondContact NH2-OD1 3.23Å; R326-N540 VanDerWaalsContact NH2-OD1 3.15Å; D371-N540 WeakPolarHBondContact OD1-CB 3.39Å; D371-N540 PolarHBondContact OD1-ND2 3.44Å; L537-N540 WeakPolarHBondContact O-CA 3.32Å; L537-N540 PolarHBondContact O-N 3.24Å; L537-N540 VanDerWaalsContact O-N 3.15Å
541M90.8Very high88.1Confident49 Ų4934.3 Ų34.324%0.24119%0.19CC..  trans-149126.3-175-179.4164.946.400109.5N535 P539 V543 Q564N535-M541 PolarHBondContact ND2-O 3.26Å; P539-M541 HydrophobicContact CG-CE 4.23Å; P539-M541 PolarHBondContact O-N 3.31Å; M541-V543 HydrophobicContact CG-CG2 4.17Å; M541-V543 PolarHBondContact O-N 2.87Å; M541-Q564 HydrophobicContact CG-CB 3.93Å; M541-Q564 HydrophobicContact SD-CB 3.53Å; M541-Q564 VanDerWaalsContact SD-CB 3.53Å; M541-Q564 HydrophobicContact SD-CG 4.19Å; M541-Q564 PolarHBondContact SD-OE1 2.64Å
542T92.7Very high88.5Confident1 Ų133.1 Ų33.11%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-86.2107.3174.5-63.30000108.7V322 V533 H534 N535 H561 V562 T563 Q564V322-T542 HydrophobicContact CG1-CG2 4.21Å; V322-T542 WeakPolarHBondContact CG1-OG1 3.3Å; V322-T542 HydrophobicContact CG2-CG2 4.04Å; V533-T542 HydrophobicContact CG2-CG2 3.39Å; H534-T542 CarbonylContact O-C 3.52Å; H534-T542 WeakPolarHBondContact O-CA 3.34Å; N535-T542 PolarHBondContact ND2-N 3.47Å; N535-T542 PolarHBondContact ND2-OG1 2.97Å; T542-H561 PolarHBondContact OG1-ND1 3.34Å; T542-V562 PolarHBondContact N-O 2.95Å; T542-T563 CarbonylContact O-C 3.53Å; T542-T563 VanDerWaalsContact O-CA 3.24Å; T542-T563 WeakPolarHBondContact O-CA 3.42Å; T542-Q564 PolarHBondContact O-N 3.39Å
543V91.6Very high88.8Confident15 Ų1533.7 Ų33.79%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-92.8134-177.21790000109.4V533 H534 M541 Q564 L566V533-V543 CarbonylContact C-O 3.58Å; V533-V543 WeakPolarHBondContact CA-O 3.48Å; H534-V543 PolarHBondContact N-O 2.81Å; H534-V543 PolarHBondContact O-N 3.43Å; M541-V543 HydrophobicContact CG-CG2 4.17Å; M541-V543 PolarHBondContact O-N 2.87Å; V543-Q564 CarbonylContact C-O 3.57Å; V543-Q564 WeakPolarHBondContact CA-O 3.39Å; V543-L566 HydrophobicContact CG1-CD1 3.59Å; V543-L566 HydrophobicContact CG1-CD2 3.4Å; V543-L566 VanDerWaalsContact CG1-CD2 3.4Å; V543-L566 HydrophobicContact CG1-CG 3.28Å
544V89.8Confident89.1Confident1 Ų138.8 Ų38.81%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-128.1149.3179.5-62.20000112.1R532 V533 F548 L553 Q564 T565 L566R532-V544 CarbonylContact O-C 3.54Å; R532-V544 WeakPolarHBondContact O-CA 3.48Å; V533-V544 HydrophobicContact CB-CG1 4.01Å; V533-V544 HydrophobicContact CG2-CG1 3.79Å; V544-F548 HydrophobicContact CB-CB 4Å; V544-F548 HydrophobicContact CB-CD1 4.43Å; V544-F548 HydrophobicContact CB-CD2 4.26Å; V544-F548 HydrophobicContact CB-CG 3.98Å; V544-F548 HydrophobicContact CG1-CD1 4.17Å; V544-F548 HydrophobicContact CG1-CD2 4.33Å; V544-F548 HydrophobicContact CG1-CE1 4.38Å; V544-F548 HydrophobicContact CG1-CG 4.12Å; V544-F548 HydrophobicContact CG2-CB 4.25Å; V544-L553 HydrophobicContact CB-CD2 4.23Å; V544-L553 HydrophobicContact CG1-CD2 3.75Å; V544-L553 HydrophobicContact CG2-CD1 4.26Å; V544-L553 HydrophobicContact CG2-CD2 3.74Å; V544-Q564 PolarHBondContact N-O 3.08Å; V544-T565 HydrophobicContact CG2-CG2 4.4Å; V544-T565 CarbonylContact O-C 3.48Å; V544-T565 WeakPolarHBondContact O-CA 3.07Å; V544-L566 PolarHBondContact O-N 3.31Å
545E86.9Confident89.3Confident4 Ų438.7 Ų38.72%0.01921%0.211CC..  trans-72.7161.8172.9-67.9-170.6152.100112.6P531 R532 F548 P569 R590P531-E545 HydrophobicContact CB-CB 4.21Å; R532-E545 HydrophobicContact CB-CG 4.15Å; R532-E545 PolarHBondContact N-OE2 3.35Å; R532-E545 IonicContact NH1-OE1 3.06Å; R532-E545 PolarHBondContact NH1-OE1 3.16Å; R532-E545 PolarHBondContact O-N 3.39Å; E545-F548 WeakPolarHBondContact O-CB 3.41Å; E545-F548 PolarHBondContact O-N 2.81Å; E545-P569 WeakPolarHBondContact OE1-CB 3.41Å; E545-R590 IonicContact OE1-NE 3.69Å; E545-R590 PolarHBondContact OE1-NE 3.24Å; E545-R590 IonicContact OE2-CZ 3.1Å; E545-R590 IonicContact OE2-NE 2.7Å; E545-R590 PolarHBondContact OE2-NE 2.69Å; E545-R590 IonicContact OE2-NH2 3.65Å; E545-R590 PolarHBondContact OE2-NH2 3.27Å
546Q86.6Confident89.5Confident121 Ų12138.7 Ų38.757%0.56521%0.211SC*.THydrogen-bonded Turntrans-61.2140.1171.1-64-162.6-17.300111F548 T565 L566 R567Q546-F548 VanDerWaalsContact C-N 3.34Å; Q546-T565 HydrophobicContact CG-CG2 4.19Å; Q546-L566 WeakPolarHBondContact CG-O 3.32Å; Q546-L566 PolarHBondContact NE2-O 3.11Å; Q546-R567 PolarHBondContact NE2-O 3.34Å
547G85.4Confident89.9Confident71 Ų7142.5 Ų42.573%0.73223%0.229SC*.THydrogen-bonded Turntrans87.6-0.2-178.800000114.4
548F86.8Confident90.4Very high15 Ų1549.8 Ų49.87%0.06626%0.263CS..  trans-58.8141.6171.1-156.7-89.5000111.1Y318 P531 V533 V544 E545 Q546 K550 V552 L553Y318-F548 HydrophobicContact CD1-CE2 4.45Å; Y318-F548 AromaticContact CD1-CZ 3.76Å; Y318-F548 HydrophobicContact CD1-CZ 3.76Å; Y318-F548 HydrophobicContact CD2-CZ 4.33Å; Y318-F548 AromaticContact CE1-CE2 3.93Å; Y318-F548 HydrophobicContact CE1-CE2 3.93Å; Y318-F548 AromaticContact CE1-CZ 3.62Å; Y318-F548 HydrophobicContact CE1-CZ 3.62Å; Y318-F548 HydrophobicContact CE2-CZ 4.23Å; Y318-F548 HydrophobicContact CG-CZ 4.1Å; Y318-F548 AromaticContact CZ-CZ 3.86Å; P531-F548 HydrophobicContact CB-CB 4.09Å; P531-F548 HydrophobicContact CB-CD2 3.92Å; P531-F548 HydrophobicContact CB-CG 4.48Å; P531-F548 WeakPolarHBondContact O-CD2 3.31Å; P531-F548 WeakPolarHBondContact O-CE2 3.24Å; V533-F548 HydrophobicContact CB-CE2 3.92Å; V533-F548 HydrophobicContact CB-CZ 4.06Å; V533-F548 HydrophobicContact CG1-CE2 4.32Å; V533-F548 HydrophobicContact CG1-CZ 4.35Å; V544-F548 HydrophobicContact CB-CB 4Å; V544-F548 HydrophobicContact CB-CD1 4.43Å; V544-F548 HydrophobicContact CB-CD2 4.26Å; V544-F548 HydrophobicContact CB-CG 3.98Å; V544-F548 HydrophobicContact CG1-CD1 4.17Å; V544-F548 HydrophobicContact CG1-CD2 4.33Å; V544-F548 HydrophobicContact CG1-CE1 4.38Å; V544-F548 HydrophobicContact CG1-CG 4.12Å; V544-F548 HydrophobicContact CG2-CB 4.25Å; E545-F548 WeakPolarHBondContact O-CB 3.41Å; E545-F548 PolarHBondContact O-N 2.81Å; Q546-F548 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.27Å; F548-V552 HydrophobicContact CE1-CB 4Å; F548-V552 HydrophobicContact CE1-CG1 3.66Å; F548-V552 HydrophobicContact CZ-CG1 4.29Å; F548-L553 HydrophobicContact CD1-CD1 4.49Å; F548-L553 HydrophobicContact CD1-CD2 3.55Å; F548-L553 HydrophobicContact CD1-CG 3.86Å; F548-L553 HydrophobicContact CE1-CD2 4.04Å; F548-L553 HydrophobicContact CG-CD2 4.41Å
549E87.4Confident91.2Very high79 Ų7951.2 Ų51.237%0.36927%0.269SS..  trans-64.4120.9-169.7-167.8-179.2155.800111.6K314 S551 V552 L553K314-E549 WeakPolarHBondContact CD-OE2 3.42Å; K314-E549 WeakPolarHBondContact CE-OE2 3.23Å; K314-E549 IonicContact NZ-OE2 3.22Å; K314-E549 PolarHBondContact NZ-OE2 3.04Å; E549-S551 VanDerWaalsContact C-N 3.32Å; E549-S551 VanDerWaalsContact CD-OG 3.24Å; E549-S551 WeakPolarHBondContact CG-OG 3.1Å; E549-S551 PolarHBondContact O-N 3.33Å; E549-S551 PolarHBondContact OE1-OG 3.29Å; E549-V552 HydrophobicContact CB-CB 4.39Å; E549-V552 HydrophobicContact CB-CG2 3.98Å; E549-V552 HydrophobicContact CG-CG2 4.3Å; E549-V552 WeakPolarHBondContact O-CB 3.48Å; E549-V552 PolarHBondContact O-N 2.88Å; E549-V552 VanDerWaalsContact O-N 3.08Å; E549-L553 PolarHBondContact O-N 3.13Å; E549-L553 VanDerWaalsContact O-N 3.16Å
550K92.7Very high91.9Very high157 Ų15754.5 Ų54.568%0.68328%0.284SS*.Hα-helixtrans-58.9-39.5-175.7-69.9-175.2177.1-176.90113.6F548 V552 L553 E554F548-K550 PolarHBondContact O-N 3.27Å; K550-V552 PolarHBondContact O-N 2.89Å; K550-L553 PolarHBondContact O-N 3.22Å; K550-L553 VanDerWaalsContact O-N 3.13Å; K550-E554 WeakPolarHBondContact O-CG 2.97Å; K550-E554 PolarHBondContact O-N 2.95Å
551S93.1Very high92.4Very high38 Ų3852.5 Ų52.527%0.26627%0.273SS..Hα-helixtrans-59.9-35.2178.564.40000111.9E549 G555E549-S551 VanDerWaalsContact C-N 3.32Å; E549-S551 VanDerWaalsContact CD-OG 3.24Å; E549-S551 WeakPolarHBondContact CG-OG 3.1Å; E549-S551 PolarHBondContact O-N 3.33Å; E549-S551 PolarHBondContact OE1-OG 3.29Å; S551-G555 PolarHBondContact O-N 3.43Å
552V91.3Very high92.6Very high0 Ų054.4 Ų54.40%029%0.287CS..Hα-helixtrans-73-41.8176.7-179.30000110K314 Y318 F548 E549 K550 G555 L556K314-V552 HydrophobicContact CB-CG2 4.27Å; K314-V552 HydrophobicContact CD-CG2 3.56Å; K314-V552 HydrophobicContact CG-CG2 3.67Å; Y318-V552 HydrophobicContact CD2-CG1 3.67Å; Y318-V552 HydrophobicContact CD2-CG2 4.38Å; Y318-V552 HydrophobicContact CG-CG1 3.94Å; F548-V552 HydrophobicContact CE1-CB 4Å; F548-V552 HydrophobicContact CE1-CG1 3.66Å; F548-V552 HydrophobicContact CZ-CG1 4.29Å; E549-V552 HydrophobicContact CB-CB 4.39Å; E549-V552 HydrophobicContact CB-CG2 3.98Å; E549-V552 HydrophobicContact CG-CG2 4.3Å; E549-V552 WeakPolarHBondContact O-CB 3.48Å; E549-V552 PolarHBondContact O-N 2.88Å; E549-V552 VanDerWaalsContact O-N 3.08Å; K550-V552 PolarHBondContact O-N 2.89Å; V552-G555 CarbonylContact O-C 3.59Å; V552-G555 PolarHBondContact O-N 3.36Å; V552-L556 HydrophobicContact CG1-CD1 4.17Å; V552-L556 HydrophobicContact CG1-CG 4.35Å; V552-L556 WeakPolarHBondContact O-CB 3.34Å; V552-L556 VanDerWaalsContact O-CG 3.27Å; V552-L556 WeakPolarHBondContact O-CG 3.16Å; V552-L556 PolarHBondContact O-N 2.78Å
553L93.8Very high92.6Very high20 Ų2055.9 Ų55.911%0.10530%0.296CS..Hα-helixtrans-61.4-49.9176.2-62.4177.1000112.1V544 F548 E549 K550 G555 L556 E557V544-L553 HydrophobicContact CB-CD2 4.23Å; V544-L553 HydrophobicContact CG1-CD2 3.75Å; V544-L553 HydrophobicContact CG2-CD1 4.26Å; V544-L553 HydrophobicContact CG2-CD2 3.74Å; F548-L553 HydrophobicContact CD1-CD1 4.49Å; F548-L553 HydrophobicContact CD1-CD2 3.55Å; F548-L553 HydrophobicContact CD1-CG 3.86Å; F548-L553 HydrophobicContact CE1-CD2 4.04Å; F548-L553 HydrophobicContact CG-CD2 4.41Å; E549-L553 PolarHBondContact O-N 3.13Å; E549-L553 VanDerWaalsContact O-N 3.16Å; K550-L553 PolarHBondContact O-N 3.22Å; K550-L553 VanDerWaalsContact O-N 3.13Å; L553-G555 PolarHBondContact O-N 2.99Å; L553-L556 PolarHBondContact O-N 2.86Å; L553-L556 VanDerWaalsContact O-N 3.11Å; L553-E557 WeakPolarHBondContact O-CG 3.15Å; L553-E557 PolarHBondContact O-N 3.49Å
554E95.5Very high92.7Very high109 Ų10959.7 Ų59.751%0.50931%0.313SS..Hα-helixtrans-58.7-40.1176-70.2168.8-170.200110.9K550 E557 Q558K550-E554 WeakPolarHBondContact O-CG 2.97Å; K550-E554 PolarHBondContact O-N 2.95Å; E554-E557 PolarHBondContact O-N 2.78Å; E554-Q558 VanDerWaalsContact O-CG 3.27Å; E554-Q558 WeakPolarHBondContact O-CG 3.15Å; E554-Q558 PolarHBondContact O-N 3.42Å
555G96.5Very high92.7Very high8 Ų863.2 Ų63.28%0.08234%0.335CS..Hα-helixtrans-67.9-35.5175.600000114T315 S551 V552 L553 K559T315-G555 VanDerWaalsContact CG2-CA 3.49Å; S551-G555 PolarHBondContact O-N 3.43Å; V552-G555 CarbonylContact O-C 3.59Å; V552-G555 PolarHBondContact O-N 3.36Å; L553-G555 PolarHBondContact O-N 2.99Å; G555-K559 WeakPolarHBondContact O-CG 3.29Å; G555-K559 PolarHBondContact O-N 3Å
556L96.3Very high92.5Very high0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-68.1-41.7173.5-74.1173.4000110.7H319 V552 L553 Q558 K559 N560 H561 T563H319-L556 HydrophobicContact CB-CD2 3.92Å; V552-L556 HydrophobicContact CG1-CD1 4.17Å; V552-L556 HydrophobicContact CG1-CG 4.35Å; V552-L556 WeakPolarHBondContact O-CB 3.34Å; V552-L556 VanDerWaalsContact O-CG 3.27Å; V552-L556 WeakPolarHBondContact O-CG 3.16Å; V552-L556 PolarHBondContact O-N 2.78Å; L553-L556 PolarHBondContact O-N 2.86Å; L553-L556 VanDerWaalsContact O-N 3.11Å; L556-Q558 VanDerWaalsContact C-N 3.35Å; L556-Q558 PolarHBondContact O-N 3.42Å; L556-K559 CarbonylContact O-C 3.33Å; L556-K559 WeakPolarHBondContact O-CA 3.14Å; L556-K559 WeakPolarHBondContact O-CB 3.47Å; L556-K559 PolarHBondContact O-N 2.85Å; L556-N560 PolarHBondContact O-N 2.81Å; L556-H561 HydrophobicContact CB-CB 4Å; L556-H561 VanDerWaalsContact O-CB 3.32Å; L556-H561 WeakPolarHBondContact O-CB 3.18Å; L556-H561 PolarHBondContact O-CD2 3.34Å; L556-H561 PolarHBondContact O-N 2.86Å; L556-T563 HydrophobicContact CB-CG2 4.3Å
557E96.3Very high92.1Very high101 Ų10169.5 Ų69.547%0.47236%0.355SS..Hα-helixtrans-62.2-40.5174.9-72172.8-172.200111.8L553 E554 K559 N560 T563L553-E557 WeakPolarHBondContact O-CG 3.15Å; L553-E557 PolarHBondContact O-N 3.49Å; E554-E557 PolarHBondContact O-N 2.78Å; E557-K559 PolarHBondContact O-N 3.49Å; E557-N560 WeakPolarHBondContact O-CA 3.16Å; E557-N560 PolarHBondContact O-N 2.85Å; E557-T563 HydrophobicContact CG-CG2 4.09Å; E557-T563 PolarHBondContact OE1-OG1 3.41Å
558Q97Very high91.3Very high157 Ų15769.6 Ų69.673%0.73434%0.342SS*.Hα-helixtrans-61.4-24.1171.8-7417120.600113E554 L556 N560E554-Q558 VanDerWaalsContact O-CG 3.27Å; E554-Q558 WeakPolarHBondContact O-CG 3.15Å; E554-Q558 PolarHBondContact O-N 3.42Å; L556-Q558 VanDerWaalsContact C-N 3.35Å; L556-Q558 PolarHBondContact O-N 3.42Å; Q558-N560 VanDerWaalsContact C-N 3.29Å
559K97.1Very high90.3Very high40 Ų4071.7 Ų71.717%0.17436%0.357CS..THydrogen-bonded Turntrans-92.118.2172.3-63.5-179.3-177.5-62.10112.6T315 H319 D365 D366 T367 T368 G555 L556 E557 H561T315-K559 HydrophobicContact CG2-CD 4.35Å; H319-K559 HydrophobicContact CB-CD 3.85Å; D365-K559 WeakPolarHBondContact O-CE 3.45Å; D365-K559 PolarHBondContact O-NZ 3.35Å; D366-K559 WeakPolarHBondContact O-CG 3.24Å; T367-K559 CarbonylContact C-O 3.39Å; T367-K559 WeakPolarHBondContact CA-O 2.95Å; T368-K559 PolarHBondContact N-O 3.35Å; G555-K559 WeakPolarHBondContact O-CG 3.29Å; G555-K559 PolarHBondContact O-N 3Å; L556-K559 CarbonylContact O-C 3.33Å; L556-K559 WeakPolarHBondContact O-CA 3.14Å; L556-K559 WeakPolarHBondContact O-CB 3.47Å; L556-K559 PolarHBondContact O-N 2.85Å; E557-K559 PolarHBondContact O-N 3.49Å; K559-H561 VanDerWaalsContact C-N 3.3Å; K559-H561 PolarHBondContact O-N 2.87Å
560N96.8Very high89.6Confident110 Ų11070.4 Ų70.459%0.58835%0.352SS*.THydrogen-bonded Turntrans67.515.2179.4-56.8-45.2000116T367 T368 L556 E557 Q558 V562T367-N560 PolarHBondContact OG1-ND2 3.32Å; T368-N560 HydrophobicContact CG2-CB 4.18Å; T368-N560 VanDerWaalsContact CG2-O 3.31Å; T368-N560 WeakPolarHBondContact CG2-O 3.47Å; L556-N560 PolarHBondContact O-N 2.81Å; E557-N560 WeakPolarHBondContact O-CA 3.16Å; E557-N560 PolarHBondContact O-N 2.85Å; Q558-N560 VanDerWaalsContact C-N 3.29Å; N560-V562 PolarHBondContact O-N 3.34Å
561H95.9Very high89.2Confident7 Ų763.1 Ų63.13%0.03232%0.321CS..  trans-70.2126.9171.4-73.7-95.4000110.2H319 V322 E323 T368 T542 L556 K559 T563H319-H561 AromaticContact CE1-NE2 3.49Å; H319-H561 PolarHBondContact CE1-NE2 3.16Å; H319-H561 AromaticContact ND1-CD2 3.7Å; H319-H561 AromaticContact ND1-NE2 2.98Å; H319-H561 PolarHBondContact ND1-NE2 2.85Å; V322-H561 VanDerWaalsContact CG1-CE1 3.45Å; V322-H561 WeakPolarHBondContact CG1-CE1 3.3Å; E323-H561 IonicContact OE1-CE1 2.77Å; E323-H561 PolarHBondContact OE1-CE1 3.26Å; E323-H561 IonicContact OE1-NE2 3.31Å; T368-H561 WeakPolarHBondContact CB-NE2 3.44Å; T542-H561 PolarHBondContact OG1-ND1 3.34Å; L556-H561 HydrophobicContact CB-CB 4Å; L556-H561 VanDerWaalsContact O-CB 3.32Å; L556-H561 WeakPolarHBondContact O-CB 3.18Å; L556-H561 PolarHBondContact O-CD2 3.34Å; L556-H561 PolarHBondContact O-N 2.86Å; K559-H561 VanDerWaalsContact C-N 3.3Å; K559-H561 PolarHBondContact O-N 2.87Å; H561-T563 HydrophobicContact CB-CG2 4.21Å; H561-T563 PolarHBondContact O-N 3.47Å
562V94.9Very high88.9Confident88 Ų8861.4 Ų61.453%0.53331%0.31SS..  trans-78.3114.1166.5-179.90000107.8T542 N560T542-V562 PolarHBondContact N-O 2.95Å; N560-V562 PolarHBondContact O-N 3.34Å
563T93.3Very high88.9Confident32 Ų3261.4 Ų61.420%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-106.5148.3-176.878.20000112.9T542 L556 E557 H561T542-T563 CarbonylContact O-C 3.53Å; T542-T563 VanDerWaalsContact O-CA 3.24Å; T542-T563 WeakPolarHBondContact O-CA 3.42Å; L556-T563 HydrophobicContact CB-CG2 4.3Å; E557-T563 HydrophobicContact CG-CG2 4.09Å; E557-T563 PolarHBondContact OE1-OG1 3.41Å; H561-T563 HydrophobicContact CB-CG2 4.21Å; H561-T563 PolarHBondContact O-N 3.47Å
564Q92.9Very high88.9Confident96 Ų9660.5 Ų60.545%0.44931%0.305SS..EExtended strand (participates in β ladder)trans-140.2127.8172.4-178.1179.560.800111M541 T542 V543 V544M541-Q564 HydrophobicContact CG-CB 3.93Å; M541-Q564 HydrophobicContact SD-CB 3.53Å; M541-Q564 VanDerWaalsContact SD-CB 3.53Å; M541-Q564 HydrophobicContact SD-CG 4.19Å; M541-Q564 PolarHBondContact SD-OE1 2.64Å; T542-Q564 PolarHBondContact O-N 3.39Å; V543-Q564 CarbonylContact C-O 3.57Å; V543-Q564 WeakPolarHBondContact CA-O 3.39Å; V544-Q564 PolarHBondContact N-O 3.08Å
565T90.2Very high88.8Confident74 Ų7455.3 Ų55.345%0.45428%0.28SS..EExtended strand (participates in β ladder)trans-86.1127.6173.2-49.10000111.4V544 Q546V544-T565 HydrophobicContact CG2-CG2 4.4Å; V544-T565 CarbonylContact O-C 3.48Å; V544-T565 WeakPolarHBondContact O-CA 3.07Å; Q546-T565 HydrophobicContact CG-CG2 4.19Å
566L83.8Confident88.6Confident31 Ų3154.9 Ų54.916%0.16228%0.276CS..  trans-67.9147.2175.3-68.5173.9000111.8V543 V544 Q546 D570V543-L566 HydrophobicContact CG1-CD1 3.59Å; V543-L566 HydrophobicContact CG1-CD2 3.4Å; V543-L566 VanDerWaalsContact CG1-CD2 3.4Å; V543-L566 HydrophobicContact CG1-CG 3.28Å; V544-L566 PolarHBondContact O-N 3.31Å; Q546-L566 WeakPolarHBondContact CG-O 3.32Å; Q546-L566 PolarHBondContact NE2-O 3.11Å; L566-D570 HydrophobicContact CD1-CB 4.4Å; L566-D570 VanDerWaalsContact CD1-OD1 3.27Å; L566-D570 WeakPolarHBondContact CD1-OD1 3.44Å; L566-D570 VanDerWaalsContact CD1-OD2 3.29Å; L566-D570 WeakPolarHBondContact CD1-OD2 3.46Å
567R76.6Confident88.4Confident226 Ų22654.9 Ų54.985%0.85328%0.276SS*.SBendtrans-79.7-30.6173.2-66.8-175.3-179.8-178.61.1112.6Q546Q546-R567 PolarHBondContact NE2-O 3.34Å
568T68.8Low87.9Confident74 Ų7452 Ų5245%0.45426%0.261SS..SBendtrans-138.3136.9178.248.60000108.1D570T568-D570 PolarHBondContact O-N 3.3Å
569P66.1Low87.3Confident59 Ų5947.4 Ų47.438%0.38324%0.24SC..  trans-54139.6169-2333.7000110.6E545 R590E545-P569 WeakPolarHBondContact OE1-CB 3.41Å; P569-R590 HydrophobicContact CB-CB 4.4Å; P569-R590 HydrophobicContact CB-CG 3.9Å; P569-R590 HydrophobicContact CG-CG 4.01Å
570D72.8Confident86.5Confident51 Ų5147.3 Ų47.327%0.27325%0.25SS..  trans-129-0.4-17162.6-4.2000113.7G478 K481 L566 T568G478-D570 VanDerWaalsContact CA-O 3.22Å; G478-D570 WeakPolarHBondContact CA-O 3.33Å; K481-D570 WeakPolarHBondContact CD-OD1 3.22Å; K481-D570 WeakPolarHBondContact CD-OD2 3.43Å; K481-D570 WeakPolarHBondContact CE-OD2 3.4Å; K481-D570 IonicContact NZ-OD2 3.79Å; K481-D570 PolarHBondContact NZ-OD2 2.68Å; L566-D570 HydrophobicContact CD1-CB 4.4Å; L566-D570 VanDerWaalsContact CD1-OD1 3.27Å; L566-D570 WeakPolarHBondContact CD1-OD1 3.44Å; L566-D570 VanDerWaalsContact CD1-OD2 3.29Å; L566-D570 WeakPolarHBondContact CD1-OD2 3.46Å; T568-D570 PolarHBondContact O-N 3.3Å
571S84.1Confident86Confident4 Ų449 Ų493%0.02826%0.255CS..  trans-123.2153.3167.356.90000110.8S477 R532S477-S571 CarbonylContact O-C 3.58Å; S477-S571 WeakPolarHBondContact O-CA 3.37Å; S477-S571 WeakPolarHBondContact O-CB 3.45Å; R532-S571 WeakPolarHBondContact CD-OG 3.38Å; R532-S571 VanDerWaalsContact NH1-C 3.35Å; R532-S571 PolarHBondContact NH1-O 3.04Å; R532-S571 PolarHBondContact NH1-OG 2.9Å
572V87.4Confident85.6Confident3 Ų355 Ų552%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-139.3150.7170.9-69.60000110.4D49 A476 S477 D588 R590 K591D49-V572 WeakPolarHBondContact OD2-CG2 3.22Å; A476-V572 CarbonylContact C-O 3.53Å; A476-V572 WeakPolarHBondContact CA-O 3.35Å; A476-V572 WeakPolarHBondContact CB-O 3.28Å; S477-V572 PolarHBondContact N-O 3.37Å; S477-V572 PolarHBondContact O-N 3.34Å; S477-V572 WeakPolarHBondContact OG-CG2 3.35Å; V572-D588 WeakPolarHBondContact CA-OD2 3.42Å; V572-D588 HydrophobicContact CB-CB 3.71Å; V572-D588 HydrophobicContact CG1-CB 3.91Å; V572-R590 HydrophobicContact CG1-CB 3.75Å; V572-K591 HydrophobicContact CG1-CB 4.19Å; V572-K591 HydrophobicContact CG1-CD 4.34Å; V572-K591 HydrophobicContact CG1-CG 3.76Å; V572-K591 HydrophobicContact CG2-CD 3.7Å; V572-K591 HydrophobicContact CG2-CG 4.04Å
573V90.9Very high85.4Confident0 Ų050.8 Ų50.80%025%0.252CS..EExtended strand (participates in β ladder)trans-122.4137.7-177.9179.30000109.7V474 G475 A476 A485 V489 V528 D588V474-V573 HydrophobicContact CG2-CG1 3.9Å; G475-V573 WeakPolarHBondContact O-CA 3.12Å; G475-V573 WeakPolarHBondContact O-CG1 3.25Å; A476-V573 HydrophobicContact CB-CG2 3.92Å; A485-V573 HydrophobicContact CB-CG2 4.12Å; V489-V573 HydrophobicContact CB-CG1 3.85Å; V489-V573 HydrophobicContact CB-CG2 4.44Å; V489-V573 HydrophobicContact CG1-CG1 3.64Å; V489-V573 HydrophobicContact CG2-CB 4.24Å; V489-V573 HydrophobicContact CG2-CG1 4.03Å; V489-V573 HydrophobicContact CG2-CG2 3.88Å; V528-V573 HydrophobicContact CG2-CG1 4.49Å; V573-D588 WeakPolarHBondContact O-CB 3.33Å; V573-D588 PolarHBondContact O-N 2.98Å
574Q94.6Very high85.2Confident0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-114.2136.6167.1-39-57.1-41.200108A47 A48 D49 H388 S390 V474 G475 S587A47-Q574 HydrophobicContact CB-CB 3.91Å; A47-Q574 WeakPolarHBondContact O-CB 3.4Å; A48-Q574 VanDerWaalsContact C-OE1 3.25Å; A48-Q574 PolarHBondContact O-OE1 3.33Å; A48-Q574 VanDerWaalsContact O-OE1 3.07Å; D49-Q574 WeakPolarHBondContact OD1-CG 3.34Å; D49-Q574 PolarHBondContact OD1-NE2 3.22Å; H388-Q574 HydrophobicContact CB-CG 4.28Å; H388-Q574 WeakPolarHBondContact O-CG 3.21Å; S390-Q574 PolarHBondContact OG-O 3.42Å; V474-Q574 WeakPolarHBondContact CA-O 3.13Å; G475-Q574 PolarHBondContact N-O 3.06Å; G475-Q574 PolarHBondContact O-N 2.89Å; G475-Q574 VanDerWaalsContact O-N 3.07Å; Q574-S587 PolarHBondContact OE1-OG 3.48Å
575A92.9Very high85.1Confident0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-146140.8-177.600000111.7M472 V473 V474 L524 V528 A585 E586M472-A575 HydrophobicContact CE-CB 3.72Å; V473-A575 CarbonylContact O-C 3.57Å; V473-A575 VanDerWaalsContact O-CA 3.3Å; V473-A575 WeakPolarHBondContact O-CA 3.18Å; V474-A575 HydrophobicContact CG2-CB 4.3Å; L524-A575 HydrophobicContact CD1-CB 3.82Å; L524-A575 HydrophobicContact CD2-CB 4.34Å; L524-A575 HydrophobicContact CG-CB 4.5Å; V528-A575 HydrophobicContact CG2-CB 4.5Å; A575-A585 CarbonylContact O-C 3.47Å; A575-A585 VanDerWaalsContact O-CA 3.3Å; A575-A585 WeakPolarHBondContact O-CA 3.25Å; A575-E586 PolarHBondContact N-O 2.78Å; A575-E586 PolarHBondContact O-N 2.89Å
576V93.3Very high85.1Confident0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-127.2129167.7-174.80000108.1A45 A47 S390 I392 M472 V473 L583 A585A45-V576 HydrophobicContact CB-CG1 3.71Å; A45-V576 HydrophobicContact CB-CG2 4.42Å; A47-V576 HydrophobicContact CB-CG2 3.97Å; S390-V576 WeakPolarHBondContact O-CG2 3.4Å; I392-V576 HydrophobicContact CB-CG1 4.01Å; I392-V576 HydrophobicContact CD1-CB 4.19Å; I392-V576 HydrophobicContact CD1-CG1 3.72Å; I392-V576 HydrophobicContact CG1-CB 4.12Å; I392-V576 HydrophobicContact CG1-CG1 3.76Å; M472-V576 CarbonylContact C-O 3.54Å; M472-V576 VanDerWaalsContact CA-O 3.27Å; M472-V576 WeakPolarHBondContact CA-O 3.49Å; V473-V576 PolarHBondContact N-O 2.79Å; V473-V576 PolarHBondContact O-N 3.46Å; V576-L583 HydrophobicContact CG1-CB 4.42Å; V576-A585 HydrophobicContact CB-CB 4.35Å; V576-A585 HydrophobicContact CG1-CB 4.22Å; V576-A585 HydrophobicContact CG2-CB 3.88Å
577V90.3Very high85.5Confident0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-129.2134.4-171.4170.60000110.1K471 M472 T492 L524 Q579 L583 C584K471-V577 CarbonylContact O-C 3.06Å; K471-V577 WeakPolarHBondContact O-CA 3.33Å; M472-V577 HydrophobicContact CB-CG2 4.15Å; M472-V577 HydrophobicContact CE-CG2 4.15Å; M472-V577 HydrophobicContact CG-CG2 3.73Å; M472-V577 HydrophobicContact SD-CG2 3.87Å; T492-V577 VanDerWaalsContact CB-CG1 3.47Å; T492-V577 HydrophobicContact CG2-CB 3.97Å; T492-V577 HydrophobicContact CG2-CG1 3.57Å; T492-V577 HydrophobicContact CG2-CG2 3.26Å; T492-V577 WeakPolarHBondContact OG1-CG1 3.34Å; L524-V577 HydrophobicContact CD1-CG2 3.79Å; L524-V577 HydrophobicContact CD2-CB 4.06Å; L524-V577 HydrophobicContact CD2-CG2 3.7Å; L524-V577 HydrophobicContact CG-CG2 4.3Å; V577-Q579 HydrophobicContact CG1-CG 4.02Å; V577-L583 CarbonylContact O-C 3.59Å; V577-L583 WeakPolarHBondContact O-CA 3.4Å; V577-C584 PolarHBondContact N-O 3.45Å; V577-C584 PolarHBondContact O-N 2.91Å
578R87.1Confident86.1Confident39 Ų3929.7 Ų29.715%0.14716%0.155CC..EExtended strand (participates in β ladder)trans-82.7125.6170.3-171.9170.5-61.3-76.91.2111.2V470 K471 G580 L583V470-R578 WeakPolarHBondContact O-CB 3.44Å; V470-R578 PolarHBondContact O-NE 2.97Å; V470-R578 VanDerWaalsContact O-NE 3.13Å; K471-R578 PolarHBondContact NZ-O 3.32Å; K471-R578 PolarHBondContact O-N 3.27Å; R578-G580 VanDerWaalsContact CG-O 3.32Å; R578-G580 WeakPolarHBondContact CG-O 3.39Å; R578-L583 HydrophobicContact CB-CD2 4.07Å; R578-L583 HydrophobicContact CG-CD2 4.3Å
579Q82.9Confident86.9Confident61 Ų6129.7 Ų29.729%0.28516%0.156SC..EExtended strand (participates in β ladder)trans-125.997.5173.8-65.3-170.22.900109.3F40 V577 E581 R582 C584F40-Q579 VanDerWaalsContact CE1-OE1 3.25Å; V577-Q579 HydrophobicContact CG1-CG 4.02Å; Q579-E581 PolarHBondContact O-N 2.69Å; Q579-R582 PolarHBondContact N-O 3.3Å; Q579-R582 PolarHBondContact O-N 2.91Å; Q579-R582 VanDerWaalsContact O-N 3.1Å; Q579-C584 HydrophobicContact CG-CB 4.45Å
580G82.1Confident87.7Confident39 Ų3929.8 Ų29.840%0.40215%0.149SC..THydrogen-bonded Turntrans59.5-125.6-168.100000110.4R578 R582R578-G580 VanDerWaalsContact CG-O 3.32Å; R578-G580 WeakPolarHBondContact CG-O 3.39Å; G580-R582 VanDerWaalsContact C-N 3.35Å
581E85.1Confident88.1Confident146 Ų14628.7 Ų28.768%0.68214%0.142SC*.THydrogen-bonded Turntrans-86.5-3.7178.6-59.2-52.3120.700113.6R469 Q579R469-E581 IonicContact NH1-OE1 3.11Å; Q579-E581 PolarHBondContact O-N 2.69Å
582R88.6Confident88Confident131 Ų13130.7 Ų30.749%0.49416%0.163SC..EExtended strand (participates in β ladder)trans-106.2161.3-178.6-61.1-179.473.9-179.85.3111.3F40 Y41 Q579 G580F40-R582 VanDerWaalsContact CB-CZ 3.5Å; F40-R582 HydrophobicContact CD1-CB 4.32Å; Y41-R582 WeakPolarHBondContact O-CA 3.32Å; Q579-R582 PolarHBondContact N-O 3.3Å; Q579-R582 PolarHBondContact O-N 2.91Å; Q579-R582 VanDerWaalsContact O-N 3.1Å; G580-R582 VanDerWaalsContact C-N 3.35Å
583L89.4Confident88Confident1 Ų130.9 Ų30.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-109.2127.5171.6-59.4178000109.2F40 Y41 A45 I392 V576 V577 R578F40-L583 CarbonylContact C-O 3.54Å; F40-L583 VanDerWaalsContact CA-O 3.26Å; F40-L583 WeakPolarHBondContact CA-O 3.27Å; Y41-L583 PolarHBondContact N-O 2.86Å; Y41-L583 PolarHBondContact O-N 3.47Å; A45-L583 HydrophobicContact CB-CB 4.1Å; A45-L583 HydrophobicContact CB-CD1 4.04Å; I392-L583 HydrophobicContact CB-CD1 4.01Å; I392-L583 HydrophobicContact CB-CD2 4.47Å; I392-L583 HydrophobicContact CD1-CD2 4.09Å; I392-L583 HydrophobicContact CG2-CD1 3.87Å; I392-L583 HydrophobicContact CG2-CD2 4.07Å; V576-L583 HydrophobicContact CG1-CB 4.42Å; V577-L583 CarbonylContact O-C 3.59Å; V577-L583 WeakPolarHBondContact O-CA 3.4Å; R578-L583 HydrophobicContact CB-CD2 4.07Å; R578-L583 HydrophobicContact CG-CD2 4.3Å
584C89.8Confident88.1Confident4 Ų434.8 Ų34.83%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-99.1127.7164.6-177.80000107.1Y39 F40 L524 V577 Q579Y39-C584 WeakPolarHBondContact O-CA 3.37Å; F40-C584 HydrophobicContact CD1-CB 3.99Å; F40-C584 HydrophobicContact CE1-CB 3.77Å; F40-C584 HydrophobicContact CZ-CB 4.38Å; L524-C584 HydrophobicContact CD2-CB 4.33Å; L524-C584 WeakPolarHBondContact CD2-O 3.33Å; V577-C584 PolarHBondContact N-O 3.45Å; V577-C584 PolarHBondContact O-N 2.91Å; Q579-C584 HydrophobicContact CG-CB 4.45Å
585A90.6Very high88.2Confident0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-124.3148.5174.800000109.9Y39 Y41 A45 A575 V576 P595Y39-A585 VanDerWaalsContact CB-O 3.22Å; Y39-A585 WeakPolarHBondContact CB-O 3.28Å; Y39-A585 PolarHBondContact O-N 2.95Å; Y41-A585 HydrophobicContact CD2-CB 4.3Å; Y41-A585 HydrophobicContact CE2-CB 3.99Å; A45-A585 HydrophobicContact CB-CB 3.9Å; A575-A585 CarbonylContact O-C 3.47Å; A575-A585 VanDerWaalsContact O-CA 3.3Å; A575-A585 WeakPolarHBondContact O-CA 3.25Å; V576-A585 HydrophobicContact CB-CB 4.35Å; V576-A585 HydrophobicContact CG1-CB 4.22Å; V576-A585 HydrophobicContact CG2-CB 3.88Å; A585-P595 HydrophobicContact CB-CB 3.63Å; A585-P595 HydrophobicContact CB-CG 4.31Å; A585-P595 WeakPolarHBondContact O-CG 3.5Å
586E90.4Very high88.4Confident8 Ų835 Ų354%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-140.9136.9176.4-71.8-64.4159.600109.5L524 K525 V528 A575L524-E586 HydrophobicContact CB-CG 4.02Å; L524-E586 HydrophobicContact CD2-CB 3.96Å; L524-E586 HydrophobicContact CD2-CG 3.77Å; L524-E586 HydrophobicContact CG-CB 3.85Å; L524-E586 HydrophobicContact CG-CG 3.59Å; K525-E586 HydrophobicContact CB-CG 4.16Å; V528-E586 HydrophobicContact CB-CB 4.34Å; V528-E586 HydrophobicContact CG2-CB 3.87Å; A575-E586 PolarHBondContact N-O 2.78Å; A575-E586 PolarHBondContact O-N 2.89Å
587S91.4Very high88.5Confident3 Ų335.6 Ų35.62%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-118.1130171.8-75.20000108.8A47 A48 Q574 P589A47-S587 WeakPolarHBondContact CA-OG 3.28Å; A47-S587 WeakPolarHBondContact CB-OG 3.4Å; A48-S587 PolarHBondContact N-OG 3.09Å; A48-S587 PolarHBondContact O-OG 3.22Å; Q574-S587 PolarHBondContact OE1-OG 3.48Å; S587-P589 VanDerWaalsContact O-CD 3.32Å; S587-P589 WeakPolarHBondContact O-CD 3.27Å; S587-P589 VanDerWaalsContact O-N 3.16Å
588D88.9Confident88.7Confident0 Ų038.8 Ų38.80%020%0.201CC..  trans-63.6119.5-178.2-169.4-25.1000111.3V528 R532 V572 V573 R590V528-D588 HydrophobicContact CG1-CB 3.72Å; R532-D588 IonicContact CZ-OD2 3.8Å; R532-D588 VanDerWaalsContact CZ-OD2 3.3Å; R532-D588 IonicContact NH1-OD2 3.51Å; R532-D588 PolarHBondContact NH1-OD2 3.45Å; R532-D588 IonicContact NH2-OD2 2.79Å; R532-D588 PolarHBondContact NH2-OD2 3.04Å; V572-D588 WeakPolarHBondContact CA-OD2 3.42Å; V572-D588 HydrophobicContact CB-CB 3.71Å; V572-D588 HydrophobicContact CG1-CB 3.91Å; V573-D588 WeakPolarHBondContact O-CB 3.33Å; V573-D588 PolarHBondContact O-N 2.98Å; D588-R590 PolarHBondContact O-N 3.32Å; D588-R590 VanDerWaalsContact O-N 3.14Å; D588-R590 VanDerWaalsContact OD1-CB 3.3Å; D588-R590 WeakPolarHBondContact OD1-CB 3.33Å; D588-R590 VanDerWaalsContact OD1-CD 3.26Å; D588-R590 WeakPolarHBondContact OD1-CD 3.48Å; D588-R590 WeakPolarHBondContact OD1-CG 3.35Å; D588-R590 IonicContact OD1-CZ 2.59Å; D588-R590 PolarHBondContact OD1-N 3.04Å; D588-R590 IonicContact OD1-NH1 2.74Å; D588-R590 PolarHBondContact OD1-NH1 3.45Å; D588-R590 WeakPolarHBondContact OD2-CD 3.39Å; D588-R590 IonicContact OD2-CZ 3.04Å; D588-R590 IonicContact OD2-NH1 3.74Å; D588-R590 PolarHBondContact OD2-NH1 3.02Å
589P86.1Confident88.8Confident74 Ų7438.8 Ų38.848%0.48120%0.203SC..G310 helixtrans-70.5-10.1-175.929.6-37000113.2M529 S587 K591 G592M529-P589 HydrophobicContact SD-CG 4.49Å; S587-P589 VanDerWaalsContact O-CD 3.32Å; S587-P589 WeakPolarHBondContact O-CD 3.27Å; S587-P589 VanDerWaalsContact O-N 3.16Å; P589-K591 PolarHBondContact O-N 3.04Å; P589-G592 PolarHBondContact O-N 3.45Å
590R83.2Confident89.1Confident62 Ų6237.6 Ų37.623%0.23420%0.199CC..G310 helixtrans-57.5-29.9179.3-70.8163.4176.882.7-4.5113.1M529 E545 P569 V572 D588M529-R590 PolarHBondContact O-NH2 3.34Å; E545-R590 IonicContact OE1-NE 3.69Å; E545-R590 PolarHBondContact OE1-NE 3.24Å; E545-R590 IonicContact OE2-CZ 3.1Å; E545-R590 IonicContact OE2-NE 2.7Å; E545-R590 PolarHBondContact OE2-NE 2.69Å; E545-R590 IonicContact OE2-NH2 3.65Å; E545-R590 PolarHBondContact OE2-NH2 3.27Å; P569-R590 HydrophobicContact CB-CB 4.4Å; P569-R590 HydrophobicContact CB-CG 3.9Å; P569-R590 HydrophobicContact CG-CG 4.01Å; V572-R590 HydrophobicContact CG1-CB 3.75Å; D588-R590 PolarHBondContact O-N 3.32Å; D588-R590 VanDerWaalsContact O-N 3.14Å; D588-R590 VanDerWaalsContact OD1-CB 3.3Å; D588-R590 WeakPolarHBondContact OD1-CB 3.33Å; D588-R590 VanDerWaalsContact OD1-CD 3.26Å; D588-R590 WeakPolarHBondContact OD1-CD 3.48Å; D588-R590 WeakPolarHBondContact OD1-CG 3.35Å; D588-R590 IonicContact OD1-CZ 2.59Å; D588-R590 PolarHBondContact OD1-N 3.04Å; D588-R590 IonicContact OD1-NH1 2.74Å; D588-R590 PolarHBondContact OD1-NH1 3.45Å; D588-R590 WeakPolarHBondContact OD2-CD 3.39Å; D588-R590 IonicContact OD2-CZ 3.04Å; D588-R590 IonicContact OD2-NH1 3.74Å; D588-R590 PolarHBondContact OD2-NH1 3.02Å
591K81.9Confident89.5Confident28 Ų2837.5 Ų37.512%0.12219%0.188CC..G310 helixtrans-99.33.6171.6-78.4-164.7-165.1169.10114.6D49 A177 T386 S477 V572 P589D49-K591 HydrophobicContact CB-CD 4.41Å; D49-K591 WeakPolarHBondContact OD2-CD 3.07Å; D49-K591 IonicContact OD2-NZ 3.54Å; D49-K591 PolarHBondContact OD2-NZ 2.85Å; A177-K591 HydrophobicContact CB-CB 4.16Å; A177-K591 HydrophobicContact CB-CD 4.47Å; A177-K591 HydrophobicContact CB-CG 3.96Å; T386-K591 PolarHBondContact O-NZ 3.44Å; S477-K591 PolarHBondContact OG-NZ 3.03Å; V572-K591 HydrophobicContact CG1-CB 4.19Å; V572-K591 HydrophobicContact CG1-CD 4.34Å; V572-K591 HydrophobicContact CG1-CG 3.76Å; V572-K591 HydrophobicContact CG2-CD 3.7Å; V572-K591 HydrophobicContact CG2-CG 4.04Å; P589-K591 PolarHBondContact O-N 3.04Å
592G81.2Confident89.8Confident45 Ų4531.1 Ų31.146%0.46416%0.159SC..THydrogen-bonded Turntrans8218.6-174.100000113.8G51 P589G51-G592 PolarHBondContact N-O 2.65Å; P589-G592 PolarHBondContact O-N 3.45Å
593G87.8Confident89.9Confident7 Ų724.9 Ų24.97%0.07214%0.138CC..  trans-69.4147.5172.300000112.1D49D49-G593 PolarHBondContact O-N 3.28Å
594Y93.8Very high89.9Confident82 Ų8226.5 Ų26.532%0.32215%0.147SC..  trans-147.9146.7160.757.8-97000108G51 S54 E55G51-Y594 VanDerWaalsContact C-CZ 3.42Å; G51-Y594 VanDerWaalsContact CA-O 3.27Å; G51-Y594 WeakPolarHBondContact CA-O 3.29Å; G51-Y594 WeakPolarHBondContact O-CE2 3.31Å; S54-Y594 WeakPolarHBondContact CB-O 3.44Å; S54-Y594 PolarHBondContact OG-O 3.39Å; E55-Y594 HydrophobicContact CG-CE2 4.1Å; E55-Y594 WeakPolarHBondContact OE1-CE2 3.48Å; E55-Y594 PolarHBondContact OE1-OH 2.92Å
595P95.4Very high89.9Confident3 Ų328.1 Ų28.12%0.01916%0.155CC..  trans-77.9161.8-18034.7-37.9000111.2Y39 Y41 V46 A47 A585Y39-P595 HydrophobicContact CD1-CG 3.8Å; Y39-P595 HydrophobicContact CD2-CG 3.35Å; Y39-P595 HydrophobicContact CE1-CG 4.22Å; Y39-P595 HydrophobicContact CE2-CG 3.83Å; Y39-P595 HydrophobicContact CG-CG 3.33Å; Y41-P595 HydrophobicContact CE2-CB 4.38Å; Y41-P595 PolarHBondContact OH-O 3.31Å; Y41-P595 VanDerWaalsContact OH-O 3.07Å; V46-P595 CarbonylContact O-C 3.59Å; V46-P595 VanDerWaalsContact O-CA 3.27Å; V46-P595 WeakPolarHBondContact O-CA 3.35Å; A47-P595 HydrophobicContact CB-CB 4.29Å; A585-P595 HydrophobicContact CB-CB 3.63Å; A585-P595 HydrophobicContact CB-CG 4.31Å; A585-P595 WeakPolarHBondContact O-CG 3.5Å
596A97.3Very high89.8Confident3 Ų330.2 Ų30.23%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-142.7142.3173.800000111Y41 V46 E55 R58Y41-A596 WeakPolarHBondContact OH-CA 3.29Å; V46-A596 PolarHBondContact N-O 3.36Å; V46-A596 PolarHBondContact O-N 2.68Å; E55-A596 HydrophobicContact CG-CB 4.23Å; R58-A596 HydrophobicContact CB-CB 4Å
597G95.9Very high89.8Confident11 Ų1132.1 Ų32.111%0.11318%0.178CC..EExtended strand (participates in β ladder)trans-165.4-172.8-177.700000111.4Y41 A44 R58Y41-G597 WeakPolarHBondContact CD1-O 3.33Å; A44-G597 CarbonylContact O-C 3.52Å; A44-G597 WeakPolarHBondContact O-CA 3.45Å; R58-G597 VanDerWaalsContact CD-O 3.27Å; R58-G597 WeakPolarHBondContact CD-O 3.46Å
598Y94.6Very high89.6Confident67 Ų6734.7 Ų34.726%0.26319%0.192SC..  trans-148.20174.956.5-83.3000112S42 K43 A44 R58 L61 K62S42-Y598 PolarHBondContact N-O 3.47Å; S42-Y598 PolarHBondContact N-OXT 2.93Å; S42-Y598 PolarHBondContact OG-O 2.82Å; S42-Y598 PolarHBondContact OG-OXT 3.44Å; K43-Y598 HydrophobicContact CB-CD2 4.04Å; K43-Y598 HydrophobicContact CB-CE2 3.97Å; K43-Y598 HydrophobicContact CD-CD2 3.77Å; K43-Y598 HydrophobicContact CD-CE2 3.85Å; K43-Y598 PolarHBondContact N-O 3.41Å; A44-Y598 HydrophobicContact CB-CD1 4.5Å; A44-Y598 HydrophobicContact CB-CE1 3.93Å; A44-Y598 PolarHBondContact N-O 2.73Å; A44-Y598 PolarHBondContact O-N 3Å; A44-Y598 VanDerWaalsContact O-N 3.08Å; R58-Y598 HydrophobicContact CG-CD1 3.83Å; R58-Y598 HydrophobicContact CG-CE1 4.39Å; L61-Y598 VanDerWaalsContact C-OH 3.31Å; L61-Y598 HydrophobicContact CB-CE1 3.84Å; L61-Y598 PolarHBondContact O-OH 3.1Å; L61-Y598 VanDerWaalsContact O-OH 3.12Å; K62-Y598 HydrophobicContact CB-CE1 4.42Å; K62-Y598 HydrophobicContact CD-CD1 4.22Å; K62-Y598 HydrophobicContact CG-CD1 3.54Å; K62-Y598 HydrophobicContact CG-CD2 4.49Å; K62-Y598 HydrophobicContact CG-CE1 3.45Å; K62-Y598 VanDerWaalsContact CG-CE1 3.45Å; K62-Y598 HydrophobicContact CG-CE2 4.42Å; K62-Y598 HydrophobicContact CG-CG 4.08Å

Retrieved 598 of 598 residues in 1749.9 ms (Link to these results)

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