A0A077ZES2_TRITR Loading...

HHH 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZES2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M55.2Low63.6Low134 Ų13470.9 Ų70.966%0.6638%0.381SS*.  0-46.60-156.1167.2-74.100112R3 L4 F38 R72M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.17Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-F38 HydrophobicContact CG-CE1 4.15Å; M1-F38 HydrophobicContact SD-CE1 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.33Å; M1-R72 PolarHBondContact SD-NH1 3.32Å
2F60.4Low63.5Low65 Ų6575.9 Ų75.929%0.28540%0.397SS..Hα-helixtrans-56.7-34.1177.7-167.2-101.3000114.8L4 I5 A6 D27 F28F2-L4 PolarHBondContact O-N 3.41Å; F2-L4 VanDerWaalsContact O-N 3.17Å; F2-I5 WeakPolarHBondContact O-CB 3.46Å; F2-I5 PolarHBondContact O-N 2.87Å; F2-I5 VanDerWaalsContact O-N 3.11Å; F2-A6 HydrophobicContact CD1-CB 4.38Å; F2-A6 HydrophobicContact CE1-CB 4.15Å; F2-A6 WeakPolarHBondContact O-CB 2.99Å; F2-A6 PolarHBondContact O-N 3.07Å; F2-D27 HydrophobicContact CD2-CB 3.85Å; F2-D27 WeakPolarHBondContact CE1-O 3.22Å; F2-D27 HydrophobicContact CE2-CB 3.75Å; F2-D27 WeakPolarHBondContact CE2-O 3.45Å; F2-D27 WeakPolarHBondContact CZ-O 3.22Å; F2-F28 HydrophobicContact CE2-CB 4.18Å; F2-F28 HydrophobicContact CE2-CD1 4.32Å; F2-F28 HydrophobicContact CZ-CB 3.99Å
3R62.3Low63.7Low221 Ų22174.3 Ų74.383%0.83439%0.385SS*.Hα-helixtrans-54.6-33.3173.5-79.1-172.4164.8162.3-2.5114.3M1 S7M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 3.17Å; R3-S7 VanDerWaalsContact O-CB 3.22Å; R3-S7 WeakPolarHBondContact O-CB 3.08Å; R3-S7 PolarHBondContact O-N 3.23Å
4L61.1Low63.8Low88 Ų8883.5 Ų83.546%0.46142%0.424SS..Hα-helixtrans-71.7-46.3177.5-168.676000110.5M1 F2 A6 S7 V8 A102M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.47Å; F2-L4 PolarHBondContact O-N 3.41Å; F2-L4 VanDerWaalsContact O-N 3.17Å; L4-A6 VanDerWaalsContact C-N 3.27Å; L4-A6 PolarHBondContact O-N 3.06Å; L4-S7 PolarHBondContact O-N 2.85Å; L4-V8 VanDerWaalsContact O-CG2 3.32Å; L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 3.2Å; L4-A102 HydrophobicContact CD2-CB 4.06Å
5I63.1Low63.9Low10 Ų1080.6 Ų80.65%0.05142%0.424CS..Hα-helixtrans-57.7-45.7175.6-62175.8000109.7F2 V8 A9 F38 A102 A105 A106F2-I5 WeakPolarHBondContact O-CB 3.46Å; F2-I5 PolarHBondContact O-N 2.87Å; F2-I5 VanDerWaalsContact O-N 3.11Å; I5-V8 PolarHBondContact O-N 3.22Å; I5-A9 VanDerWaalsContact O-CB 3.27Å; I5-A9 WeakPolarHBondContact O-CB 3.38Å; I5-A9 PolarHBondContact O-N 3.45Å; I5-F38 HydrophobicContact CD1-CD1 4.08Å; I5-F38 HydrophobicContact CD1-CD2 3.69Å; I5-F38 HydrophobicContact CD1-CE1 4.21Å; I5-F38 HydrophobicContact CD1-CE2 3.82Å; I5-F38 HydrophobicContact CD1-CG 3.81Å; I5-F38 HydrophobicContact CD1-CZ 4.07Å; I5-A102 HydrophobicContact CG1-CB 4Å; I5-A105 HydrophobicContact CD1-CB 4.13Å; I5-A106 HydrophobicContact CG2-CB 3.95Å
6A66.8Low64.4Low5 Ų584.4 Ų84.44%0.04144%0.438CS..Hα-helixtrans-70.9-32.7-178.800000113.1F2 L4 A9 A10 F19F2-A6 HydrophobicContact CD1-CB 4.38Å; F2-A6 HydrophobicContact CE1-CB 4.15Å; F2-A6 WeakPolarHBondContact O-CB 2.99Å; F2-A6 PolarHBondContact O-N 3.07Å; L4-A6 VanDerWaalsContact C-N 3.27Å; L4-A6 PolarHBondContact O-N 3.06Å; A6-A9 PolarHBondContact O-N 3.38Å; A6-A10 VanDerWaalsContact O-CB 3.22Å; A6-A10 WeakPolarHBondContact O-CB 3.34Å; A6-A10 PolarHBondContact O-N 3.45Å; A6-F19 HydrophobicContact CB-CE1 3.34Å; A6-F19 HydrophobicContact CB-CZ 3.47Å; A6-F19 VanDerWaalsContact CB-CZ 3.47Å
7S67.7Low65.3Low75 Ų7582.7 Ų82.752%0.52443%0.432SS..Hα-helixtrans-68.9-43.4173173.60000112.1R3 L4 A9 A10 S11R3-S7 VanDerWaalsContact O-CB 3.22Å; R3-S7 WeakPolarHBondContact O-CB 3.08Å; R3-S7 PolarHBondContact O-N 3.23Å; L4-S7 PolarHBondContact O-N 2.85Å; S7-A9 VanDerWaalsContact C-N 3.3Å; S7-A9 PolarHBondContact O-N 2.93Å; S7-A10 PolarHBondContact O-N 3.4Å; S7-S11 PolarHBondContact O-N 2.9Å; S7-S11 PolarHBondContact O-OG 2.95Å
8V64.6Low66.2Low24 Ų2488.8 Ų88.815%0.14545%0.449CS..Hα-helixtrans-63.3-40.4173.4174.70000110.4L4 I5 S11 K12 A106L4-V8 VanDerWaalsContact O-CG2 3.32Å; L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 3.2Å; I5-V8 PolarHBondContact O-N 3.22Å; V8-S11 PolarHBondContact O-OG 3.48Å; V8-K12 PolarHBondContact O-N 2.98Å; V8-A106 HydrophobicContact CB-CB 4Å; V8-A106 HydrophobicContact CG1-CB 3.72Å
9A64.4Low67.2Low10 Ų1091.4 Ų91.48%0.08346%0.457CS..Hα-helixtrans-63.8-49.2175.300000111.7I5 A6 S7 S11 K12 F13 L110I5-A9 VanDerWaalsContact O-CB 3.27Å; I5-A9 WeakPolarHBondContact O-CB 3.38Å; I5-A9 PolarHBondContact O-N 3.45Å; A6-A9 PolarHBondContact O-N 3.38Å; S7-A9 VanDerWaalsContact C-N 3.3Å; S7-A9 PolarHBondContact O-N 2.93Å; A9-S11 VanDerWaalsContact C-N 3.27Å; A9-S11 PolarHBondContact O-N 3.35Å; A9-K12 PolarHBondContact O-N 3.16Å; A9-F13 WeakPolarHBondContact O-CB 3.34Å; A9-F13 PolarHBondContact O-N 3.06Å; A9-L110 HydrophobicContact CB-CD2 3.82Å; A9-L110 HydrophobicContact CB-CG 4.3Å
10A66.9Low67.9Low56 Ų5690.7 Ų90.746%0.46346%0.458SS..Hα-helixtrans-62.3-31.2-17900000113.4A6 S7A6-A10 VanDerWaalsContact O-CB 3.22Å; A6-A10 WeakPolarHBondContact O-CB 3.34Å; A6-A10 PolarHBondContact O-N 3.45Å; S7-A10 PolarHBondContact O-N 3.4Å
11S66.9Low68.7Low92 Ų9293.6 Ų93.664%0.64348%0.475SS*.Hα-helixtrans-79.1-23.217958.40000114.3S7 V8 A9S7-S11 PolarHBondContact O-N 2.9Å; S7-S11 PolarHBondContact O-OG 2.95Å; V8-S11 PolarHBondContact O-OG 3.48Å; A9-S11 VanDerWaalsContact C-N 3.27Å; A9-S11 PolarHBondContact O-N 3.35Å
12K62.4Low69.8Low131 Ų13195.5 Ų95.557%0.5748%0.482SS*.Hα-helixtrans-113-15.4-173.9-66.8-172177.3-175.40114.1V8 A9 L110V8-K12 PolarHBondContact O-N 2.98Å; A9-K12 PolarHBondContact O-N 3.16Å; K12-L110 HydrophobicContact CB-CD1 4Å
13F65.8Low70.7Confident55 Ų5594.4 Ų94.424%0.24148%0.48CS..  trans-92.4127.8-178.5-159.2-129.5000110.9A9 G15 V17 L110 A113A9-F13 WeakPolarHBondContact O-CB 3.34Å; A9-F13 PolarHBondContact O-N 3.06Å; F13-G15 VanDerWaalsContact CD1-CA 3.4Å; F13-G15 VanDerWaalsContact CD1-N 3.33Å; F13-G15 VanDerWaalsContact CE1-CA 3.44Å; F13-G15 PolarHBondContact O-N 3.17Å; F13-V17 HydrophobicContact CD1-CG2 4.43Å; F13-L110 HydrophobicContact CB-CD2 3.46Å; F13-L110 VanDerWaalsContact CB-CD2 3.46Å; F13-L110 HydrophobicContact CD2-CD2 3.5Å; F13-L110 VanDerWaalsContact CD2-CD2 3.5Å; F13-L110 HydrophobicContact CE2-CD2 4.36Å; F13-L110 HydrophobicContact CG-CD2 3.59Å; F13-A113 HydrophobicContact CE1-CB 4.39Å; F13-A113 HydrophobicContact CE2-CB 3.92Å; F13-A113 HydrophobicContact CZ-CB 3.61Å
14H65Low71.6Confident203 Ų20392.5 Ų92.594%0.9448%0.478SS*.SBendtrans-78.87.1172.2-64.493.9000113
15G66.6Low72.8Confident40 Ų4090.5 Ų90.541%0.41247%0.468SS..SBendtrans-106.1-179.217900000113.8F13F13-G15 VanDerWaalsContact CD1-CA 3.4Å; F13-G15 VanDerWaalsContact CD1-N 3.33Å; F13-G15 VanDerWaalsContact CE1-CA 3.44Å; F13-G15 PolarHBondContact O-N 3.17Å
16Q71.6Confident74.1Confident141 Ų14190.7 Ų90.766%0.65947%0.47SS*.  trans-89.4114.7-178-167.8177.344.100111.4R18Q16-R18 HydrophobicContact CG-CG 4.06Å; Q16-R18 VanDerWaalsContact OE1-CZ 3.31Å
17V79.9Confident75.3Confident56 Ų5692.4 Ų92.434%0.33948%0.478SS..  trans-90.6113.6168-177.90000108.5F13 F19F13-V17 HydrophobicContact CD1-CG2 4.43Å; V17-F19 HydrophobicContact CG1-CD2 4.45Å; V17-F19 HydrophobicContact CG1-CE2 3.91Å; V17-F19 HydrophobicContact CG1-CZ 4Å
18R81.7Confident76.4Confident192 Ų19290 Ų9073%0.72546%0.458SS*.  trans-102.5124173.6-66.4-170.8-173.9-169.72110.1Q16Q16-R18 HydrophobicContact CG-CG 4.06Å; Q16-R18 VanDerWaalsContact OE1-CZ 3.31Å
19F83.6Confident77.6Confident139 Ų13993.6 Ų93.661%0.6148%0.476SS*.  trans-88.6129.7170.6-64.1-87.6000108.8A6 V17A6-F19 HydrophobicContact CB-CE1 3.34Å; A6-F19 HydrophobicContact CB-CZ 3.47Å; A6-F19 VanDerWaalsContact CB-CZ 3.47Å; V17-F19 HydrophobicContact CG1-CD2 4.45Å; V17-F19 HydrophobicContact CG1-CE2 3.91Å; V17-F19 HydrophobicContact CG1-CZ 4Å
20T82.9Confident78.7Confident76 Ų7693.8 Ų93.847%0.46648%0.476SS..  trans-136.1141.9177.2-179.90000109.9E22T20-E22 WeakPolarHBondContact OG1-CB 3.14Å; T20-E22 WeakPolarHBondContact OG1-CG 3.48Å; T20-E22 PolarHBondContact OG1-N 3.33Å; T20-E22 VanDerWaalsContact OG1-N 3.15Å
21D83.2Confident79.4Confident153 Ų15397.8 Ų97.882%0.81849%0.486SS*.SBendtrans-96.90.4173.5-66.6-38.9000112.2V23D21-V23 VanDerWaalsContact C-N 3.35Å
22E78.7Confident80Confident173 Ų173100.9 Ų100.981%0.80849%0.49SS*.SBendtrans-69.9-32.2-176.9-65.2174.9175.600112.2T20T20-E22 WeakPolarHBondContact OG1-CB 3.14Å; T20-E22 WeakPolarHBondContact OG1-CG 3.48Å; T20-E22 PolarHBondContact OG1-N 3.33Å; T20-E22 VanDerWaalsContact OG1-N 3.15Å
23V79.8Confident81.2Confident42 Ų4298 Ų9826%0.25548%0.48SS..  trans-108.294.4-176.6-160.30000110D21 V26 Y60D21-V23 VanDerWaalsContact C-N 3.35Å; V23-V26 HydrophobicContact CB-CG2 4.08Å; V23-V26 HydrophobicContact CG1-CB 4.35Å; V23-V26 HydrophobicContact CG1-CG1 4.26Å; V23-V26 HydrophobicContact CG1-CG2 3.41Å; V23-V26 VanDerWaalsContact CG1-CG2 3.41Å; V23-Y60 HydrophobicContact CG1-CD1 4.36Å; V23-Y60 HydrophobicContact CG1-CE1 3.62Å; V23-Y60 HydrophobicContact CG1-CE2 4.42Å
24K80.9Confident82.4Confident182 Ų18295.4 Ų95.479%0.79147%0.469SS*.  trans-82.5-21-175.9-64.2-176.4179.8178.40114.2
25D86.4Confident83.8Confident46 Ų4685.9 Ų85.925%0.24643%0.426CS..SBendtrans-86.6-14.6-172.3-73.2-30.5000113.3K53 Y60D25-K53 WeakPolarHBondContact O-CE 3.38Å; D25-K53 WeakPolarHBondContact O-CG 3.13Å; D25-Y60 HydrophobicContact CB-CE2 3.69Å
26V91.3Very high85.1Confident14 Ų1484 Ų849%0.08541%0.406CS..  trans-127.3154.8-174.7-45.30000110.5V23 V35 I37 M57 Y60V23-V26 HydrophobicContact CB-CG2 4.08Å; V23-V26 HydrophobicContact CG1-CB 4.35Å; V23-V26 HydrophobicContact CG1-CG1 4.26Å; V23-V26 HydrophobicContact CG1-CG2 3.41Å; V23-V26 VanDerWaalsContact CG1-CG2 3.41Å; V26-V35 HydrophobicContact CB-CG1 3.79Å; V26-V35 HydrophobicContact CG1-CG1 3.49Å; V26-V35 VanDerWaalsContact CG1-CG1 3.49Å; V26-V35 HydrophobicContact CG2-CG1 4.2Å; V26-I37 HydrophobicContact CB-CG2 4.49Å; V26-M57 HydrophobicContact CG1-CG 4.17Å; V26-Y60 HydrophobicContact CG1-CD2 3.62Å; V26-Y60 HydrophobicContact CG1-CE2 3.93Å; V26-Y60 HydrophobicContact CG1-CG 4.06Å
27D91Very high86.2Confident41 Ų4177.3 Ų77.322%0.21938%0.375CS..SBendtrans-94.5-37.1179.6-66.9-57000112.2F2 G36 I37 F38 K53F2-D27 HydrophobicContact CD2-CB 3.85Å; F2-D27 WeakPolarHBondContact CE1-O 3.22Å; F2-D27 HydrophobicContact CE2-CB 3.75Å; F2-D27 WeakPolarHBondContact CE2-O 3.45Å; F2-D27 WeakPolarHBondContact CZ-O 3.22Å; D27-G36 PolarHBondContact N-O 3.38Å; D27-I37 VanDerWaalsContact OD2-CA 3.25Å; D27-I37 WeakPolarHBondContact OD2-CA 3.48Å; D27-F38 PolarHBondContact OD2-N 3.28Å; D27-K53 IonicContact OD1-NZ 2.81Å; D27-K53 PolarHBondContact OD1-NZ 3.45Å; D27-K53 IonicContact OD2-NZ 2.96Å; D27-K53 PolarHBondContact OD2-NZ 3.07Å
28F90.9Very high86.8Confident23 Ų2375.7 Ų75.710%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-145155.2178.663.2-87.5000111.7F2 I30 G36 I70 V109F2-F28 HydrophobicContact CE2-CB 4.18Å; F2-F28 HydrophobicContact CE2-CD1 4.32Å; F2-F28 HydrophobicContact CZ-CB 3.99Å; F28-I30 HydrophobicContact CD2-CG1 4.31Å; F28-I30 HydrophobicContact CE2-CD1 4.49Å; F28-G36 VanDerWaalsContact CE1-C 3.47Å; F28-G36 VanDerWaalsContact CZ-CA 3.48Å; F28-G36 PolarHBondContact N-O 2.97Å; F28-G36 VanDerWaalsContact N-O 3.08Å; F28-G36 PolarHBondContact O-N 3.03Å; F28-I70 HydrophobicContact CE1-CD1 3.78Å; F28-I70 HydrophobicContact CE1-CG1 4.37Å; F28-I70 HydrophobicContact CZ-CD1 3.75Å; F28-I70 HydrophobicContact CZ-CG1 4.32Å; F28-V109 HydrophobicContact CD1-CG2 4.38Å; F28-V109 HydrophobicContact CD2-CG1 4.11Å; F28-V109 HydrophobicContact CD2-CG2 4.21Å; F28-V109 HydrophobicContact CE1-CG2 4.06Å; F28-V109 HydrophobicContact CE2-CG1 4.39Å; F28-V109 HydrophobicContact CE2-CG2 3.87Å; F28-V109 HydrophobicContact CG-CG2 4.45Å; F28-V109 HydrophobicContact CZ-CG2 3.78Å
29L89.8Confident87.3Confident100 Ų10067.1 Ų67.152%0.52433%0.332SS..EExtended strand (participates in β ladder)trans-133.1128176.2-175.1145.4000108.5M31 V35L29-M31 HydrophobicContact CD2-CG 4.01Å; L29-V35 HydrophobicContact CD1-CG2 3.97Å; L29-V35 HydrophobicContact CG-CG2 4.18Å
30I88Confident87.5Confident15 Ų1561.8 Ų61.88%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-104.3110.3170.1-55.3179.1000105.4F28 H32 I33 A34 V109 M112 A113F28-I30 HydrophobicContact CD2-CG1 4.31Å; F28-I30 HydrophobicContact CE2-CD1 4.49Å; I30-H32 PolarHBondContact O-N 3.17Å; I30-I33 HydrophobicContact CB-CB 4.47Å; I30-I33 HydrophobicContact CG2-CB 4.03Å; I30-I33 HydrophobicContact CG2-CD1 4.11Å; I30-I33 PolarHBondContact O-N 2.85Å; I30-A34 HydrophobicContact CB-CB 4.27Å; I30-A34 HydrophobicContact CD1-CB 4.34Å; I30-A34 PolarHBondContact N-O 3.41Å; I30-A34 PolarHBondContact O-N 3.43Å; I30-V109 HydrophobicContact CD1-CG1 4.39Å; I30-M112 HydrophobicContact CD1-CB 3.46Å; I30-M112 VanDerWaalsContact CD1-CB 3.46Å; I30-A113 HydrophobicContact CD1-CB 4.33Å; I30-A113 HydrophobicContact CG1-CB 4.48Å; I30-A113 HydrophobicContact CG2-CB 4.23Å
31M80.5Confident87.5Confident139 Ų13958.2 Ų58.269%0.68529%0.292SS*.THydrogen-bonded Turntrans-49.2126.1-169-72.3-170.967.800111.9L29 I33L29-M31 HydrophobicContact CD2-CG 4.01Å; M31-I33 PolarHBondContact O-N 3.42Å
32H80.3Confident87.3Confident157 Ų15755.1 Ų55.173%0.72728%0.275SS*.THydrogen-bonded Turntrans60.85179.1-51.9-72.8000116.9I30I30-H32 PolarHBondContact O-N 3.17Å
33I87.1Confident87.5Confident70 Ų7048.8 Ų48.836%0.35925%0.25SS..THydrogen-bonded Turntrans-119-57.8-175.3-60.8171.7000110.5I30 M31 V65 I66 M112I30-I33 HydrophobicContact CB-CB 4.47Å; I30-I33 HydrophobicContact CG2-CB 4.03Å; I30-I33 HydrophobicContact CG2-CD1 4.11Å; I30-I33 PolarHBondContact O-N 2.85Å; M31-I33 PolarHBondContact O-N 3.42Å; I33-V65 WeakPolarHBondContact O-CA 3.46Å; I33-I66 WeakPolarHBondContact O-CG1 3.34Å; I33-I66 PolarHBondContact O-N 2.88Å; I33-M112 HydrophobicContact CG2-CE 4.34Å
34A91.4Very high87.6Confident1 Ų149.3 Ų49.31%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-146.8148.3-168.500000112.9I30 I66 I68I30-A34 HydrophobicContact CB-CB 4.27Å; I30-A34 HydrophobicContact CD1-CB 4.34Å; I30-A34 PolarHBondContact N-O 3.41Å; I30-A34 PolarHBondContact O-N 3.43Å; A34-I66 VanDerWaalsContact CA-O 3.29Å; A34-I66 WeakPolarHBondContact CA-O 3.49Å; A34-I66 HydrophobicContact CB-CD1 4.21Å; A34-I66 HydrophobicContact CB-CG1 3.59Å; A34-I68 HydrophobicContact CB-CD1 3.73Å; A34-I68 HydrophobicContact CB-CG1 4.3Å
35V93.4Very high87.9Confident4 Ų448.7 Ų48.72%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-120.5138.7166.71700000107.4V26 L29 M57 V65 I66 G67 I68V26-V35 HydrophobicContact CB-CG1 3.79Å; V26-V35 HydrophobicContact CG1-CG1 3.49Å; V26-V35 VanDerWaalsContact CG1-CG1 3.49Å; V26-V35 HydrophobicContact CG2-CG1 4.2Å; L29-V35 HydrophobicContact CD1-CG2 3.97Å; L29-V35 HydrophobicContact CG-CG2 4.18Å; V35-M57 HydrophobicContact CG1-CG 3.94Å; V35-M57 HydrophobicContact CG1-SD 4.37Å; V35-V65 HydrophobicContact CB-CG1 4.29Å; V35-V65 HydrophobicContact CG2-CG1 3.71Å; V35-I66 PolarHBondContact N-O 3.24Å; V35-G67 WeakPolarHBondContact O-CA 3.37Å; V35-I68 PolarHBondContact O-N 2.95Å
36G94.3Very high87.9Confident0 Ų049.7 Ų49.70%027%0.267CS..EExtended strand (participates in β ladder)trans-148.3162179.500000116.6D27 F28 I68D27-G36 PolarHBondContact N-O 3.38Å; F28-G36 VanDerWaalsContact CE1-C 3.47Å; F28-G36 VanDerWaalsContact CZ-CA 3.48Å; F28-G36 PolarHBondContact N-O 2.97Å; F28-G36 VanDerWaalsContact N-O 3.08Å; F28-G36 PolarHBondContact O-N 3.03Å; G36-I68 CarbonylContact C-O 3.57Å; G36-I68 WeakPolarHBondContact CA-O 3.44Å
37I94.7Very high87.8Confident0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-125.2148.6178.760.9173.2000110V26 D27 V39 K53 V54 M57 I68 V69 I70V26-I37 HydrophobicContact CB-CG2 4.49Å; D27-I37 VanDerWaalsContact OD2-CA 3.25Å; D27-I37 WeakPolarHBondContact OD2-CA 3.48Å; I37-V39 HydrophobicContact CD1-CG1 4.12Å; I37-V39 HydrophobicContact CG1-CG1 4.43Å; I37-K53 HydrophobicContact CB-CD 4.12Å; I37-K53 HydrophobicContact CD1-CB 4.19Å; I37-K53 HydrophobicContact CD1-CD 4.4Å; I37-K53 HydrophobicContact CD1-CG 4.17Å; I37-K53 HydrophobicContact CG2-CD 3.94Å; I37-K53 HydrophobicContact CG2-CG 4Å; I37-V54 HydrophobicContact CD1-CB 4.41Å; I37-V54 HydrophobicContact CD1-CG2 3.66Å; I37-M57 HydrophobicContact CB-SD 4.3Å; I37-M57 HydrophobicContact CD1-SD 4.34Å; I37-M57 HydrophobicContact CG1-SD 3.91Å; I37-M57 HydrophobicContact CG2-CB 4.37Å; I37-M57 HydrophobicContact CG2-CG 4.28Å; I37-M57 HydrophobicContact CG2-SD 3.72Å; I37-I68 PolarHBondContact N-O 3.42Å; I37-V69 HydrophobicContact CD1-CG1 4.18Å; I37-V69 HydrophobicContact CD1-CG2 4.17Å; I37-V69 HydrophobicContact CG1-CB 4.32Å; I37-V69 HydrophobicContact CG1-CG1 4.09Å; I37-V69 HydrophobicContact CG1-CG2 4.08Å; I37-I70 PolarHBondContact O-N 3.46Å
38F93.5Very high87.7Confident23 Ų2351.9 Ų51.910%0.10128%0.277CS..EExtended strand (participates in β ladder)trans-116.5115.6175.1-177.7-90.6000109.1M1 I5 D27 I70 R72 V99 A105M1-F38 HydrophobicContact CG-CE1 4.15Å; M1-F38 HydrophobicContact SD-CE1 3.68Å; M1-F38 HydrophobicContact SD-CZ 4.33Å; I5-F38 HydrophobicContact CD1-CD1 4.08Å; I5-F38 HydrophobicContact CD1-CD2 3.69Å; I5-F38 HydrophobicContact CD1-CE1 4.21Å; I5-F38 HydrophobicContact CD1-CE2 3.82Å; I5-F38 HydrophobicContact CD1-CG 3.81Å; I5-F38 HydrophobicContact CD1-CZ 4.07Å; D27-F38 PolarHBondContact OD2-N 3.28Å; F38-I70 WeakPolarHBondContact CA-O 3.46Å; F38-I70 HydrophobicContact CD2-CB 3.96Å; F38-I70 HydrophobicContact CD2-CG2 3.64Å; F38-I70 HydrophobicContact CE2-CG2 3.93Å; F38-R72 HydrophobicContact CE1-CB 4.36Å; F38-R72 HydrophobicContact CE2-CB 4.38Å; F38-R72 HydrophobicContact CZ-CB 3.79Å; F38-R72 HydrophobicContact CZ-CG 4.38Å; F38-V99 HydrophobicContact CE2-CG2 3.95Å; F38-A105 HydrophobicContact CD2-CB 3.92Å; F38-A105 HydrophobicContact CE2-CB 3.67Å
39V92.2Very high87.7Confident12 Ų1258.3 Ų58.37%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-129148.2-174.2-63.90000111I37 A50 K53 V69 I70 V71 R72 L84I37-V39 HydrophobicContact CD1-CG1 4.12Å; I37-V39 HydrophobicContact CG1-CG1 4.43Å; V39-A50 HydrophobicContact CB-CB 3.9Å; V39-A50 HydrophobicContact CG1-CB 3.97Å; V39-A50 HydrophobicContact CG2-CB 4.17Å; V39-K53 HydrophobicContact CG1-CD 4.42Å; V39-V69 HydrophobicContact CG2-CG1 4.06Å; V39-I70 PolarHBondContact N-O 3.31Å; V39-V71 HydrophobicContact CG2-CB 4.47Å; V39-V71 HydrophobicContact CG2-CG1 4.41Å; V39-V71 HydrophobicContact CG2-CG2 4.03Å; V39-V71 CarbonylContact O-C 3.52Å; V39-V71 WeakPolarHBondContact O-CA 3.41Å; V39-R72 PolarHBondContact O-N 3.16Å; V39-L84 HydrophobicContact CG2-CD2 3.7Å
40A87.9Confident87.8Confident27 Ų2753.8 Ų53.822%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-112.7150.3166.500000108.1R72A40-R72 HydrophobicContact CB-CB 4.3Å
41C81.6Confident88.1Confident0 Ų057.6 Ų57.60%030%0.295CS..  trans-133.366.5-177.4-640000111.3D77 N80 L84C41-D77 WeakPolarHBondContact O-CB 3.49Å; C41-N80 HydrophobicContact CB-CB 4.22Å; C41-L84 WeakPolarHBondContact SG-CD2 3.19Å
42N80.3Confident88.7Confident88 Ų8858.8 Ų58.847%0.47129%0.292SS..SBendtrans-83.7-22.817865.229.3000113.9E46 L74N42-E46 PolarHBondContact N-OE2 3.1Å; N42-E46 PolarHBondContact ND2-OE1 2.98Å; N42-E46 PolarHBondContact ND2-OE2 2.8Å; N42-E46 PolarHBondContact OD1-OE1 2.82Å; N42-E46 PolarHBondContact OD1-OE2 3.4Å; N42-L74 HydrophobicContact CB-CD1 3.9Å
43S82.7Confident89.3Confident41 Ų4153.5 Ų53.529%0.28727%0.266SS..SBendtrans-142.9163.7-169.661.60000111.3E45 E46 N47S43-E45 VanDerWaalsContact C-N 3.27Å; S43-E45 PolarHBondContact O-N 3.3Å; S43-E46 PolarHBondContact O-N 3.27Å; S43-E46 WeakPolarHBondContact OG-CG 3.11Å; S43-E46 PolarHBondContact OG-N 3.21Å; S43-N47 WeakPolarHBondContact O-CB 3.31Å; S43-N47 PolarHBondContact O-N 3.33Å
44G81.9Confident89.6Confident53 Ų5350.1 Ų50.155%0.54625%0.249SC..Hα-helixtrans-59.3-37.3177.100000113.1N47 M48G44-N47 PolarHBondContact O-N 3.5Å; G44-M48 PolarHBondContact O-N 3.01Å
45E86.4Confident89.8Confident168 Ų16852.1 Ų52.179%0.78527%0.265SS*.Hα-helixtrans-68.6-46.1177.7-65.1-173.2174.400112.3S43 N47 M48 K49S43-E45 VanDerWaalsContact C-N 3.27Å; S43-E45 PolarHBondContact O-N 3.3Å; E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.23Å; E45-M48 PolarHBondContact O-N 3Å; E45-K49 PolarHBondContact O-N 2.97Å
46E86.7Confident89.8Confident67 Ų6753.7 Ų53.731%0.31328%0.275SS..Hα-helixtrans-61-41.1174.6-77.5-168.9174.600111.4N42 S43 M48 K49 A50N42-E46 PolarHBondContact N-OE2 3.1Å; N42-E46 PolarHBondContact ND2-OE1 2.98Å; N42-E46 PolarHBondContact ND2-OE2 2.8Å; N42-E46 PolarHBondContact OD1-OE1 2.82Å; N42-E46 PolarHBondContact OD1-OE2 3.4Å; S43-E46 PolarHBondContact O-N 3.27Å; S43-E46 WeakPolarHBondContact OG-CG 3.11Å; S43-E46 PolarHBondContact OG-N 3.21Å; E46-M48 PolarHBondContact O-N 2.77Å; E46-K49 PolarHBondContact O-N 3.1Å; E46-A50 WeakPolarHBondContact O-CB 3.33Å; E46-A50 PolarHBondContact O-N 3.17Å
47N88.6Confident89.8Confident13 Ų1353.7 Ų53.77%0.0728%0.275CS..Hα-helixtrans-62.9-42.3176.3-173.738.4000111.5S43 G44 E45 K49 A50 R51S43-N47 WeakPolarHBondContact O-CB 3.31Å; S43-N47 PolarHBondContact O-N 3.33Å; G44-N47 PolarHBondContact O-N 3.5Å; E45-N47 VanDerWaalsContact C-N 3.3Å; E45-N47 PolarHBondContact O-N 3.23Å; N47-K49 VanDerWaalsContact C-N 3.34Å; N47-K49 PolarHBondContact O-N 2.76Å; N47-A50 PolarHBondContact O-N 3.36Å; N47-R51 WeakPolarHBondContact O-CB 3.42Å; N47-R51 VanDerWaalsContact O-CG 3.28Å; N47-R51 WeakPolarHBondContact O-CG 3.38Å; N47-R51 PolarHBondContact O-N 3.22Å
48M89.7Confident89.7Confident89 Ų8961.4 Ų61.444%0.43831%0.305SS..Hα-helixtrans-63.8-40.6175.7-171.458.8160.700111.6G44 E45 E46 R51 R52G44-M48 PolarHBondContact O-N 3.01Å; E45-M48 PolarHBondContact O-N 3Å; E46-M48 PolarHBondContact O-N 2.77Å; M48-R51 PolarHBondContact O-N 3.02Å; M48-R52 WeakPolarHBondContact O-CG 3.27Å; M48-R52 PolarHBondContact O-N 3.35Å
49K91.4Very high89.6Confident158 Ų15869.7 Ų69.769%0.68734%0.335SS*.Hα-helixtrans-63.8-43.2174.5-173.4177.6179.9178.30111.6E45 E46 N47 R52 K53E45-K49 PolarHBondContact O-N 2.97Å; E46-K49 PolarHBondContact O-N 3.1Å; N47-K49 VanDerWaalsContact C-N 3.34Å; N47-K49 PolarHBondContact O-N 2.76Å; K49-R52 PolarHBondContact O-N 3.13Å; K49-K53 PolarHBondContact O-N 3.02Å
50A91.9Very high89.5Confident4 Ų473 Ų733%0.03335%0.347CS..Hα-helixtrans-61-45.8175.900000111.1V39 E46 N47 R52 K53 V54 L84V39-A50 HydrophobicContact CB-CB 3.9Å; V39-A50 HydrophobicContact CG1-CB 3.97Å; V39-A50 HydrophobicContact CG2-CB 4.17Å; E46-A50 WeakPolarHBondContact O-CB 3.33Å; E46-A50 PolarHBondContact O-N 3.17Å; N47-A50 PolarHBondContact O-N 3.36Å; A50-R52 PolarHBondContact O-N 3.4Å; A50-K53 WeakPolarHBondContact O-CB 3.42Å; A50-K53 PolarHBondContact O-N 2.86Å; A50-K53 VanDerWaalsContact O-N 3.13Å; A50-V54 WeakPolarHBondContact O-CG2 3.16Å; A50-V54 PolarHBondContact O-N 2.86Å; A50-L84 HydrophobicContact CB-CD1 4.1Å; A50-L84 HydrophobicContact CB-CD2 4.07Å
51R92.9Very high89.7Confident96 Ų9673.3 Ų73.336%0.36235%0.346SS..Hα-helixtrans-61.8-41.4176-71.6178.870.3-168.92.9112.6N47 M48 K53 V54 A55 L84 F87N47-R51 WeakPolarHBondContact O-CB 3.42Å; N47-R51 VanDerWaalsContact O-CG 3.28Å; N47-R51 WeakPolarHBondContact O-CG 3.38Å; N47-R51 PolarHBondContact O-N 3.22Å; M48-R51 PolarHBondContact O-N 3.02Å; R51-K53 VanDerWaalsContact C-N 3.3Å; R51-K53 PolarHBondContact O-N 2.97Å; R51-V54 PolarHBondContact O-N 3.15Å; R51-A55 WeakPolarHBondContact O-CB 3.4Å; R51-A55 PolarHBondContact O-N 3.16Å; R51-L84 HydrophobicContact CG-CD1 3.85Å; R51-F87 HydrophobicContact CB-CD1 4.11Å; R51-F87 HydrophobicContact CB-CE1 3.82Å; R51-F87 HydrophobicContact CB-CZ 4.39Å; R51-F87 HydrophobicContact CG-CD1 3.87Å; R51-F87 HydrophobicContact CG-CE1 4.1Å; R51-F87 HydrophobicContact CG-CG 4.36Å; R51-F87 WeakPolarHBondContact O-CE1 3.47Å
52R93.6Very high90Very high163 Ų16377.9 Ų77.962%0.61537%0.37SS*.Hα-helixtrans-59.9-42.8173.2-73.2177-170.3167.13.8111.2M48 K49 A50 A55 T56M48-R52 WeakPolarHBondContact O-CG 3.27Å; M48-R52 PolarHBondContact O-N 3.35Å; K49-R52 PolarHBondContact O-N 3.13Å; A50-R52 PolarHBondContact O-N 3.4Å; R52-A55 PolarHBondContact O-N 2.89Å; R52-T56 WeakPolarHBondContact O-CG2 3.26Å; R52-T56 PolarHBondContact O-N 3.5Å; R52-T56 PolarHBondContact O-OG1 2.91Å
53K93Very high90.3Very high46 Ų4682.2 Ų82.220%0.239%0.394CS..Hα-helixtrans-66.5-40.4178.4-157.1178.6-172.7175.20112.8D25 D27 I37 V39 K49 A50 R51 A55 T56 M57D25-K53 WeakPolarHBondContact O-CE 3.38Å; D25-K53 WeakPolarHBondContact O-CG 3.13Å; D27-K53 IonicContact OD1-NZ 2.81Å; D27-K53 PolarHBondContact OD1-NZ 3.45Å; D27-K53 IonicContact OD2-NZ 2.96Å; D27-K53 PolarHBondContact OD2-NZ 3.07Å; I37-K53 HydrophobicContact CB-CD 4.12Å; I37-K53 HydrophobicContact CD1-CB 4.19Å; I37-K53 HydrophobicContact CD1-CD 4.4Å; I37-K53 HydrophobicContact CD1-CG 4.17Å; I37-K53 HydrophobicContact CG2-CD 3.94Å; I37-K53 HydrophobicContact CG2-CG 4Å; V39-K53 HydrophobicContact CG1-CD 4.42Å; K49-K53 PolarHBondContact O-N 3.02Å; A50-K53 WeakPolarHBondContact O-CB 3.42Å; A50-K53 PolarHBondContact O-N 2.86Å; A50-K53 VanDerWaalsContact O-N 3.13Å; R51-K53 VanDerWaalsContact C-N 3.3Å; R51-K53 PolarHBondContact O-N 2.97Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.85Å; K53-T56 WeakPolarHBondContact CA-OG1 3.37Å; K53-T56 PolarHBondContact O-N 3Å; K53-T56 PolarHBondContact O-OG1 3.4Å; K53-T56 VanDerWaalsContact O-OG1 3.06Å; K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.34Å; K53-M57 PolarHBondContact O-N 3.2Å
54V94.4Very high90.5Very high0 Ų088 Ų880%042%0.416CS..Hα-helixtrans-57.1-46.51711700000110.1I37 A50 R51 T56 M57 V69 L84 F87 A88 F92 F94I37-V54 HydrophobicContact CD1-CB 4.41Å; I37-V54 HydrophobicContact CD1-CG2 3.66Å; A50-V54 WeakPolarHBondContact O-CG2 3.16Å; A50-V54 PolarHBondContact O-N 2.86Å; R51-V54 PolarHBondContact O-N 3.15Å; V54-T56 PolarHBondContact O-N 3.5Å; V54-M57 PolarHBondContact O-N 3.44Å; V54-V69 HydrophobicContact CG2-CG1 4.25Å; V54-V69 HydrophobicContact CG2-CG2 4.06Å; V54-L84 HydrophobicContact CG2-CD1 3.98Å; V54-F87 HydrophobicContact CB-CD1 4.24Å; V54-F87 HydrophobicContact CB-CE1 4.05Å; V54-F87 HydrophobicContact CG1-CD1 3.9Å; V54-F87 HydrophobicContact CG1-CE1 3.87Å; V54-A88 HydrophobicContact CG1-CB 4.09Å; V54-A88 HydrophobicContact CG2-CB 4.42Å; V54-F92 HydrophobicContact CG1-CD2 3.66Å; V54-F92 HydrophobicContact CG1-CE2 3.91Å; V54-F92 HydrophobicContact CG1-CG 4.47Å; V54-F94 HydrophobicContact CG1-CD2 3.95Å; V54-F94 HydrophobicContact CG1-CE2 3.98Å; V54-F94 WeakPolarHBondContact O-CE2 3.3Å
55A94.6Very high90.9Very high42 Ų4286.6 Ų86.635%0.34740%0.397SS..Hα-helixtrans-66.2-37-179.600000113.2R51 R52 K53 R58 F92R51-A55 WeakPolarHBondContact O-CB 3.4Å; R51-A55 PolarHBondContact O-N 3.16Å; R52-A55 PolarHBondContact O-N 2.89Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.85Å; A55-R58 WeakPolarHBondContact O-CB 3.46Å; A55-F92 HydrophobicContact CB-CZ 4.11Å
56T94Very high91.2Very high38 Ų3882 Ų8223%0.23338%0.377CS..Hα-helixtrans-74.3-36.617754.60000112.4R52 K53 V54 R58 R59R52-T56 WeakPolarHBondContact O-CG2 3.26Å; R52-T56 PolarHBondContact O-N 3.5Å; R52-T56 PolarHBondContact O-OG1 2.91Å; K53-T56 WeakPolarHBondContact CA-OG1 3.37Å; K53-T56 PolarHBondContact O-N 3Å; K53-T56 PolarHBondContact O-OG1 3.4Å; K53-T56 VanDerWaalsContact O-OG1 3.06Å; V54-T56 PolarHBondContact O-N 3.5Å; T56-R58 PolarHBondContact O-N 3.38Å; T56-R58 VanDerWaalsContact O-N 3.12Å; T56-R59 WeakPolarHBondContact O-CB 3.5Å; T56-R59 WeakPolarHBondContact O-CG 3.44Å; T56-R59 PolarHBondContact O-N 2.93Å; T56-R59 VanDerWaalsContact O-N 3.13Å
57M93.7Very high91.5Very high0 Ų079 Ų790%036%0.364CS..Hα-helixtrans-55.5-29.9176.7-174.5-177.67500112.8V26 V35 I37 K53 V54 R59 Y60 V69 F94V26-M57 HydrophobicContact CG1-CG 4.17Å; V35-M57 HydrophobicContact CG1-CG 3.94Å; V35-M57 HydrophobicContact CG1-SD 4.37Å; I37-M57 HydrophobicContact CB-SD 4.3Å; I37-M57 HydrophobicContact CD1-SD 4.34Å; I37-M57 HydrophobicContact CG1-SD 3.91Å; I37-M57 HydrophobicContact CG2-CB 4.37Å; I37-M57 HydrophobicContact CG2-CG 4.28Å; I37-M57 HydrophobicContact CG2-SD 3.72Å; K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.34Å; K53-M57 PolarHBondContact O-N 3.2Å; V54-M57 PolarHBondContact O-N 3.44Å; M57-R59 PolarHBondContact O-N 3.24Å; M57-Y60 PolarHBondContact O-N 3.49Å; M57-V69 HydrophobicContact CE-CG2 3.9Å; M57-F94 HydrophobicContact CE-CB 4.39Å; M57-F94 HydrophobicContact CE-CD1 4.19Å; M57-F94 HydrophobicContact CE-CD2 3.22Å; M57-F94 HydrophobicContact CE-CE1 4.29Å; M57-F94 HydrophobicContact CE-CE2 3.35Å; M57-F94 HydrophobicContact CE-CG 3.68Å; M57-F94 HydrophobicContact CE-CZ 3.91Å
58R92Very high91.9Very high162 Ų16278.5 Ų78.561%0.61136%0.362SS*.G310 helixtrans-49.6-31175.9-176-171.3174.9179.8-0.7114.1A55 T56 Y60 T61 F92 F94A55-R58 WeakPolarHBondContact O-CB 3.46Å; T56-R58 PolarHBondContact O-N 3.38Å; T56-R58 VanDerWaalsContact O-N 3.12Å; R58-Y60 PolarHBondContact O-N 2.99Å; R58-Y60 VanDerWaalsContact O-N 3.12Å; R58-T61 PolarHBondContact O-N 3.24Å; R58-T61 PolarHBondContact O-OG1 3.16Å; R58-F92 HydrophobicContact CB-CD1 4.27Å; R58-F92 HydrophobicContact CB-CE1 4.44Å; R58-F92 HydrophobicContact CG-CD1 4.2Å; R58-F94 HydrophobicContact CB-CZ 3.97Å; R58-F94 HydrophobicContact CG-CZ 4.45Å
59R91.6Very high92.1Very high197 Ų19774.3 Ų74.374%0.74334%0.341SS*.G310 helixtrans-63.2-17.6179.7-63.2175.4178.7-178.6-3113.4T56 M57T56-R59 WeakPolarHBondContact O-CB 3.5Å; T56-R59 WeakPolarHBondContact O-CG 3.44Å; T56-R59 PolarHBondContact O-N 2.93Å; T56-R59 VanDerWaalsContact O-N 3.13Å; M57-R59 PolarHBondContact O-N 3.24Å
60Y91.2Very high92.3Very high82 Ų8266.8 Ų66.832%0.32231%0.308SS..G310 helixtrans-106.8-2.1-175.7-59.1-86.7000113.5V23 D25 V26 M57 R58V23-Y60 HydrophobicContact CG1-CD1 4.36Å; V23-Y60 HydrophobicContact CG1-CE1 3.62Å; V23-Y60 HydrophobicContact CG1-CE2 4.42Å; D25-Y60 HydrophobicContact CB-CE2 3.69Å; V26-Y60 HydrophobicContact CG1-CD2 3.62Å; V26-Y60 HydrophobicContact CG1-CE2 3.93Å; V26-Y60 HydrophobicContact CG1-CG 4.06Å; M57-Y60 PolarHBondContact O-N 3.49Å; R58-Y60 PolarHBondContact O-N 2.99Å; R58-Y60 VanDerWaalsContact O-N 3.12Å
61T90.6Very high92.4Very high33 Ų3366.6 Ų66.620%0.20231%0.307CS..  trans-103.5143.9-178.657.70000110.8R58 F94R58-T61 PolarHBondContact O-N 3.24Å; R58-T61 PolarHBondContact O-OG1 3.16Å; T61-F94 HydrophobicContact CG2-CD1 4.33Å; T61-F94 HydrophobicContact CG2-CE1 3.64Å; T61-F94 HydrophobicContact CG2-CZ 4.14Å
62N88.6Confident92.4Very high95 Ų9565.3 Ų65.351%0.50830%0.302SS..  trans-151.9-172.8174.961.141.7000109Q64 V65N62-Q64 PolarHBondContact O-N 3.07Å; N62-Q64 VanDerWaalsContact O-N 3.08Å; N62-Q64 WeakPolarHBondContact OD1-CA 3.49Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; N62-Q64 PolarHBondContact OD1-N 3.44Å; N62-V65 PolarHBondContact N-O 3.5Å; N62-V65 PolarHBondContact O-N 3.35Å; N62-V65 VanDerWaalsContact O-N 3.15Å; N62-V65 VanDerWaalsContact O-O 3.09Å; N62-V65 PolarHBondContact OD1-N 2.87Å
63D87.5Confident92.1Very high180 Ų18063 Ų6396%0.96329%0.293SS*.SBendtrans-60.4-21-177.7-62-19.5000114.1
64Q86.3Confident91.7Very high161 Ų16163.8 Ų63.875%0.75230%0.299SS*.SBendtrans-99.7-23.2178.5-61.7-177.7-15.700113.3N62N62-Q64 PolarHBondContact O-N 3.07Å; N62-Q64 VanDerWaalsContact O-N 3.08Å; N62-Q64 WeakPolarHBondContact OD1-CA 3.49Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; N62-Q64 PolarHBondContact OD1-N 3.44Å
65V89.7Confident91.1Very high24 Ų2475.1 Ų75.115%0.14534%0.342CS..SBendtrans-114.6109.4-172.9-178.90000110.3I33 V35 N62I33-V65 WeakPolarHBondContact O-CA 3.46Å; V35-V65 HydrophobicContact CB-CG1 4.29Å; V35-V65 HydrophobicContact CG2-CG1 3.71Å; N62-V65 PolarHBondContact N-O 3.5Å; N62-V65 PolarHBondContact O-N 3.35Å; N62-V65 VanDerWaalsContact O-N 3.15Å; N62-V65 VanDerWaalsContact O-O 3.09Å; N62-V65 PolarHBondContact OD1-N 2.87Å
66I92.4Very high90.5Very high71 Ų7181.2 Ų81.236%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-76.1136.4-179.264.5169.3000111.8I33 A34 V35 I68 M112I33-I66 WeakPolarHBondContact O-CG1 3.34Å; I33-I66 PolarHBondContact O-N 2.88Å; A34-I66 VanDerWaalsContact CA-O 3.29Å; A34-I66 WeakPolarHBondContact CA-O 3.49Å; A34-I66 HydrophobicContact CB-CD1 4.21Å; A34-I66 HydrophobicContact CB-CG1 3.59Å; V35-I66 PolarHBondContact N-O 3.24Å; I66-I68 HydrophobicContact CD1-CD1 3.87Å; I66-I68 HydrophobicContact CD1-CG1 4.1Å; I66-I68 HydrophobicContact CG1-CD1 4.25Å; I66-I68 HydrophobicContact CG1-CG1 4.19Å; I66-M112 HydrophobicContact CD1-CE 3.95Å
67G94.6Very high90.1Very high5 Ų579.6 Ų79.65%0.05236%0.358CS..EExtended strand (participates in β ladder)trans-86.3125.9171.100000111.3V35 F94 K95V35-G67 WeakPolarHBondContact O-CA 3.37Å; G67-F94 WeakPolarHBondContact O-CA 3.25Å; G67-F94 WeakPolarHBondContact O-CB 3.32Å; G67-K95 PolarHBondContact O-N 2.93Å
68I95.7Very high89.7Confident3 Ų381.7 Ų81.72%0.01538%0.376CS..EExtended strand (participates in β ladder)trans-120.8127.6-179.8-55.9179.3000110.9A34 V35 G36 I37 I66 I70 K95 F108 M112A34-I68 HydrophobicContact CB-CD1 3.73Å; A34-I68 HydrophobicContact CB-CG1 4.3Å; V35-I68 PolarHBondContact O-N 2.95Å; G36-I68 CarbonylContact C-O 3.57Å; G36-I68 WeakPolarHBondContact CA-O 3.44Å; I37-I68 PolarHBondContact N-O 3.42Å; I66-I68 HydrophobicContact CD1-CD1 3.87Å; I66-I68 HydrophobicContact CD1-CG1 4.1Å; I66-I68 HydrophobicContact CG1-CD1 4.25Å; I66-I68 HydrophobicContact CG1-CG1 4.19Å; I68-I70 HydrophobicContact CG2-CG1 4.11Å; I68-K95 CarbonylContact C-O 3.55Å; I68-K95 WeakPolarHBondContact CA-O 3.42Å; I68-F108 HydrophobicContact CD1-CE1 4.28Å; I68-F108 HydrophobicContact CD1-CZ 4.46Å; I68-F108 HydrophobicContact CG2-CE1 3.93Å; I68-F108 HydrophobicContact CG2-CZ 4.4Å; I68-M112 HydrophobicContact CD1-CE 4.12Å
69V95.5Very high89.6Confident0 Ų079.5 Ų79.50%037%0.373CS..EExtended strand (participates in β ladder)trans-113.1107.4176.1-1760000109I37 V39 V54 M57 V71 A88 F94 K95 T96 V97I37-V69 HydrophobicContact CD1-CG1 4.18Å; I37-V69 HydrophobicContact CD1-CG2 4.17Å; I37-V69 HydrophobicContact CG1-CB 4.32Å; I37-V69 HydrophobicContact CG1-CG1 4.09Å; I37-V69 HydrophobicContact CG1-CG2 4.08Å; V39-V69 HydrophobicContact CG2-CG1 4.06Å; V54-V69 HydrophobicContact CG2-CG1 4.25Å; V54-V69 HydrophobicContact CG2-CG2 4.06Å; M57-V69 HydrophobicContact CE-CG2 3.9Å; V69-V71 HydrophobicContact CG1-CG2 3.91Å; V69-A88 HydrophobicContact CB-CB 4.49Å; V69-A88 HydrophobicContact CG2-CB 3.98Å; V69-F94 HydrophobicContact CG2-CB 4.19Å; V69-F94 HydrophobicContact CG2-CD2 4.22Å; V69-K95 PolarHBondContact N-O 2.81Å; V69-T96 HydrophobicContact CB-CG2 4.18Å; V69-T96 CarbonylContact O-C 3.56Å; V69-T96 VanDerWaalsContact O-CA 3.31Å; V69-T96 WeakPolarHBondContact O-CA 3.44Å; V69-V97 PolarHBondContact O-N 3.43Å
70I95.2Very high89.5Confident1 Ų171.5 Ų71.51%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-90.8115.6174.3-54.6178.6000108.3F28 I37 F38 V39 I68 V97 V99 A105 F108 V109F28-I70 HydrophobicContact CE1-CD1 3.78Å; F28-I70 HydrophobicContact CE1-CG1 4.37Å; F28-I70 HydrophobicContact CZ-CD1 3.75Å; F28-I70 HydrophobicContact CZ-CG1 4.32Å; I37-I70 PolarHBondContact O-N 3.46Å; F38-I70 WeakPolarHBondContact CA-O 3.46Å; F38-I70 HydrophobicContact CD2-CB 3.96Å; F38-I70 HydrophobicContact CD2-CG2 3.64Å; F38-I70 HydrophobicContact CE2-CG2 3.93Å; V39-I70 PolarHBondContact N-O 3.31Å; I68-I70 HydrophobicContact CG2-CG1 4.11Å; I70-V97 CarbonylContact C-O 3.54Å; I70-V97 WeakPolarHBondContact CA-O 3.39Å; I70-V99 HydrophobicContact CG2-CB 4.49Å; I70-V99 HydrophobicContact CG2-CG1 3.88Å; I70-V99 HydrophobicContact CG2-CG2 3.76Å; I70-A105 HydrophobicContact CD1-CB 4.33Å; I70-A105 HydrophobicContact CG2-CB 3.85Å; I70-F108 HydrophobicContact CD1-CD1 3.85Å; I70-F108 HydrophobicContact CD1-CE1 4.33Å; I70-F108 HydrophobicContact CG1-CD1 4.42Å; I70-V109 HydrophobicContact CD1-CG2 3.71Å
71V93.7Very high89.4Confident0 Ų068.4 Ų68.40%033%0.333CS..EExtended strand (participates in β ladder)trans-105.8120.4-179.4-1690000109.8V39 V69 R73 F81 L84 V97 S98 V99V39-V71 HydrophobicContact CG2-CB 4.47Å; V39-V71 HydrophobicContact CG2-CG1 4.41Å; V39-V71 HydrophobicContact CG2-CG2 4.03Å; V39-V71 CarbonylContact O-C 3.52Å; V39-V71 WeakPolarHBondContact O-CA 3.41Å; V69-V71 HydrophobicContact CG1-CG2 3.91Å; V71-R73 PolarHBondContact O-N 3.17Å; V71-F81 HydrophobicContact CB-CD2 4.06Å; V71-F81 HydrophobicContact CB-CE2 3.93Å; V71-F81 HydrophobicContact CG1-CD2 3.77Å; V71-F81 HydrophobicContact CG1-CE2 4.17Å; V71-F81 HydrophobicContact CG2-CD2 4.47Å; V71-F81 HydrophobicContact CG2-CE2 4.24Å; V71-L84 HydrophobicContact CG1-CD2 4.23Å; V71-L84 HydrophobicContact CG2-CD2 3.79Å; V71-V97 PolarHBondContact N-O 2.85Å; V71-S98 CarbonylContact O-C 3.54Å; V71-S98 WeakPolarHBondContact O-CA 3.4Å; V71-V99 PolarHBondContact O-N 3.01Å
72R91.7Very high89.4Confident68 Ų6870.9 Ų70.926%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-76.3110.9170.8-174.4179.7178.8170.9-1.6109.6M1 F38 V39 A40 V99M1-R72 PolarHBondContact SD-NH1 3.32Å; F38-R72 HydrophobicContact CE1-CB 4.36Å; F38-R72 HydrophobicContact CE2-CB 4.38Å; F38-R72 HydrophobicContact CZ-CB 3.79Å; F38-R72 HydrophobicContact CZ-CG 4.38Å; V39-R72 PolarHBondContact O-N 3.16Å; A40-R72 HydrophobicContact CB-CB 4.3Å; R72-V99 CarbonylContact C-O 3.55Å; R72-V99 WeakPolarHBondContact CA-O 3.33Å; R72-V99 HydrophobicContact CB-CG2 4.43Å
73R88.5Confident89.6Confident115 Ų11572.5 Ų72.543%0.43434%0.343SS..  trans-79.2125.1177.4-160.8171.2-174.6172.7-0.6110.8V71 D77 V99V71-R73 PolarHBondContact O-N 3.17Å; R73-D77 VanDerWaalsContact CA-OD2 3.28Å; R73-D77 WeakPolarHBondContact CA-OD2 3.48Å; R73-D77 WeakPolarHBondContact CG-OD1 3.46Å; R73-V99 PolarHBondContact N-O 2.95Å
74L83.6Confident89.8Confident62 Ų6263.9 Ų63.933%0.32530%0.297SS..  trans-114170.9177.5-66.6172.8000110.3N42 N76 D77N42-L74 HydrophobicContact CB-CD1 3.9Å; L74-N76 PolarHBondContact O-N 2.75Å; L74-D77 PolarHBondContact N-OD2 3.28Å
75R81.8Confident90.1Very high238 Ų23859.8 Ų59.890%0.89828%0.278SS*.THydrogen-bonded Turntrans-66.2134.5175.2-64.9-177.1-179.7175.4-0.3108.6
76N82Confident90.3Very high170 Ų17063.5 Ų63.591%0.90929%0.294SS*.THydrogen-bonded Turntrans67.929.3175.2-50.9-25.1000116.4L74L74-N76 PolarHBondContact O-N 2.75Å
77D85.7Confident90.4Very high4 Ų461.5 Ų61.52%0.02128%0.282CS..  trans-104.66179.170.4-8.9000114.8C41 R73 L74 E79 N80 F81C41-D77 WeakPolarHBondContact O-CB 3.49Å; R73-D77 VanDerWaalsContact CA-OD2 3.28Å; R73-D77 WeakPolarHBondContact CA-OD2 3.48Å; R73-D77 WeakPolarHBondContact CG-OD1 3.46Å; L74-D77 PolarHBondContact N-OD2 3.28Å; D77-E79 VanDerWaalsContact C-N 3.33Å; D77-E79 PolarHBondContact O-N 3.35Å; D77-N80 PolarHBondContact O-N 3.04Å; D77-F81 WeakPolarHBondContact O-CB 3.17Å; D77-F81 PolarHBondContact O-N 2.9Å
78A86.6Confident90.4Very high45 Ų4561.3 Ų61.337%0.37228%0.28SS..Hα-helixtrans-54.5-43.6-165.900000113.8F81 I82A78-F81 PolarHBondContact O-N 3.41Å; A78-I82 VanDerWaalsContact O-CG1 3.24Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 2.9Å
79E89.3Confident90.3Very high115 Ų11563.9 Ų63.954%0.53730%0.296SS..Hα-helixtrans-66.6-43.2179.4-171.8-176.3170.400112.1D77 F81 I82 R83D77-E79 VanDerWaalsContact C-N 3.33Å; D77-E79 PolarHBondContact O-N 3.35Å; E79-F81 VanDerWaalsContact C-N 3.35Å; E79-I82 PolarHBondContact O-N 3.38Å; E79-R83 WeakPolarHBondContact O-CB 3.47Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 2.75Å; E79-R83 IonicContact OE1-CZ 2.96Å; E79-R83 IonicContact OE1-NE 2.66Å; E79-R83 IonicContact OE1-NH1 2.67Å; E79-R83 PolarHBondContact OE1-NH1 3.25Å; E79-R83 IonicContact OE1-NH2 3.9Å; E79-R83 PolarHBondContact OE1-NH2 3.19Å
80N89.3Confident90.2Very high29 Ų2969.9 Ų69.916%0.15533%0.327CS..Hα-helixtrans-66.2-40.3176.7-71.5-35.3000111.2C41 D77 R83 L84C41-N80 HydrophobicContact CB-CB 4.22Å; D77-N80 PolarHBondContact O-N 3.04Å; N80-R83 PolarHBondContact O-N 2.98Å; N80-L84 WeakPolarHBondContact O-CB 3.24Å; N80-L84 PolarHBondContact O-N 3.36Å
81F89.9Confident90Very high17 Ų1774.8 Ų74.88%0.07535%0.353CS..Hα-helixtrans-60.5-50.1175.3174.6-102.1000111.6V71 D77 A78 E79 R83 L84 Q85V71-F81 HydrophobicContact CB-CD2 4.06Å; V71-F81 HydrophobicContact CB-CE2 3.93Å; V71-F81 HydrophobicContact CG1-CD2 3.77Å; V71-F81 HydrophobicContact CG1-CE2 4.17Å; V71-F81 HydrophobicContact CG2-CD2 4.47Å; V71-F81 HydrophobicContact CG2-CE2 4.24Å; D77-F81 WeakPolarHBondContact O-CB 3.17Å; D77-F81 PolarHBondContact O-N 2.9Å; A78-F81 PolarHBondContact O-N 3.41Å; E79-F81 VanDerWaalsContact C-N 3.35Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.03Å; F81-L84 PolarHBondContact O-N 3.13Å; F81-Q85 VanDerWaalsContact O-CB 3.27Å; F81-Q85 WeakPolarHBondContact O-CB 3.2Å; F81-Q85 PolarHBondContact O-N 3.49Å
82I90.5Very high89.9Confident85 Ų8577.1 Ų77.144%0.43636%0.363SS..Hα-helixtrans-59.1-45.3178.1-69.7164.7000110.4A78 E79 L84 Q85 Q86A78-I82 VanDerWaalsContact O-CG1 3.24Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 2.9Å; E79-I82 PolarHBondContact O-N 3.38Å; I82-L84 PolarHBondContact O-N 3.06Å; I82-Q85 PolarHBondContact O-N 3.36Å; I82-Q86 HydrophobicContact CG2-CG 4.34Å; I82-Q86 WeakPolarHBondContact O-CB 3.43Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.34Å; I82-Q86 PolarHBondContact O-N 2.81Å
83R91.4Very high90Very high129 Ų12976.4 Ų76.449%0.48738%0.377SS..Hα-helixtrans-61.7-44.2178.1-75.9176.7171.4151.65.2112.6E79 N80 F81 F87E79-R83 WeakPolarHBondContact O-CB 3.47Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.4Å; E79-R83 PolarHBondContact O-N 2.75Å; E79-R83 IonicContact OE1-CZ 2.96Å; E79-R83 IonicContact OE1-NE 2.66Å; E79-R83 IonicContact OE1-NH1 2.67Å; E79-R83 PolarHBondContact OE1-NH1 3.25Å; E79-R83 IonicContact OE1-NH2 3.9Å; E79-R83 PolarHBondContact OE1-NH2 3.19Å; N80-R83 PolarHBondContact O-N 2.98Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.03Å; R83-F87 VanDerWaalsContact O-CB 3.3Å; R83-F87 WeakPolarHBondContact O-CB 3.42Å; R83-F87 PolarHBondContact O-N 3.15Å
84L92.3Very high90.3Very high0 Ų071.3 Ų71.30%036%0.358CS..Hα-helixtrans-67.4-42.3177.5-179.466.3000111.2V39 C41 A50 R51 V54 V71 N80 F81 I82 F87 A88V39-L84 HydrophobicContact CG2-CD2 3.7Å; C41-L84 WeakPolarHBondContact SG-CD2 3.19Å; A50-L84 HydrophobicContact CB-CD1 4.1Å; A50-L84 HydrophobicContact CB-CD2 4.07Å; R51-L84 HydrophobicContact CG-CD1 3.85Å; V54-L84 HydrophobicContact CG2-CD1 3.98Å; V71-L84 HydrophobicContact CG1-CD2 4.23Å; V71-L84 HydrophobicContact CG2-CD2 3.79Å; N80-L84 WeakPolarHBondContact O-CB 3.24Å; N80-L84 PolarHBondContact O-N 3.36Å; F81-L84 PolarHBondContact O-N 3.13Å; I82-L84 PolarHBondContact O-N 3.06Å; L84-F87 PolarHBondContact O-N 2.87Å; L84-A88 WeakPolarHBondContact O-CB 3.29Å; L84-A88 PolarHBondContact O-N 3.41Å
85Q92.8Very high90.8Very high74 Ų7474.9 Ų74.935%0.34637%0.371SS..Hα-helixtrans-61.4-49.6178.4179.4-177.7-13.300110.8F81 I82 F87 A88 T89 T96F81-Q85 VanDerWaalsContact O-CB 3.27Å; F81-Q85 WeakPolarHBondContact O-CB 3.2Å; F81-Q85 PolarHBondContact O-N 3.49Å; I82-Q85 PolarHBondContact O-N 3.36Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 2.63Å; Q85-A88 PolarHBondContact O-N 3.4Å; Q85-T89 WeakPolarHBondContact O-CB 3.38Å; Q85-T89 PolarHBondContact O-N 3.04Å; Q85-T89 PolarHBondContact O-OG1 3.49Å; Q85-T96 HydrophobicContact CG-CG2 4.27Å
86Q93.8Very high91.4Very high102 Ų10265.1 Ų65.148%0.47734%0.338SS..Hα-helixtrans-56.6-46.5175.1-75.4175.6-19.900110.8I82 A88 I90I82-Q86 HydrophobicContact CG2-CG 4.34Å; I82-Q86 WeakPolarHBondContact O-CB 3.43Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.34Å; I82-Q86 PolarHBondContact O-N 2.81Å; Q86-A88 PolarHBondContact O-N 3.03Å; Q86-I90 HydrophobicContact CB-CD1 4.13Å; Q86-I90 HydrophobicContact CG-CD1 4.1Å; Q86-I90 WeakPolarHBondContact O-CA 3.27Å; Q86-I90 WeakPolarHBondContact O-CB 3.48Å; Q86-I90 PolarHBondContact O-N 3.25Å
87F94.1Very high91.9Very high30 Ų3058.9 Ų58.913%0.13231%0.306CS..Hα-helixtrans-60.6-46177.9-176.3-106.5000112.7R51 V54 R83 L84 Q85 N91 F92R51-F87 HydrophobicContact CB-CD1 4.11Å; R51-F87 HydrophobicContact CB-CE1 3.82Å; R51-F87 HydrophobicContact CB-CZ 4.39Å; R51-F87 HydrophobicContact CG-CD1 3.87Å; R51-F87 HydrophobicContact CG-CE1 4.1Å; R51-F87 HydrophobicContact CG-CG 4.36Å; R51-F87 WeakPolarHBondContact O-CE1 3.47Å; V54-F87 HydrophobicContact CB-CD1 4.24Å; V54-F87 HydrophobicContact CB-CE1 4.05Å; V54-F87 HydrophobicContact CG1-CD1 3.9Å; V54-F87 HydrophobicContact CG1-CE1 3.87Å; R83-F87 VanDerWaalsContact O-CB 3.3Å; R83-F87 WeakPolarHBondContact O-CB 3.42Å; R83-F87 PolarHBondContact O-N 3.15Å; L84-F87 PolarHBondContact O-N 2.87Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 2.63Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.32Å; F87-N91 VanDerWaalsContact O-CB 3.25Å; F87-N91 WeakPolarHBondContact O-CB 3.14Å; F87-N91 PolarHBondContact O-N 2.96Å; F87-F92 HydrophobicContact CD1-CE2 4.01Å; F87-F92 HydrophobicContact CD2-CE2 4.4Å; F87-F92 HydrophobicContact CE1-CD2 4.34Å; F87-F92 AromaticContact CE1-CE2 3.48Å; F87-F92 HydrophobicContact CE1-CE2 3.48Å; F87-F92 VanDerWaalsContact CE1-CE2 3.48Å; F87-F92 HydrophobicContact CE1-CZ 4.3Å; F87-F92 AromaticContact CE2-CE2 3.91Å; F87-F92 HydrophobicContact CE2-CE2 3.91Å; F87-F92 HydrophobicContact CE2-CZ 4.49Å; F87-F92 HydrophobicContact CG-CE2 4.45Å; F87-F92 AromaticContact CZ-CE2 3.44Å; F87-F92 HydrophobicContact CZ-CE2 3.44Å; F87-F92 VanDerWaalsContact CZ-CE2 3.44Å; F87-F92 AromaticContact CZ-CZ 3.95Å; F87-F92 HydrophobicContact CZ-CZ 3.95Å; F87-F92 WeakPolarHBondContact O-CD2 3.47Å
88A94.4Very high92.2Very high0 Ų061.5 Ų61.50%032%0.324CS..Hα-helixtrans-71.9-44.7-178.800000112.8V54 V69 L84 Q85 Q86 F92 G93 F94 T96V54-A88 HydrophobicContact CG1-CB 4.09Å; V54-A88 HydrophobicContact CG2-CB 4.42Å; V69-A88 HydrophobicContact CB-CB 4.49Å; V69-A88 HydrophobicContact CG2-CB 3.98Å; L84-A88 WeakPolarHBondContact O-CB 3.29Å; L84-A88 PolarHBondContact O-N 3.41Å; Q85-A88 PolarHBondContact O-N 3.4Å; Q86-A88 PolarHBondContact O-N 3.03Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 3.38Å; A88-G93 PolarHBondContact O-N 3.05Å; A88-F94 PolarHBondContact O-N 3.17Å; A88-T96 HydrophobicContact CB-CG2 3.59Å
89T94.1Very high92.5Very high58 Ų5859.6 Ų59.636%0.35631%0.308SS..Hα-helixtrans-81.1-46.7-174.4-590000112.4Q85 G93 F94 T96Q85-T89 WeakPolarHBondContact O-CB 3.38Å; Q85-T89 PolarHBondContact O-N 3.04Å; Q85-T89 PolarHBondContact O-OG1 3.49Å; T89-G93 WeakPolarHBondContact O-CA 3.38Å; T89-G93 PolarHBondContact O-N 3.47Å; T89-F94 WeakPolarHBondContact CA-O 3.19Å; T89-F94 PolarHBondContact OG1-O 3.34Å; T89-T96 WeakPolarHBondContact OG1-CG2 3.32Å; T89-T96 PolarHBondContact OG1-OG1 2.86Å
90I93.2Very high92.5Very high126 Ų12657.7 Ų57.765%0.64630%0.304SS*.Hα-helixtrans-79.4-48.1-175.2-56.8174.9000110.1Q86Q86-I90 HydrophobicContact CB-CD1 4.13Å; Q86-I90 HydrophobicContact CG-CD1 4.1Å; Q86-I90 WeakPolarHBondContact O-CA 3.27Å; Q86-I90 WeakPolarHBondContact O-CB 3.48Å; Q86-I90 PolarHBondContact O-N 3.25Å
91N91.7Very high92.4Very high104 Ų10461.5 Ų61.556%0.55632%0.321SS*.Hα-helixtrans-80.4-26.6-172.4-57.67.2000113.3F87F87-N91 WeakPolarHBondContact CD2-ND2 3.32Å; F87-N91 VanDerWaalsContact O-CB 3.25Å; F87-N91 WeakPolarHBondContact O-CB 3.14Å; F87-N91 PolarHBondContact O-N 2.96Å
92F92.2Very high92.4Very high49 Ų4961 Ų6122%0.21532%0.32CS..Hα-helixtrans-122.2-7.6-176.5-60.4-77.7000114.8V54 A55 R58 F87 A88 F94V54-F92 HydrophobicContact CG1-CD2 3.66Å; V54-F92 HydrophobicContact CG1-CE2 3.91Å; V54-F92 HydrophobicContact CG1-CG 4.47Å; A55-F92 HydrophobicContact CB-CZ 4.11Å; R58-F92 HydrophobicContact CB-CD1 4.27Å; R58-F92 HydrophobicContact CB-CE1 4.44Å; R58-F92 HydrophobicContact CG-CD1 4.2Å; F87-F92 HydrophobicContact CD1-CE2 4.01Å; F87-F92 HydrophobicContact CD2-CE2 4.4Å; F87-F92 HydrophobicContact CE1-CD2 4.34Å; F87-F92 AromaticContact CE1-CE2 3.48Å; F87-F92 HydrophobicContact CE1-CE2 3.48Å; F87-F92 VanDerWaalsContact CE1-CE2 3.48Å; F87-F92 HydrophobicContact CE1-CZ 4.3Å; F87-F92 AromaticContact CE2-CE2 3.91Å; F87-F92 HydrophobicContact CE2-CE2 3.91Å; F87-F92 HydrophobicContact CE2-CZ 4.49Å; F87-F92 HydrophobicContact CG-CE2 4.45Å; F87-F92 AromaticContact CZ-CE2 3.44Å; F87-F92 HydrophobicContact CZ-CE2 3.44Å; F87-F92 VanDerWaalsContact CZ-CE2 3.44Å; F87-F92 AromaticContact CZ-CZ 3.95Å; F87-F92 HydrophobicContact CZ-CZ 3.95Å; F87-F92 WeakPolarHBondContact O-CD2 3.47Å; A88-F92 WeakPolarHBondContact O-CB 3.48Å; A88-F92 PolarHBondContact O-N 3.38Å; F92-F94 HydrophobicContact CB-CD1 4.08Å; F92-F94 HydrophobicContact CB-CD2 3.62Å; F92-F94 HydrophobicContact CB-CE1 3.92Å; F92-F94 HydrophobicContact CB-CE2 3.46Å; F92-F94 VanDerWaalsContact CB-CE2 3.46Å; F92-F94 HydrophobicContact CB-CG 3.92Å; F92-F94 HydrophobicContact CB-CZ 3.61Å; F92-F94 HydrophobicContact CD1-CE2 4.38Å; F92-F94 HydrophobicContact CD1-CZ 4.36Å; F92-F94 HydrophobicContact CD2-CE2 4.37Å; F92-F94 HydrophobicContact CG-CD2 4.31Å; F92-F94 AromaticContact CG-CE2 3.84Å; F92-F94 HydrophobicContact CG-CE2 3.84Å; F92-F94 HydrophobicContact CG-CZ 4.14Å; F92-F94 WeakPolarHBondContact O-CD1 3.42Å; F92-F94 PolarHBondContact O-N 3.26Å
93G92.4Very high92.3Very high52 Ų5260.5 Ų60.554%0.53632%0.316SS..  trans70.811.8-177.500000114.3A88 T89A88-G93 PolarHBondContact O-N 3.05Å; T89-G93 WeakPolarHBondContact O-CA 3.38Å; T89-G93 PolarHBondContact O-N 3.47Å
94F95.3Very high92.2Very high8 Ų858.2 Ų58.24%0.03531%0.311CS..  trans-74.3149.3-179.6-58.7-25.7000111.9V54 M57 R58 T61 G67 V69 A88 T89 F92V54-F94 HydrophobicContact CG1-CD2 3.95Å; V54-F94 HydrophobicContact CG1-CE2 3.98Å; V54-F94 WeakPolarHBondContact O-CE2 3.3Å; M57-F94 HydrophobicContact CE-CB 4.39Å; M57-F94 HydrophobicContact CE-CD1 4.19Å; M57-F94 HydrophobicContact CE-CD2 3.22Å; M57-F94 HydrophobicContact CE-CE1 4.29Å; M57-F94 HydrophobicContact CE-CE2 3.35Å; M57-F94 HydrophobicContact CE-CG 3.68Å; M57-F94 HydrophobicContact CE-CZ 3.91Å; R58-F94 HydrophobicContact CB-CZ 3.97Å; R58-F94 HydrophobicContact CG-CZ 4.45Å; T61-F94 HydrophobicContact CG2-CD1 4.33Å; T61-F94 HydrophobicContact CG2-CE1 3.64Å; T61-F94 HydrophobicContact CG2-CZ 4.14Å; G67-F94 WeakPolarHBondContact O-CA 3.25Å; G67-F94 WeakPolarHBondContact O-CB 3.32Å; V69-F94 HydrophobicContact CG2-CB 4.19Å; V69-F94 HydrophobicContact CG2-CD2 4.22Å; A88-F94 PolarHBondContact O-N 3.17Å; T89-F94 WeakPolarHBondContact CA-O 3.19Å; T89-F94 PolarHBondContact OG1-O 3.34Å; F92-F94 HydrophobicContact CB-CD1 4.08Å; F92-F94 HydrophobicContact CB-CD2 3.62Å; F92-F94 HydrophobicContact CB-CE1 3.92Å; F92-F94 HydrophobicContact CB-CE2 3.46Å; F92-F94 VanDerWaalsContact CB-CE2 3.46Å; F92-F94 HydrophobicContact CB-CG 3.92Å; F92-F94 HydrophobicContact CB-CZ 3.61Å; F92-F94 HydrophobicContact CD1-CE2 4.38Å; F92-F94 HydrophobicContact CD1-CZ 4.36Å; F92-F94 HydrophobicContact CD2-CE2 4.37Å; F92-F94 HydrophobicContact CG-CD2 4.31Å; F92-F94 AromaticContact CG-CE2 3.84Å; F92-F94 HydrophobicContact CG-CE2 3.84Å; F92-F94 HydrophobicContact CG-CZ 4.14Å; F92-F94 WeakPolarHBondContact O-CD1 3.42Å; F92-F94 PolarHBondContact O-N 3.26Å
95K94Very high92.2Very high137 Ų13758.2 Ų58.260%0.59631%0.311SS*.EExtended strand (participates in β ladder)trans-83.4124.6175.3-55.8-53.8-177.4-171.50109.3G67 I68 V69G67-K95 PolarHBondContact O-N 2.93Å; I68-K95 CarbonylContact C-O 3.55Å; I68-K95 WeakPolarHBondContact CA-O 3.42Å; V69-K95 PolarHBondContact N-O 2.81Å
96T93.6Very high92Very high33 Ų3354.7 Ų54.720%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-105.3132.6-18053.60000110.3V69 Q85 A88 T89V69-T96 HydrophobicContact CB-CG2 4.18Å; V69-T96 CarbonylContact O-C 3.56Å; V69-T96 VanDerWaalsContact O-CA 3.31Å; V69-T96 WeakPolarHBondContact O-CA 3.44Å; Q85-T96 HydrophobicContact CG-CG2 4.27Å; A88-T96 HydrophobicContact CB-CG2 3.59Å; T89-T96 WeakPolarHBondContact OG1-CG2 3.32Å; T89-T96 PolarHBondContact OG1-OG1 2.86Å
97V93.4Very high91.7Very high39 Ų3953.3 Ų53.324%0.23629%0.29CS..EExtended strand (participates in β ladder)trans-126.1122.2177.4-178.90000109.1V69 I70 V71 V99 F108V69-V97 PolarHBondContact O-N 3.43Å; I70-V97 CarbonylContact C-O 3.54Å; I70-V97 WeakPolarHBondContact CA-O 3.39Å; V71-V97 PolarHBondContact N-O 2.85Å; V97-V99 HydrophobicContact CG1-CG1 4.34Å; V97-F108 HydrophobicContact CG1-CD2 4.38Å; V97-F108 HydrophobicContact CG1-CE2 4.49Å; V97-F108 HydrophobicContact CG2-CE1 4.18Å; V97-F108 HydrophobicContact CG2-CE2 3.92Å; V97-F108 HydrophobicContact CG2-CZ 3.7Å
98S92.2Very high91.5Very high59 Ų5954.6 Ų54.641%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-87.9134.2173.963.40000111V71V71-S98 CarbonylContact O-C 3.54Å; V71-S98 WeakPolarHBondContact O-CA 3.4Å
99V92.4Very high91.2Very high5 Ų555.7 Ų55.73%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-129148.9175.1-62.10000110.3F38 I70 V71 R72 R73 V97 Q104 A105F38-V99 HydrophobicContact CE2-CG2 3.95Å; I70-V99 HydrophobicContact CG2-CB 4.49Å; I70-V99 HydrophobicContact CG2-CG1 3.88Å; I70-V99 HydrophobicContact CG2-CG2 3.76Å; V71-V99 PolarHBondContact O-N 3.01Å; R72-V99 CarbonylContact C-O 3.55Å; R72-V99 WeakPolarHBondContact CA-O 3.33Å; R72-V99 HydrophobicContact CB-CG2 4.43Å; R73-V99 PolarHBondContact N-O 2.95Å; V97-V99 HydrophobicContact CG1-CG1 4.34Å; V99-Q104 HydrophobicContact CB-CB 4.07Å; V99-Q104 HydrophobicContact CG1-CB 3.99Å; V99-A105 HydrophobicContact CG1-CB 4.31Å; V99-A105 HydrophobicContact CG2-CB 4.22Å
100T89.9Confident90.8Very high76 Ų7654 Ų5447%0.46629%0.291SS..SBendtrans-93.6-27.9173.556.40000112.3Q104T100-Q104 VanDerWaalsContact N-OE1 3.09Å; T100-Q104 PolarHBondContact OG1-NE2 3.44Å; T100-Q104 VanDerWaalsContact OG1-NE2 3.07Å; T100-Q104 PolarHBondContact OG1-OE1 3.42Å
101Q87.6Confident90.3Very high108 Ų10851.5 Ų51.551%0.50528%0.282SS..SBendtrans-130.9155.3-175-59.9-175.237.700111.2E103 Q104Q101-E103 VanDerWaalsContact C-N 3.26Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.43Å; Q101-E103 PolarHBondContact O-N 3.35Å; Q101-Q104 PolarHBondContact O-N 3.07Å
102A88.4Confident90Very high6 Ų647.5 Ų47.55%0.0526%0.26CS..Hα-helixtrans-68.8-29.1-177.300000112L4 I5 Q104 A105 A106L4-A102 HydrophobicContact CD2-CB 4.06Å; I5-A102 HydrophobicContact CG1-CB 4Å; A102-Q104 VanDerWaalsContact C-N 3.3Å; A102-Q104 PolarHBondContact O-N 3.48Å; A102-A105 WeakPolarHBondContact O-CB 3.32Å; A102-A105 PolarHBondContact O-N 3.27Å; A102-A106 PolarHBondContact O-N 3.27Å
103E88.3Confident89.5Confident75 Ų7546.7 Ų46.735%0.3526%0.263SS..Hα-helixtrans-63.6-36.5177.8-66.370.5-159.700111.2Q101 A106 N107Q101-E103 VanDerWaalsContact C-N 3.26Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.43Å; Q101-E103 PolarHBondContact O-N 3.35Å; E103-A106 PolarHBondContact O-N 2.85Å; E103-N107 WeakPolarHBondContact O-CB 3.31Å; E103-N107 PolarHBondContact O-N 3.05Å; E103-N107 PolarHBondContact O-ND2 3.35Å
104Q91Very high88.8Confident81 Ų8145.3 Ų45.338%0.37925%0.245SC..Hα-helixtrans-66.6-41.7174.4-67.2173.78.100111.1V99 T100 Q101 A102 A106 N107 F108V99-Q104 HydrophobicContact CB-CB 4.07Å; V99-Q104 HydrophobicContact CG1-CB 3.99Å; T100-Q104 VanDerWaalsContact N-OE1 3.09Å; T100-Q104 PolarHBondContact OG1-NE2 3.44Å; T100-Q104 VanDerWaalsContact OG1-NE2 3.07Å; T100-Q104 PolarHBondContact OG1-OE1 3.42Å; Q101-Q104 PolarHBondContact O-N 3.07Å; A102-Q104 VanDerWaalsContact C-N 3.3Å; A102-Q104 PolarHBondContact O-N 3.48Å; Q104-A106 VanDerWaalsContact C-N 3.35Å; Q104-N107 PolarHBondContact O-N 2.91Å; Q104-F108 VanDerWaalsContact O-CB 3.32Å; Q104-F108 WeakPolarHBondContact O-CB 3.34Å; Q104-F108 PolarHBondContact O-N 3.39Å
105A91.2Very high87.3Confident0 Ų050.2 Ų50.20%028%0.277CS..Hα-helixtrans-62.7-43174.200000111.6I5 F38 I70 V99 A102 F108 V109I5-A105 HydrophobicContact CD1-CB 4.13Å; F38-A105 HydrophobicContact CD2-CB 3.92Å; F38-A105 HydrophobicContact CE2-CB 3.67Å; I70-A105 HydrophobicContact CD1-CB 4.33Å; I70-A105 HydrophobicContact CG2-CB 3.85Å; V99-A105 HydrophobicContact CG1-CB 4.31Å; V99-A105 HydrophobicContact CG2-CB 4.22Å; A102-A105 WeakPolarHBondContact O-CB 3.32Å; A102-A105 PolarHBondContact O-N 3.27Å; A105-F108 PolarHBondContact O-N 3.03Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.48Å
106A88.6Confident85.4Confident0 Ų049.9 Ų49.90%028%0.281CS..Hα-helixtrans-60.3-53.2176.700000111I5 V8 A102 E103 Q104 F108 V109 L110I5-A106 HydrophobicContact CG2-CB 3.95Å; V8-A106 HydrophobicContact CB-CB 4Å; V8-A106 HydrophobicContact CG1-CB 3.72Å; A102-A106 PolarHBondContact O-N 3.27Å; E103-A106 PolarHBondContact O-N 2.85Å; Q104-A106 VanDerWaalsContact C-N 3.35Å; A106-F108 VanDerWaalsContact C-N 3.29Å; A106-F108 PolarHBondContact O-N 3.29Å; A106-V109 PolarHBondContact O-N 2.81Å; A106-L110 WeakPolarHBondContact O-CB 3.38Å; A106-L110 WeakPolarHBondContact O-CG 3.28Å; A106-L110 PolarHBondContact O-N 2.81Å
107N88.1Confident83.4Confident73 Ų7350 Ų5039%0.3928%0.28SS..Hα-helixtrans-57.7-41.9178.1-72.4-18.6000111.9E103 Q104 L110 T111E103-N107 WeakPolarHBondContact O-CB 3.31Å; E103-N107 PolarHBondContact O-N 3.05Å; E103-N107 PolarHBondContact O-ND2 3.35Å; Q104-N107 PolarHBondContact O-N 2.91Å; N107-L110 WeakPolarHBondContact O-CB 3.5Å; N107-L110 PolarHBondContact O-N 2.8Å; N107-T111 PolarHBondContact O-N 3.31Å; N107-T111 PolarHBondContact O-OG1 3.33Å
108F89.5Confident81.3Confident58 Ų5852 Ų5225%0.25430%0.301SS..Hα-helixtrans-59.9-48.9176.5174.7-94000112.3I68 I70 V97 Q104 A105 A106 L110 T111 M112I68-F108 HydrophobicContact CD1-CE1 4.28Å; I68-F108 HydrophobicContact CD1-CZ 4.46Å; I68-F108 HydrophobicContact CG2-CE1 3.93Å; I68-F108 HydrophobicContact CG2-CZ 4.4Å; I70-F108 HydrophobicContact CD1-CD1 3.85Å; I70-F108 HydrophobicContact CD1-CE1 4.33Å; I70-F108 HydrophobicContact CG1-CD1 4.42Å; V97-F108 HydrophobicContact CG1-CD2 4.38Å; V97-F108 HydrophobicContact CG1-CE2 4.49Å; V97-F108 HydrophobicContact CG2-CE1 4.18Å; V97-F108 HydrophobicContact CG2-CE2 3.92Å; V97-F108 HydrophobicContact CG2-CZ 3.7Å; Q104-F108 VanDerWaalsContact O-CB 3.32Å; Q104-F108 WeakPolarHBondContact O-CB 3.34Å; Q104-F108 PolarHBondContact O-N 3.39Å; A105-F108 PolarHBondContact O-N 3.03Å; A106-F108 VanDerWaalsContact C-N 3.29Å; A106-F108 PolarHBondContact O-N 3.29Å; F108-L110 VanDerWaalsContact C-N 3.29Å; F108-L110 PolarHBondContact O-N 2.87Å; F108-T111 PolarHBondContact O-N 2.83Å; F108-M112 HydrophobicContact CD1-CG 4.47Å; F108-M112 HydrophobicContact CE1-CG 3.95Å; F108-M112 HydrophobicContact CE2-CG 4.29Å; F108-M112 HydrophobicContact CZ-CG 3.85Å; F108-M112 HydrophobicContact CZ-SD 4.34Å; F108-M112 WeakPolarHBondContact O-CG 3.43Å; F108-M112 PolarHBondContact O-N 3.03Å
109V88.5Confident79.2Confident22 Ų2256.1 Ų56.113%0.13331%0.313CS..Hα-helixtrans-62.3-38.8177.1173.70000111F28 I30 I70 A105 A106 M112 A113F28-V109 HydrophobicContact CD1-CG2 4.38Å; F28-V109 HydrophobicContact CD2-CG1 4.11Å; F28-V109 HydrophobicContact CD2-CG2 4.21Å; F28-V109 HydrophobicContact CE1-CG2 4.06Å; F28-V109 HydrophobicContact CE2-CG1 4.39Å; F28-V109 HydrophobicContact CE2-CG2 3.87Å; F28-V109 HydrophobicContact CG-CG2 4.45Å; F28-V109 HydrophobicContact CZ-CG2 3.78Å; I30-V109 HydrophobicContact CD1-CG1 4.39Å; I70-V109 HydrophobicContact CD1-CG2 3.71Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.48Å; A106-V109 PolarHBondContact O-N 2.81Å; V109-M112 PolarHBondContact O-N 2.87Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 2.79Å
110L84.6Confident77.1Confident23 Ų2362.5 Ų62.512%0.1234%0.344CS..Hα-helixtrans-64.9-43.8176.8-71178.6000112.7A9 K12 F13 A106 N107 F108 M112 A113 S114A9-L110 HydrophobicContact CB-CD2 3.82Å; A9-L110 HydrophobicContact CB-CG 4.3Å; K12-L110 HydrophobicContact CB-CD1 4Å; F13-L110 HydrophobicContact CB-CD2 3.46Å; F13-L110 VanDerWaalsContact CB-CD2 3.46Å; F13-L110 HydrophobicContact CD2-CD2 3.5Å; F13-L110 VanDerWaalsContact CD2-CD2 3.5Å; F13-L110 HydrophobicContact CE2-CD2 4.36Å; F13-L110 HydrophobicContact CG-CD2 3.59Å; A106-L110 WeakPolarHBondContact O-CB 3.38Å; A106-L110 WeakPolarHBondContact O-CG 3.28Å; A106-L110 PolarHBondContact O-N 2.81Å; N107-L110 WeakPolarHBondContact O-CB 3.5Å; N107-L110 PolarHBondContact O-N 2.8Å; F108-L110 VanDerWaalsContact C-N 3.29Å; F108-L110 PolarHBondContact O-N 2.87Å; L110-M112 VanDerWaalsContact C-N 3.33Å; L110-A113 PolarHBondContact O-N 3.3Å; L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.49Å
111T84.1Confident75.1Confident73 Ų7364.6 Ų64.645%0.44835%0.352SS..Hα-helixtrans-59.7-48.8175.4-53.20000109.1N107 F108 A113 S114 H117N107-T111 PolarHBondContact O-N 3.31Å; N107-T111 PolarHBondContact O-OG1 3.33Å; F108-T111 PolarHBondContact O-N 2.83Å; T111-A113 VanDerWaalsContact C-N 3.31Å; T111-A113 PolarHBondContact O-N 3.39Å; T111-S114 WeakPolarHBondContact O-CB 3.32Å; T111-S114 PolarHBondContact O-N 3.44Å; T111-S114 PolarHBondContact O-OG 2.87Å; T111-H117 VanDerWaalsContact C-CD2 3.49Å; T111-H117 WeakPolarHBondContact CG2-NE2 3.44Å; T111-H117 PolarHBondContact O-CD2 2.95Å; T111-H117 VanDerWaalsContact O-CD2 3.22Å
112M84.9Confident72.8Confident20 Ų2064.7 Ų64.710%0.09936%0.363CS..Hα-helixtrans-58.6-37.1177.1-73.1-64.1-55.400113.8I30 I33 I66 I68 F108 V109 L110 S114I30-M112 HydrophobicContact CD1-CB 3.46Å; I30-M112 VanDerWaalsContact CD1-CB 3.46Å; I33-M112 HydrophobicContact CG2-CE 4.34Å; I66-M112 HydrophobicContact CD1-CE 3.95Å; I68-M112 HydrophobicContact CD1-CE 4.12Å; F108-M112 HydrophobicContact CD1-CG 4.47Å; F108-M112 HydrophobicContact CE1-CG 3.95Å; F108-M112 HydrophobicContact CE2-CG 4.29Å; F108-M112 HydrophobicContact CZ-CG 3.85Å; F108-M112 HydrophobicContact CZ-SD 4.34Å; F108-M112 WeakPolarHBondContact O-CG 3.43Å; F108-M112 PolarHBondContact O-N 3.03Å; V109-M112 PolarHBondContact O-N 2.87Å; L110-M112 VanDerWaalsContact C-N 3.33Å; M112-S114 VanDerWaalsContact C-N 3.32Å
113A81.9Confident70.4Confident33 Ų3372.7 Ų72.727%0.27340%0.397SS..Hα-helixtrans-80.9-14.1178.500000113.1F13 I30 V109 L110 T111F13-A113 HydrophobicContact CE1-CB 4.39Å; F13-A113 HydrophobicContact CE2-CB 3.92Å; F13-A113 HydrophobicContact CZ-CB 3.61Å; I30-A113 HydrophobicContact CD1-CB 4.33Å; I30-A113 HydrophobicContact CG1-CB 4.48Å; I30-A113 HydrophobicContact CG2-CB 4.23Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 2.79Å; L110-A113 PolarHBondContact O-N 3.3Å; T111-A113 VanDerWaalsContact C-N 3.31Å; T111-A113 PolarHBondContact O-N 3.39Å
114S78Confident68.3Low23 Ų2374.5 Ų74.516%0.16142%0.416CS..SBendtrans-76.5144.4178.678.20000111.1L110 T111 M112 L116 H117L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.49Å; T111-S114 WeakPolarHBondContact O-CB 3.32Å; T111-S114 PolarHBondContact O-N 3.44Å; T111-S114 PolarHBondContact O-OG 2.87Å; M112-S114 VanDerWaalsContact C-N 3.32Å; S114-L116 PolarHBondContact O-N 2.76Å; S114-H117 PolarHBondContact O-N 3.22Å
115P63.6Low66.2Low111 Ų11177 Ų7772%0.72144%0.437SS*.THydrogen-bonded Turntrans-61.7-16.2179.522.8-32000113.4H117 A118P115-H117 PolarHBondContact O-N 3.49Å; P115-A118 WeakPolarHBondContact O-CB 3.37Å; P115-A118 PolarHBondContact O-N 3.24Å
116L53.7Low64.4Low129 Ų12981.1 Ų81.168%0.67547%0.465SS*.Hα-helixtrans-57.1-30.2175.2-71.8158.7000112.7S114 E119 M120S114-L116 PolarHBondContact O-N 2.76Å; L116-E119 PolarHBondContact O-N 3.49Å; L116-M120 PolarHBondContact O-N 3.48Å
117H52.6Low63Low36 Ų3688.7 Ų88.717%0.16751%0.505CS..Hα-helixtrans-77.2-19.5177.6-97.3-49000114.5T111 S114 P115 E119 M120 L121T111-H117 VanDerWaalsContact C-CD2 3.49Å; T111-H117 WeakPolarHBondContact CG2-NE2 3.44Å; T111-H117 PolarHBondContact O-CD2 2.95Å; T111-H117 VanDerWaalsContact O-CD2 3.22Å; S114-H117 PolarHBondContact O-N 3.22Å; P115-H117 PolarHBondContact O-N 3.49Å; H117-E119 PolarHBondContact O-N 2.94Å; H117-M120 PolarHBondContact O-N 3.29Å; H117-L121 WeakPolarHBondContact O-CG 3.49Å; H117-L121 PolarHBondContact O-N 3.46Å
118A48.4Very low61.8Low82 Ų8289 Ų8968%0.67851%0.511SS*.Hα-helixtrans-64.6-31.7172.600000111.3P115P115-A118 WeakPolarHBondContact O-CB 3.37Å; P115-A118 PolarHBondContact O-N 3.24Å
119E47.2Very low61Low144 Ų14490 Ų9067%0.67352%0.522SS*.Hα-helixtrans-83.6-21.8177.8-63.6-173.2-179.400113.5L116 H117L116-E119 PolarHBondContact O-N 3.49Å; H117-E119 PolarHBondContact O-N 2.94Å
120M48.9Very low60.2Low139 Ų13994.8 Ų94.869%0.68555%0.547SS*.Hα-helixtrans-94.1-18.2-171.3-137.6179.277.900113.9L116 H117L116-M120 PolarHBondContact O-N 3.48Å; H117-M120 PolarHBondContact O-N 3.29Å
121L48.2Very low59.9Low120 Ų12098.2 Ų98.263%0.62857%0.568SS**SBendtrans-79.8-11.2-176.5-79.4165.1000114.5H117H117-L121 WeakPolarHBondContact O-CG 3.49Å; H117-L121 PolarHBondContact O-N 3.46Å
122C40.2Very low59.7Low111 Ų11197.6 Ų97.675%0.7556%0.562SS**  trans-148.943-174.5-67.60000113.9P124C122-P124 WeakPolarHBondContact O-CD 3.5Å
123K37.9Very low59.6Low173 Ų17399.3 Ų99.375%0.75257%0.572SS**  trans-85105.5154.1-82.8-178.2-178.1173.50106.7T125K123-T125 PolarHBondContact O-N 3.38Å; K123-T125 VanDerWaalsContact O-N 3.13Å
124P42.6Very low59.7Low114 Ų11498.2 Ų98.274%0.7456%0.562SS**  trans-50.4128.1164.421.3-30.2000106.4C122 S126C122-P124 WeakPolarHBondContact O-CD 3.5Å; P124-S126 PolarHBondContact O-N 2.98Å
125T47.7Very low60.1Low134 Ų134102.2 Ų102.282%0.82258%0.577SS**SBendtrans-37.9121.5171.3-58.30000106.9K123 L127K123-T125 PolarHBondContact O-N 3.38Å; K123-T125 VanDerWaalsContact O-N 3.13Å; T125-L127 PolarHBondContact O-N 2.88Å
126S52.5Low61.1Low86 Ų86100 Ų10060%0.60156%0.563SS**  trans-29.1129.7-174.244.90000111.2P124 P128P124-S126 PolarHBondContact O-N 2.98Å; S126-P128 VanDerWaalsContact O-N 3.07Å
127L60.1Low62.7Low158 Ų15894.1 Ų94.183%0.82753%0.532SS*.  trans-39123.8171.5-74.2167.1000107.6T125 T129T125-L127 PolarHBondContact O-N 2.88Å; L127-T129 PolarHBondContact O-N 3.42Å
128P62.7Low64.5Low81 Ų8196.5 Ų96.553%0.52654%0.543SS..  trans-52.4122.4-174.115.2-26.6000107.9S126 D132 L133S126-P128 VanDerWaalsContact O-N 3.07Å; P128-D132 HydrophobicContact CB-CB 4.26Å; P128-L133 HydrophobicContact CB-CD2 4.02Å; P128-L133 HydrophobicContact CB-CG 4.23Å; P128-L133 HydrophobicContact CG-CD2 4.3Å
129T72.9Confident66.3Low77 Ų77100.2 Ų100.247%0.47255%0.546SS..  trans-70.3156.2178.2-51.70000107.2L127 V131 D132 L133L127-T129 PolarHBondContact O-N 3.42Å; T129-V131 HydrophobicContact CG2-CB 4.33Å; T129-V131 HydrophobicContact CG2-CG2 4.16Å; T129-V131 PolarHBondContact O-N 3.46Å; T129-D132 PolarHBondContact N-OD2 3.13Å; T129-D132 VanDerWaalsContact N-OD2 3.15Å; T129-D132 WeakPolarHBondContact O-CA 3.28Å; T129-D132 WeakPolarHBondContact O-CB 3.48Å; T129-D132 PolarHBondContact O-N 2.86Å; T129-L133 PolarHBondContact O-N 3.31Å
130D72Confident68.2Low124 Ų12494.4 Ų94.466%0.66352%0.519SS*.Hα-helixtrans-50-31171.7-71.4-15.2000112.2L133 A134D130-L133 PolarHBondContact O-N 3.47Å; D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 2.93Å
131V77.7Confident70Confident95 Ų9589.6 Ų89.658%0.57650%0.499SS*.Hα-helixtrans-62.9-39.9173.1-177.30000112.2T129 A134 K135T129-V131 HydrophobicContact CG2-CB 4.33Å; T129-V131 HydrophobicContact CG2-CG2 4.16Å; T129-V131 PolarHBondContact O-N 3.46Å; V131-A134 PolarHBondContact O-N 3.37Å; V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.15Å
132D80.3Confident71.9Confident59 Ų5988.4 Ų88.432%0.31649%0.49SS..Hα-helixtrans-73.2-33.1177.4-61.3-48.3000111.8P128 T129 K135 P136P128-D132 HydrophobicContact CB-CB 4.26Å; T129-D132 PolarHBondContact N-OD2 3.13Å; T129-D132 VanDerWaalsContact N-OD2 3.15Å; T129-D132 WeakPolarHBondContact O-CA 3.28Å; T129-D132 WeakPolarHBondContact O-CB 3.48Å; T129-D132 PolarHBondContact O-N 2.86Å; D132-K135 IonicContact OD1-NZ 2.85Å; D132-K135 PolarHBondContact OD1-NZ 2.87Å; D132-P136 WeakPolarHBondContact O-CD 3.46Å
133L82.2Confident74.2Confident57 Ų5783.3 Ų83.330%0.29846%0.456SS..Hα-helixtrans-73.7-26.3174.6-63177.9000112.8P128 T129 D130 P136 L152 I158P128-L133 HydrophobicContact CB-CD2 4.02Å; P128-L133 HydrophobicContact CB-CG 4.23Å; P128-L133 HydrophobicContact CG-CD2 4.3Å; T129-L133 PolarHBondContact O-N 3.31Å; D130-L133 PolarHBondContact O-N 3.47Å; L133-P136 WeakPolarHBondContact O-CD 3.39Å; L133-L152 HydrophobicContact CB-CD1 3.9Å; L133-L152 HydrophobicContact CB-CD2 4.19Å; L133-I158 HydrophobicContact CD2-CD1 4.44Å
134A83.5Confident76.6Confident9 Ų976.7 Ų76.77%0.07444%0.437CS..Hα-helixtrans-76.4-31.9178.700000112.5D130 V131 L137 E138 A148 L152D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 2.93Å; V131-A134 PolarHBondContact O-N 3.37Å; A134-L137 WeakPolarHBondContact O-CA 3.36Å; A134-L137 WeakPolarHBondContact O-CB 3.37Å; A134-L137 PolarHBondContact O-N 3.37Å; A134-E138 PolarHBondContact O-N 2.81Å; A134-A148 HydrophobicContact CB-CB 4.28Å; A134-L152 HydrophobicContact CB-CD1 3.85Å
135K86.3Confident78.8Confident108 Ų10875.2 Ų75.247%0.4743%0.427SS..Hα-helixtrans-52.3-49.4-177.6-73.6166.6-172.1161.40113.7V131 D132 L137 E138V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.15Å; D132-K135 IonicContact OD1-NZ 2.85Å; D132-K135 PolarHBondContact OD1-NZ 2.87Å; K135-L137 PolarHBondContact O-N 2.93Å; K135-E138 PolarHBondContact O-N 3.08Å; K135-E138 VanDerWaalsContact O-N 3.17Å
136P85.2Confident80.8Confident65 Ų6573.8 Ų73.842%0.42242%0.418SS..Hα-helixtrans-62-27.6177-22.633.7000113.7D132 L133 I158D132-P136 WeakPolarHBondContact O-CD 3.46Å; L133-P136 WeakPolarHBondContact O-CD 3.39Å; P136-I158 HydrophobicContact CG-CD1 4.38Å
137L88.5Confident82.7Confident4 Ų472.5 Ų72.52%0.02140%0.401CS..Hα-helixtrans-80.3-27.6178.9-59.5175.6000112A134 K135 E139 L140 V143 A148 L151 L152 I158 I161A134-L137 WeakPolarHBondContact O-CA 3.36Å; A134-L137 WeakPolarHBondContact O-CB 3.37Å; A134-L137 PolarHBondContact O-N 3.37Å; K135-L137 PolarHBondContact O-N 2.93Å; L137-E139 PolarHBondContact O-N 3.44Å; L137-L140 HydrophobicContact CB-CD1 4.47Å; L137-L140 HydrophobicContact CD2-CD1 3.86Å; L137-L140 WeakPolarHBondContact O-CB 3.48Å; L137-L140 PolarHBondContact O-N 3.37Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L137-V143 WeakPolarHBondContact O-CB 3.46Å; L137-V143 WeakPolarHBondContact O-CG1 3.01Å; L137-A148 HydrophobicContact CB-CB 3.71Å; L137-L151 HydrophobicContact CD1-CB 4.46Å; L137-L152 HydrophobicContact CD1-CD1 3.9Å; L137-L152 HydrophobicContact CD1-CD2 3.76Å; L137-L152 HydrophobicContact CD1-CG 3.44Å; L137-L152 VanDerWaalsContact CD1-CG 3.44Å; L137-I158 HydrophobicContact CD2-CG2 4.43Å; L137-I161 HydrophobicContact CD1-CD1 3.49Å; L137-I161 VanDerWaalsContact CD1-CD1 3.49Å; L137-I161 HydrophobicContact CD2-CD1 3.82Å; L137-I161 HydrophobicContact CD2-CG2 4.26Å; L137-I161 HydrophobicContact CG-CD1 4.31Å
138E88.6Confident84.1Confident86 Ų8665 Ų6540%0.40236%0.362SS..Hα-helixtrans-68.3-17.3173.8-68.2177.5-157.700112.9A134 K135 L140 V143 P145 A148A134-E138 PolarHBondContact O-N 2.81Å; K135-E138 PolarHBondContact O-N 3.08Å; K135-E138 VanDerWaalsContact O-N 3.17Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-V143 WeakPolarHBondContact CA-O 3.38Å; E138-P145 HydrophobicContact CG-CB 4.38Å; E138-A148 HydrophobicContact CG-CB 3.73Å
139E87.4Confident85.4Confident161 Ų16168.9 Ų68.975%0.75237%0.366SS*.THydrogen-bonded Turntrans-81.4-10.5173.1-63.8-175.7174.900113L137L137-E139 PolarHBondContact O-N 3.44Å
140L87.6Confident86.3Confident21 Ų2168.4 Ų68.411%0.1136%0.361CS..SBendtrans-73.1144.1177.8-64.7172.4000110.9L137 E138 E142 V143 V181 F184L137-L140 HydrophobicContact CB-CD1 4.47Å; L137-L140 HydrophobicContact CD2-CD1 3.86Å; L137-L140 WeakPolarHBondContact O-CB 3.48Å; L137-L140 PolarHBondContact O-N 3.37Å; L137-L140 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 2.84Å; L140-V143 HydrophobicContact CB-CB 3.85Å; L140-V143 HydrophobicContact CB-CG2 3.75Å; L140-V143 HydrophobicContact CD1-CG2 4.41Å; L140-V143 PolarHBondContact O-N 3.34Å; L140-V143 VanDerWaalsContact O-N 3.15Å; L140-V181 HydrophobicContact CB-CG2 4.25Å; L140-V181 HydrophobicContact CD1-CG1 4.1Å; L140-V181 HydrophobicContact CD1-CG2 4.48Å; L140-F184 HydrophobicContact CD2-CD1 3.55Å; L140-F184 HydrophobicContact CD2-CE1 3.82Å
141P86.1Confident87.2Confident39 Ų3962.5 Ų62.525%0.25333%0.329SS..THydrogen-bonded Turntrans-58.8137.6177.626.1-34.5000110.5V143 E180 F184P141-V143 PolarHBondContact O-N 3.01Å; P141-E180 HydrophobicContact CB-CB 4.36Å; P141-E180 HydrophobicContact CG-CB 4.18Å; P141-F184 HydrophobicContact CG-CB 3.83Å; P141-F184 HydrophobicContact CG-CD2 4.31Å; P141-F184 HydrophobicContact CG-CG 4.15Å
142E88.9Confident87.8Confident94 Ų9458.8 Ų58.844%0.43931%0.306SS..THydrogen-bonded Turntrans60.69.3-179.1-62.5-79.1-17200115.4L140 K147 K176 A177 E180L140-E142 PolarHBondContact O-N 2.84Å; E142-K147 WeakPolarHBondContact O-CD 3.29Å; E142-K147 WeakPolarHBondContact O-CE 3.34Å; E142-K147 PolarHBondContact O-NZ 2.93Å; E142-K176 IonicContact OE1-NZ 3.06Å; E142-K176 PolarHBondContact OE1-NZ 3.06Å; E142-A177 HydrophobicContact CB-CB 3.81Å; E142-E180 WeakPolarHBondContact CG-OE2 2.9Å
143V88.2Confident88.2Confident5 Ų562.1 Ų62.13%0.0332%0.32CS..  trans-108.494.4178-176.30000110L137 E138 L140 P141 K147 A148 L151 V181L137-V143 WeakPolarHBondContact O-CB 3.46Å; L137-V143 WeakPolarHBondContact O-CG1 3.01Å; E138-V143 WeakPolarHBondContact CA-O 3.38Å; L140-V143 HydrophobicContact CB-CB 3.85Å; L140-V143 HydrophobicContact CB-CG2 3.75Å; L140-V143 HydrophobicContact CD1-CG2 4.41Å; L140-V143 PolarHBondContact O-N 3.34Å; L140-V143 VanDerWaalsContact O-N 3.15Å; P141-V143 PolarHBondContact O-N 3.01Å; V143-K147 HydrophobicContact CG1-CB 3.85Å; V143-A148 HydrophobicContact CG1-CB 4.06Å; V143-L151 HydrophobicContact CG1-CD1 4.02Å; V143-L151 HydrophobicContact CG2-CD1 4.36Å; V143-V181 HydrophobicContact CG2-CG2 3.51Å
144G88.4Confident88.6Confident34 Ų3464.6 Ų64.635%0.35133%0.33SS..  trans-80-179.5169.100000113.3V146 K147 A148G144-V146 VanDerWaalsContact C-N 3.25Å; G144-V146 PolarHBondContact O-N 2.85Å; G144-V146 VanDerWaalsContact O-N 3.13Å; G144-K147 PolarHBondContact O-N 3.31Å; G144-A148 PolarHBondContact O-N 3.03Å
145P88.9Confident89Confident82 Ų8265.1 Ų65.153%0.53233%0.33SS..Hα-helixtrans-56.9-34.8-176.321.2-34000113.9E138 R149E138-P145 HydrophobicContact CG-CB 4.38Å; P145-R149 WeakPolarHBondContact O-CB 3.38Å; P145-R149 PolarHBondContact O-N 2.99Å; P145-R149 VanDerWaalsContact O-N 3.16Å
146V89.5Confident89Confident105 Ų10562.5 Ų62.564%0.63633%0.334SS*.Hα-helixtrans-68-45177.6-1790000111.1G144 R149 N150G144-V146 VanDerWaalsContact C-N 3.25Å; G144-V146 PolarHBondContact O-N 2.85Å; G144-V146 VanDerWaalsContact O-N 3.13Å; V146-R149 PolarHBondContact O-N 2.97Å; V146-N150 VanDerWaalsContact O-CG 3.29Å; V146-N150 PolarHBondContact O-N 2.88Å; V146-N150 VanDerWaalsContact O-N 3.07Å; V146-N150 PolarHBondContact O-OD1 2.91Å
147K90.7Very high89.1Confident59 Ų5962.5 Ų62.526%0.25733%0.333SS..Hα-helixtrans-70.3-40.3-179.8-74.2-180177.7-174.80111.3E142 V143 G144 R149 N150 L151 V173E142-K147 WeakPolarHBondContact O-CD 3.29Å; E142-K147 WeakPolarHBondContact O-CE 3.34Å; E142-K147 PolarHBondContact O-NZ 2.93Å; V143-K147 HydrophobicContact CG1-CB 3.85Å; G144-K147 PolarHBondContact O-N 3.31Å; K147-R149 VanDerWaalsContact C-N 3.3Å; K147-R149 PolarHBondContact O-N 2.83Å; K147-N150 PolarHBondContact O-N 3.04Å; K147-L151 WeakPolarHBondContact O-CB 3.32Å; K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 3.42Å; K147-V173 HydrophobicContact CB-CG1 3.96Å; K147-V173 HydrophobicContact CD-CB 4.1Å; K147-V173 HydrophobicContact CD-CG1 4.07Å; K147-V173 HydrophobicContact CG-CG1 4.12Å; K147-V173 PolarHBondContact NZ-O 3.06Å
148A90.8Very high89.1Confident0 Ų065 Ų650%035%0.346CS..Hα-helixtrans-55.2-46.617400000111.5A134 L137 E138 V143 G144 L151 L152A134-A148 HydrophobicContact CB-CB 4.28Å; L137-A148 HydrophobicContact CB-CB 3.71Å; E138-A148 HydrophobicContact CG-CB 3.73Å; V143-A148 HydrophobicContact CG1-CB 4.06Å; G144-A148 PolarHBondContact O-N 3.03Å; A148-L151 PolarHBondContact O-N 3.27Å; A148-L152 PolarHBondContact O-N 3.38Å
149R89.9Confident89.2Confident163 Ų16368 Ų6862%0.61536%0.359SS*.Hα-helixtrans-63.8-44.3176.4-172.7178.3179.2-178.61.4112.5P145 V146 K147 L151 L152 Q153P145-R149 WeakPolarHBondContact O-CB 3.38Å; P145-R149 PolarHBondContact O-N 2.99Å; P145-R149 VanDerWaalsContact O-N 3.16Å; V146-R149 PolarHBondContact O-N 2.97Å; K147-R149 VanDerWaalsContact C-N 3.3Å; K147-R149 PolarHBondContact O-N 2.83Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.88Å; R149-L152 PolarHBondContact O-N 3.19Å; R149-Q153 WeakPolarHBondContact O-CG 3.36Å; R149-Q153 PolarHBondContact O-N 3.02Å
150N91.2Very high89.3Confident66 Ų6668 Ų6835%0.35335%0.353SS..Hα-helixtrans-64.7-39.7179.2-69.2-7.5000111.8V146 K147 Q153 H154 V172V146-N150 VanDerWaalsContact O-CG 3.29Å; V146-N150 PolarHBondContact O-N 2.88Å; V146-N150 VanDerWaalsContact O-N 3.07Å; V146-N150 PolarHBondContact O-OD1 2.91Å; K147-N150 PolarHBondContact O-N 3.04Å; N150-Q153 PolarHBondContact O-N 3.39Å; N150-H154 WeakPolarHBondContact O-CB 3.34Å; N150-H154 PolarHBondContact O-N 3.33Å; N150-V172 HydrophobicContact CB-CG1 3.63Å
151L91.8Very high89.5Confident0 Ų067.1 Ų67.10%035%0.348CS..Hα-helixtrans-61.2-46.4174.9-77171000111.4L137 V143 K147 A148 R149 Q153 H154 F155 I161 L169 V172 V173L137-L151 HydrophobicContact CD1-CB 4.46Å; V143-L151 HydrophobicContact CG1-CD1 4.02Å; V143-L151 HydrophobicContact CG2-CD1 4.36Å; K147-L151 WeakPolarHBondContact O-CB 3.32Å; K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 3.42Å; A148-L151 PolarHBondContact O-N 3.27Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.88Å; L151-Q153 VanDerWaalsContact C-N 3.33Å; L151-Q153 PolarHBondContact O-N 2.89Å; L151-H154 PolarHBondContact O-N 3.32Å; L151-F155 HydrophobicContact CD2-CD2 4.01Å; L151-F155 HydrophobicContact CD2-CE2 3.76Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; L151-F155 PolarHBondContact O-N 3.06Å; L151-I161 HydrophobicContact CB-CD1 3.8Å; L151-I161 HydrophobicContact CB-CG1 4.32Å; L151-I161 HydrophobicContact CD1-CG2 4.36Å; L151-I161 HydrophobicContact CD2-CG2 4.44Å; L151-L169 HydrophobicContact CD2-CD2 3.75Å; L151-V172 HydrophobicContact CD2-CB 4.06Å; L151-V172 HydrophobicContact CD2-CG1 3.98Å; L151-V172 HydrophobicContact CG-CG1 4.15Å; L151-V173 HydrophobicContact CD1-CG1 3.85Å; L151-V173 HydrophobicContact CD2-CG1 3.92Å; L151-V173 HydrophobicContact CG-CG1 3.78Å
152L89.9Confident89.6Confident18 Ų1867.6 Ų67.69%0.09435%0.352CS..Hα-helixtrans-62.6-40.6175.9-75.6168.5000112.4L133 A134 L137 A148 R149 H154 G156 I158 I161L133-L152 HydrophobicContact CB-CD1 3.9Å; L133-L152 HydrophobicContact CB-CD2 4.19Å; A134-L152 HydrophobicContact CB-CD1 3.85Å; L137-L152 HydrophobicContact CD1-CD1 3.9Å; L137-L152 HydrophobicContact CD1-CD2 3.76Å; L137-L152 HydrophobicContact CD1-CG 3.44Å; L137-L152 VanDerWaalsContact CD1-CG 3.44Å; A148-L152 PolarHBondContact O-N 3.38Å; R149-L152 PolarHBondContact O-N 3.19Å; L152-H154 VanDerWaalsContact C-N 3.28Å; L152-H154 PolarHBondContact O-N 2.94Å; L152-G156 WeakPolarHBondContact O-CA 3.46Å; L152-G156 PolarHBondContact O-N 2.99Å; L152-I158 HydrophobicContact CD2-CG1 4.25Å; L152-I161 HydrophobicContact CD2-CD1 4.21Å
153Q89.1Confident89.7Confident129 Ų12968 Ų6860%0.60336%0.361SS*.Hα-helixtrans-64.5-34.3177.1-75.3-179.5-15.500112.4R149 N150 L151R149-Q153 WeakPolarHBondContact O-CG 3.36Å; R149-Q153 PolarHBondContact O-N 3.02Å; N150-Q153 PolarHBondContact O-N 3.39Å; L151-Q153 VanDerWaalsContact C-N 3.33Å; L151-Q153 PolarHBondContact O-N 2.89Å
154H90.7Very high89.8Confident109 Ų10968 Ų6851%0.50536%0.362SS..Hα-helixtrans-84-48-177.3-160.652.5000113N150 L151 L152 V172N150-H154 WeakPolarHBondContact O-CB 3.34Å; N150-H154 PolarHBondContact O-N 3.33Å; L151-H154 PolarHBondContact O-N 3.32Å; L152-H154 VanDerWaalsContact C-N 3.28Å; L152-H154 PolarHBondContact O-N 2.94Å; H154-V172 HydrophobicContact CB-CG2 3.86Å; H154-V172 WeakPolarHBondContact CD2-CG2 3.42Å
155F91.1Very high89.9Confident19 Ų1968.4 Ų68.48%0.08336%0.359CS..Hα-helixtrans-89.7-22.7-175.4-72.1-88.4000113.5L151 T157 R160 I161 E168 L169 V172L151-F155 HydrophobicContact CD2-CD2 4.01Å; L151-F155 HydrophobicContact CD2-CE2 3.76Å; L151-F155 WeakPolarHBondContact O-CB 3.46Å; L151-F155 WeakPolarHBondContact O-CD2 3.48Å; L151-F155 PolarHBondContact O-N 3.06Å; F155-T157 PolarHBondContact O-N 3.34Å; F155-R160 HydrophobicContact CB-CB 3.9Å; F155-R160 HydrophobicContact CD1-CB 4.05Å; F155-R160 WeakPolarHBondContact CD1-O 3.22Å; F155-R160 HydrophobicContact CG-CB 4.46Å; F155-R160 WeakPolarHBondContact O-CD 3.49Å; F155-I161 HydrophobicContact CB-CD1 4.44Å; F155-I161 HydrophobicContact CB-CG1 3.52Å; F155-I161 HydrophobicContact CD2-CG1 3.83Å; F155-I161 HydrophobicContact CG-CG1 3.74Å; F155-E168 HydrophobicContact CE1-CB 4.13Å; F155-E168 HydrophobicContact CZ-CB 3.86Å; F155-L169 HydrophobicContact CE2-CD2 3.81Å; F155-L169 HydrophobicContact CZ-CD2 3.78Å; F155-L169 HydrophobicContact CZ-CG 4.19Å; F155-V172 HydrophobicContact CE2-CG2 4.3Å
156G86.3Confident90Very high53 Ų5366.7 Ų66.755%0.54635%0.347SS..SBendtrans76.9-30.8179.400000115.2L152L152-G156 WeakPolarHBondContact O-CA 3.46Å; L152-G156 PolarHBondContact O-N 2.99Å
157T88Confident90.2Very high66 Ų6668.1 Ų68.141%0.40535%0.347SS..SBendtrans-136.8150.4178.469.30000111.8F155 E159 R160 I161F155-T157 PolarHBondContact O-N 3.34Å; T157-E159 PolarHBondContact O-N 2.69Å; T157-R160 PolarHBondContact O-N 3.19Å; T157-R160 PolarHBondContact OG1-N 3.19Å; T157-I161 WeakPolarHBondContact O-CG1 3.5Å; T157-I161 PolarHBondContact O-N 3.41Å
158I89Confident90.2Very high57 Ų5769.8 Ų69.829%0.29236%0.356SS..Hα-helixtrans-59.8-37.1174.8-60.8174.1000110.9L133 P136 L137 L152 R160 I161 C162L133-I158 HydrophobicContact CD2-CD1 4.44Å; P136-I158 HydrophobicContact CG-CD1 4.38Å; L137-I158 HydrophobicContact CD2-CG2 4.43Å; L152-I158 HydrophobicContact CD2-CG1 4.25Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.3Å; I158-I161 WeakPolarHBondContact O-CB 3.42Å; I158-I161 PolarHBondContact O-N 3.34Å; I158-I161 VanDerWaalsContact O-N 3.16Å; I158-C162 PolarHBondContact O-N 3.39Å; I158-C162 PolarHBondContact O-SG 2.91Å; I158-C162 VanDerWaalsContact O-SG 3.38Å
159E89.7Confident90.3Very high148 Ų14869.8 Ų69.869%0.69236%0.356SS*.Hα-helixtrans-57.8-43.4176.4-176.2-177.7-17100112.3T157 C162 T163T157-E159 PolarHBondContact O-N 2.69Å; E159-C162 PolarHBondContact O-N 2.86Å; E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 WeakPolarHBondContact O-CG2 3.32Å; E159-T163 PolarHBondContact O-N 3.19Å; E159-T163 PolarHBondContact O-OG1 2.9Å
160R90.2Very high90.4Very high162 Ų16263.4 Ų63.461%0.61134%0.338SS*.Hα-helixtrans-67.3-34.7176.9-83.4-171.5157.9-168-5.6112.8F155 T157 I158 C162 T163 G164F155-R160 HydrophobicContact CB-CB 3.9Å; F155-R160 HydrophobicContact CD1-CB 4.05Å; F155-R160 WeakPolarHBondContact CD1-O 3.22Å; F155-R160 HydrophobicContact CG-CB 4.46Å; F155-R160 WeakPolarHBondContact O-CD 3.49Å; T157-R160 PolarHBondContact O-N 3.19Å; T157-R160 PolarHBondContact OG1-N 3.19Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.3Å; R160-C162 VanDerWaalsContact C-N 3.35Å; R160-T163 WeakPolarHBondContact CA-OG1 3.46Å; R160-T163 PolarHBondContact O-N 3.45Å; R160-T163 PolarHBondContact O-OG1 3.04Å; R160-G164 WeakPolarHBondContact O-CA 3.5Å; R160-G164 PolarHBondContact O-N 3.13Å
161I90.8Very high90.5Very high1 Ų167.7 Ų67.71%0.00536%0.356CS..Hα-helixtrans-63.2-43.9173-60.5167.8000110.1L137 L151 L152 F155 T157 I158 T163 L169L137-I161 HydrophobicContact CD1-CD1 3.49Å; L137-I161 VanDerWaalsContact CD1-CD1 3.49Å; L137-I161 HydrophobicContact CD2-CD1 3.82Å; L137-I161 HydrophobicContact CD2-CG2 4.26Å; L137-I161 HydrophobicContact CG-CD1 4.31Å; L151-I161 HydrophobicContact CB-CD1 3.8Å; L151-I161 HydrophobicContact CB-CG1 4.32Å; L151-I161 HydrophobicContact CD1-CG2 4.36Å; L151-I161 HydrophobicContact CD2-CG2 4.44Å; L152-I161 HydrophobicContact CD2-CD1 4.21Å; F155-I161 HydrophobicContact CB-CD1 4.44Å; F155-I161 HydrophobicContact CB-CG1 3.52Å; F155-I161 HydrophobicContact CD2-CG1 3.83Å; F155-I161 HydrophobicContact CG-CG1 3.74Å; T157-I161 WeakPolarHBondContact O-CG1 3.5Å; T157-I161 PolarHBondContact O-N 3.41Å; I158-I161 WeakPolarHBondContact O-CB 3.42Å; I158-I161 PolarHBondContact O-N 3.34Å; I158-I161 VanDerWaalsContact O-N 3.16Å; I161-T163 PolarHBondContact O-N 3.49Å; I161-L169 HydrophobicContact CG2-CD2 4.01Å
162C89Confident90.4Very high50 Ų5069.2 Ų69.234%0.33837%0.365SS..Hα-helixtrans-68.4-36-179-67.30000113.2I158 E159 R160 K182I158-C162 PolarHBondContact O-N 3.39Å; I158-C162 PolarHBondContact O-SG 2.91Å; I158-C162 VanDerWaalsContact O-SG 3.38Å; E159-C162 PolarHBondContact O-N 2.86Å; R160-C162 VanDerWaalsContact C-N 3.35Å; C162-K182 PolarHBondContact O-NZ 3.22Å
163T90.6Very high90.4Very high102 Ų10269 Ų6963%0.62636%0.364SS*.Hα-helixtrans-89.5-18.6-177.151.50000113.9E159 R160 I161E159-T163 WeakPolarHBondContact O-CB 3.37Å; E159-T163 WeakPolarHBondContact O-CG2 3.32Å; E159-T163 PolarHBondContact O-N 3.19Å; E159-T163 PolarHBondContact O-OG1 2.9Å; R160-T163 WeakPolarHBondContact CA-OG1 3.46Å; R160-T163 PolarHBondContact O-N 3.45Å; R160-T163 PolarHBondContact O-OG1 3.04Å; I161-T163 PolarHBondContact O-N 3.49Å
164G89.3Confident90.6Very high6 Ų664.4 Ų64.46%0.06235%0.352CS..SBendtrans-56.5152.1178.800000113.9R160 K182R160-G164 WeakPolarHBondContact O-CA 3.5Å; R160-G164 PolarHBondContact O-N 3.13Å; G164-K182 PolarHBondContact O-NZ 3.44Å
165S91.2Very high90.5Very high42 Ų4262.2 Ų62.229%0.29435%0.353SS..  trans-69.9160.7175.6620000111.7E167 E168 L169S165-E167 WeakPolarHBondContact CB-OE2 3.45Å; S165-E167 PolarHBondContact O-N 2.94Å; S165-E168 PolarHBondContact N-OE2 3.01Å; S165-E168 PolarHBondContact O-N 3.12Å; S165-E168 WeakPolarHBondContact OG-CB 3.43Å; S165-E168 VanDerWaalsContact OG-CD 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.32Å; S165-E168 PolarHBondContact OG-N 2.99Å; S165-E168 PolarHBondContact OG-OE2 3.33Å; S165-L169 WeakPolarHBondContact O-CG 3.48Å; S165-L169 PolarHBondContact O-N 2.98Å; S165-L169 VanDerWaalsContact O-N 3.1Å
166V91.6Very high90.5Very high45 Ų4567.3 Ų67.327%0.27338%0.375SS..Hα-helixtrans-64.1-34.3177.5178.10000109.7L169 A170 A178 E179 K182V166-L169 PolarHBondContact O-N 3.28Å; V166-A170 WeakPolarHBondContact O-CB 3.25Å; V166-A170 PolarHBondContact O-N 3.35Å; V166-A178 HydrophobicContact CG1-CB 4.06Å; V166-A178 WeakPolarHBondContact O-CB 3.1Å; V166-E179 HydrophobicContact CG1-CG 4.06Å; V166-K182 HydrophobicContact CG2-CB 4.03Å; V166-K182 HydrophobicContact CG2-CG 3.92Å
167E93Very high90.6Very high136 Ų13665 Ų6564%0.63635%0.35SS*.Hα-helixtrans-62.9-49.8177.1-62.774.8-166.100111.7S165 L169 A170 E171S165-E167 WeakPolarHBondContact CB-OE2 3.45Å; S165-E167 PolarHBondContact O-N 2.94Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.26Å; E167-A170 PolarHBondContact O-N 2.96Å; E167-E171 PolarHBondContact O-N 3.23Å
168E91.4Very high90.8Very high93 Ų9361.8 Ų61.844%0.43533%0.331SS..Hα-helixtrans-63.3-37.8177.4-72.6165.2145.600112F155 S165F155-E168 HydrophobicContact CE1-CB 4.13Å; F155-E168 HydrophobicContact CZ-CB 3.86Å; S165-E168 PolarHBondContact N-OE2 3.01Å; S165-E168 PolarHBondContact O-N 3.12Å; S165-E168 WeakPolarHBondContact OG-CB 3.43Å; S165-E168 VanDerWaalsContact OG-CD 3.24Å; S165-E168 WeakPolarHBondContact OG-CG 3.32Å; S165-E168 PolarHBondContact OG-N 2.99Å; S165-E168 PolarHBondContact OG-OE2 3.33Å
169L91.8Very high91Very high1 Ų165 Ų651%0.00535%0.345CS..Hα-helixtrans-67.6-40.5174.8-71.5170.2000111.1L151 F155 I161 S165 V166 E167 E171 V172 V173 A178 V181 K182L151-L169 HydrophobicContact CD2-CD2 3.75Å; F155-L169 HydrophobicContact CE2-CD2 3.81Å; F155-L169 HydrophobicContact CZ-CD2 3.78Å; F155-L169 HydrophobicContact CZ-CG 4.19Å; I161-L169 HydrophobicContact CG2-CD2 4.01Å; S165-L169 WeakPolarHBondContact O-CG 3.48Å; S165-L169 PolarHBondContact O-N 2.98Å; S165-L169 VanDerWaalsContact O-N 3.1Å; V166-L169 PolarHBondContact O-N 3.28Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 3.26Å; L169-E171 VanDerWaalsContact C-N 3.26Å; L169-E171 PolarHBondContact O-N 3.45Å; L169-V172 PolarHBondContact O-N 2.96Å; L169-V173 VanDerWaalsContact O-CG2 3.27Å; L169-V173 WeakPolarHBondContact O-CG2 3.5Å; L169-V173 PolarHBondContact O-N 3.48Å; L169-A178 HydrophobicContact CB-CB 3.66Å; L169-V181 HydrophobicContact CD1-CG1 4.36Å; L169-K182 HydrophobicContact CD1-CD 4.49Å
170A93.6Very high91Very high29 Ų2960.7 Ų60.724%0.2432%0.324CS..Hα-helixtrans-63.8-31.1-177.800000112.6V166 E167 V172 G174 A175 A178V166-A170 WeakPolarHBondContact O-CB 3.25Å; V166-A170 PolarHBondContact O-N 3.35Å; E167-A170 PolarHBondContact O-N 2.96Å; A170-V172 PolarHBondContact O-N 3.45Å; A170-G174 WeakPolarHBondContact O-CA 3.46Å; A170-G174 PolarHBondContact O-N 2.91Å; A170-A175 HydrophobicContact CB-CB 4.49Å; A170-A178 HydrophobicContact CB-CB 3.84Å
171E91.7Very high91Very high155 Ų15553 Ų5372%0.72430%0.296SS*.Hα-helixtrans-60-29.2173-71.6-173.8179.700112.7E167 L169E167-E171 PolarHBondContact O-N 3.23Å; L169-E171 VanDerWaalsContact C-N 3.26Å; L169-E171 PolarHBondContact O-N 3.45Å
172V90.6Very high91Very high33 Ų3355.4 Ų55.420%0.231%0.306CS..Hα-helixtrans-99.4-43.7-176.2-174.30000112.8N150 L151 H154 F155 L169 A170N150-V172 HydrophobicContact CB-CG1 3.63Å; L151-V172 HydrophobicContact CD2-CB 4.06Å; L151-V172 HydrophobicContact CD2-CG1 3.98Å; L151-V172 HydrophobicContact CG-CG1 4.15Å; H154-V172 HydrophobicContact CB-CG2 3.86Å; H154-V172 WeakPolarHBondContact CD2-CG2 3.42Å; F155-V172 HydrophobicContact CE2-CG2 4.3Å; L169-V172 PolarHBondContact O-N 2.96Å; A170-V172 PolarHBondContact O-N 3.45Å
173V90.7Very high91.1Very high12 Ų1259.9 Ų59.97%0.07332%0.322CS..Hα-helixtrans-110.5-7.6-171.7-61.60000114.7K147 L151 L169 A177 A178K147-V173 HydrophobicContact CB-CG1 3.96Å; K147-V173 HydrophobicContact CD-CB 4.1Å; K147-V173 HydrophobicContact CD-CG1 4.07Å; K147-V173 HydrophobicContact CG-CG1 4.12Å; K147-V173 PolarHBondContact NZ-O 3.06Å; L151-V173 HydrophobicContact CD1-CG1 3.85Å; L151-V173 HydrophobicContact CD2-CG1 3.92Å; L151-V173 HydrophobicContact CG-CG1 3.78Å; L169-V173 VanDerWaalsContact O-CG2 3.27Å; L169-V173 WeakPolarHBondContact O-CG2 3.5Å; L169-V173 PolarHBondContact O-N 3.48Å; V173-A177 HydrophobicContact CB-CB 3.89Å; V173-A177 HydrophobicContact CG2-CB 3.73Å; V173-A177 WeakPolarHBondContact O-CB 3.27Å; V173-A178 HydrophobicContact CG2-CB 4.15Å
174G91.3Very high91.1Very high34 Ų3459.5 Ų59.535%0.35131%0.312SS..  trans87.5153.1-171.800000112.8A170 K176 A177 A178A170-G174 WeakPolarHBondContact O-CA 3.46Å; A170-G174 PolarHBondContact O-N 2.91Å; G174-K176 PolarHBondContact O-N 2.95Å; G174-A177 PolarHBondContact O-N 3.01Å; G174-A178 PolarHBondContact O-N 3.06Å
175A90.6Very high91Very high63 Ų6360.7 Ų60.752%0.52132%0.316SS..Hα-helixtrans-53.4-48.5-173.100000113.8A170 A177 A178 E179A170-A175 HydrophobicContact CB-CB 4.49Å; A175-A177 PolarHBondContact O-N 3.35Å; A175-A178 PolarHBondContact O-N 3.12Å; A175-E179 PolarHBondContact O-N 2.94Å
176K90.1Very high90.7Very high125 Ų12561.3 Ų61.354%0.54332%0.321SS..Hα-helixtrans-58.5-47.6179.7-172-170.4177.4-125.30112.2E142 G174 A178 E179 E180E142-K176 IonicContact OE1-NZ 3.06Å; E142-K176 PolarHBondContact OE1-NZ 3.06Å; G174-K176 PolarHBondContact O-N 2.95Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-E179 PolarHBondContact O-N 2.97Å; K176-E180 WeakPolarHBondContact CE-OE1 3.49Å; K176-E180 IonicContact NZ-OE1 2.63Å; K176-E180 PolarHBondContact NZ-OE1 3.08Å; K176-E180 PolarHBondContact O-N 2.8Å; K176-E180 VanDerWaalsContact O-N 3.17Å
177A89.3Confident90.4Very high4 Ų462.1 Ų62.13%0.03333%0.329CS..Hα-helixtrans-69.6-34.2-17900000111.7E142 V173 G174 A175 E180 V181E142-A177 HydrophobicContact CB-CB 3.81Å; V173-A177 HydrophobicContact CB-CB 3.89Å; V173-A177 HydrophobicContact CG2-CB 3.73Å; V173-A177 WeakPolarHBondContact O-CB 3.27Å; G174-A177 PolarHBondContact O-N 3.01Å; A175-A177 PolarHBondContact O-N 3.35Å; A177-E180 PolarHBondContact O-N 2.72Å; A177-V181 WeakPolarHBondContact O-CB 3.5Å; A177-V181 WeakPolarHBondContact O-CG2 3.32Å; A177-V181 PolarHBondContact O-N 2.95Å
178A92.3Very high89.4Confident0 Ų059.3 Ų59.30%032%0.321CS..Hα-helixtrans-64.3-41.6176.800000112.5V166 L169 A170 V173 G174 A175 K176 K182V166-A178 HydrophobicContact CG1-CB 4.06Å; V166-A178 WeakPolarHBondContact O-CB 3.1Å; L169-A178 HydrophobicContact CB-CB 3.66Å; A170-A178 HydrophobicContact CB-CB 3.84Å; V173-A178 HydrophobicContact CG2-CB 4.15Å; G174-A178 PolarHBondContact O-N 3.06Å; A175-A178 PolarHBondContact O-N 3.12Å; K176-A178 VanDerWaalsContact C-N 3.34Å; A178-K182 WeakPolarHBondContact O-CB 3.41Å; A178-K182 PolarHBondContact O-N 3.11Å
179E91.9Very high87.9Confident125 Ų12559 Ų5958%0.58433%0.329SS*.Hα-helixtrans-62.8-50.4174.4-72.8176.7-177.900111.5V166 A175 K176 V181 K182 E183V166-E179 HydrophobicContact CG1-CG 4.06Å; A175-E179 PolarHBondContact O-N 2.94Å; K176-E179 PolarHBondContact O-N 2.97Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-V181 PolarHBondContact O-N 3.25Å; E179-K182 PolarHBondContact O-N 3.04Å; E179-K182 VanDerWaalsContact O-N 3.16Å; E179-E183 WeakPolarHBondContact O-CB 3.33Å; E179-E183 PolarHBondContact O-N 2.84Å
180E90.6Very high86Confident56 Ų5668.2 Ų68.226%0.26236%0.364SS..Hα-helixtrans-61.4-40.5179.8-71.3-174.1-155.600112.3P141 E142 K176 A177 F184P141-E180 HydrophobicContact CB-CB 4.36Å; P141-E180 HydrophobicContact CG-CB 4.18Å; E142-E180 WeakPolarHBondContact CG-OE2 2.9Å; K176-E180 WeakPolarHBondContact CE-OE1 3.49Å; K176-E180 IonicContact NZ-OE1 2.63Å; K176-E180 PolarHBondContact NZ-OE1 3.08Å; K176-E180 PolarHBondContact O-N 2.8Å; K176-E180 VanDerWaalsContact O-N 3.17Å; A177-E180 PolarHBondContact O-N 2.72Å; E180-F184 WeakPolarHBondContact O-CB 3.45Å; E180-F184 PolarHBondContact O-N 3.21Å
181V89.9Confident83.9Confident1 Ų172 Ų721%0.00638%0.384CS..Hα-helixtrans-62.5-44.8175.11680000110.9L140 V143 L169 A177 E179 F184 I185L140-V181 HydrophobicContact CB-CG2 4.25Å; L140-V181 HydrophobicContact CD1-CG1 4.1Å; L140-V181 HydrophobicContact CD1-CG2 4.48Å; V143-V181 HydrophobicContact CG2-CG2 3.51Å; L169-V181 HydrophobicContact CD1-CG1 4.36Å; A177-V181 WeakPolarHBondContact O-CB 3.5Å; A177-V181 WeakPolarHBondContact O-CG2 3.32Å; A177-V181 PolarHBondContact O-N 2.95Å; E179-V181 VanDerWaalsContact C-N 3.34Å; E179-V181 PolarHBondContact O-N 3.25Å; V181-F184 PolarHBondContact O-N 2.88Å; V181-I185 HydrophobicContact CG1-CD1 3.63Å; V181-I185 WeakPolarHBondContact O-CD1 3.22Å; V181-I185 VanDerWaalsContact O-CG1 3.26Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.49Å
182K90Very high81.9Confident52 Ų5270.3 Ų70.323%0.22639%0.39CS..Hα-helixtrans-69.7-36.9-178.6-160.370.4179.1-175.30112.2C162 G164 V166 L169 A178 E179 S186C162-K182 PolarHBondContact O-NZ 3.22Å; G164-K182 PolarHBondContact O-NZ 3.44Å; V166-K182 HydrophobicContact CG2-CB 4.03Å; V166-K182 HydrophobicContact CG2-CG 3.92Å; L169-K182 HydrophobicContact CD1-CD 4.49Å; A178-K182 WeakPolarHBondContact O-CB 3.41Å; A178-K182 PolarHBondContact O-N 3.11Å; E179-K182 PolarHBondContact O-N 3.04Å; E179-K182 VanDerWaalsContact O-N 3.16Å; K182-S186 WeakPolarHBondContact O-CB 3.36Å; K182-S186 PolarHBondContact O-N 3.49Å; K182-S186 PolarHBondContact O-OG 3.16Å
183E91Very high79.7Confident144 Ų14473.7 Ų73.767%0.67341%0.414SS*.Hα-helixtrans-62.7-46.2172.7-172.8173.9-171.200110.8E179 I185 S186 S187E179-E183 WeakPolarHBondContact O-CB 3.33Å; E179-E183 PolarHBondContact O-N 2.84Å; E183-I185 PolarHBondContact O-N 3.24Å; E183-S186 PolarHBondContact O-N 3.38Å; E183-S187 WeakPolarHBondContact O-CB 3.36Å; E183-S187 PolarHBondContact O-N 2.91Å; E183-S187 PolarHBondContact O-OG 3.27Å
184F90.5Very high77.4Confident93 Ų9381.2 Ų81.241%0.40845%0.449SS..Hα-helixtrans-58.1-49176.6-175.4-96000112L140 P141 E180 V181 S186 S187 T188L140-F184 HydrophobicContact CD2-CD1 3.55Å; L140-F184 HydrophobicContact CD2-CE1 3.82Å; P141-F184 HydrophobicContact CG-CB 3.83Å; P141-F184 HydrophobicContact CG-CD2 4.31Å; P141-F184 HydrophobicContact CG-CG 4.15Å; E180-F184 WeakPolarHBondContact O-CB 3.45Å; E180-F184 PolarHBondContact O-N 3.21Å; V181-F184 PolarHBondContact O-N 2.88Å; F184-S186 VanDerWaalsContact C-N 3.3Å; F184-S186 PolarHBondContact O-N 3.37Å; F184-S187 PolarHBondContact O-N 2.67Å; F184-S187 PolarHBondContact O-OG 3.23Å; F184-T188 PolarHBondContact O-N 3.17Å; F184-T188 VanDerWaalsContact O-N 3.1Å
185I87.4Confident75.1Confident31 Ų3186.7 Ų86.716%0.15948%0.476CS..Hα-helixtrans-62.9-36.5178.8-66.2160.3000111.8V181 E183 T188 S189V181-I185 HydrophobicContact CG1-CD1 3.63Å; V181-I185 WeakPolarHBondContact O-CD1 3.22Å; V181-I185 VanDerWaalsContact O-CG1 3.26Å; V181-I185 WeakPolarHBondContact O-CG1 3.44Å; V181-I185 PolarHBondContact O-N 3.49Å; E183-I185 PolarHBondContact O-N 3.24Å; I185-T188 VanDerWaalsContact O-CG2 3.31Å; I185-T188 WeakPolarHBondContact O-CG2 3.22Å; I185-S189 PolarHBondContact O-OG 2.91Å
186S86.1Confident72.7Confident55 Ų5588.4 Ų88.439%0.38549%0.49SS..Hα-helixtrans-76.4-28.2179.1-56.60000112.8K182 E183 F184 S189K182-S186 WeakPolarHBondContact O-CB 3.36Å; K182-S186 PolarHBondContact O-N 3.49Å; K182-S186 PolarHBondContact O-OG 3.16Å; E183-S186 PolarHBondContact O-N 3.38Å; F184-S186 VanDerWaalsContact C-N 3.3Å; F184-S186 PolarHBondContact O-N 3.37Å; S186-S189 PolarHBondContact O-OG 3.02Å
187S83.9Confident70.3Confident63 Ų6386.1 Ų86.144%0.44150%0.501SS..Hα-helixtrans-75.2-41.517773.10000112E183 F184 S189 R190E183-S187 WeakPolarHBondContact O-CB 3.36Å; E183-S187 PolarHBondContact O-N 2.91Å; E183-S187 PolarHBondContact O-OG 3.27Å; F184-S187 PolarHBondContact O-N 2.67Å; F184-S187 PolarHBondContact O-OG 3.23Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.66Å; S187-R190 PolarHBondContact O-N 2.86Å
188T72.1Confident68.2Low76 Ų7693.2 Ų93.247%0.46654%0.539SS..Hα-helixtrans-68.4-27.3-177.6-169.90000112.9F184 I185 R190 T191F184-T188 PolarHBondContact O-N 3.17Å; F184-T188 VanDerWaalsContact O-N 3.1Å; I185-T188 VanDerWaalsContact O-CG2 3.31Å; I185-T188 WeakPolarHBondContact O-CG2 3.22Å; T188-R190 PolarHBondContact O-N 2.83Å; T188-T191 PolarHBondContact O-N 3.05Å; T188-T191 PolarHBondContact O-OG1 3.15Å
189S60.6Low66Low88 Ų8898.7 Ų98.762%0.61558%0.577SS**THydrogen-bonded Turntrans-72.2-11.1177.931.20000113.9I185 S186 S187I185-S189 PolarHBondContact O-OG 2.91Å; S186-S189 PolarHBondContact O-OG 3.02Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.66Å
190R52.3Low64.2Low193 Ų19398.2 Ų98.273%0.72859%0.585SS**THydrogen-bonded Turntrans-92.7-19.6175-71.6-175.3179.2132.81.3114.5S187 T188 S192 S193S187-R190 PolarHBondContact O-N 2.86Å; T188-R190 PolarHBondContact O-N 2.83Å; R190-S192 VanDerWaalsContact C-N 3.31Å; R190-S192 PolarHBondContact O-N 3.39Å; R190-S193 PolarHBondContact O-OG 3.27Å
191T50Low62.1Low110 Ų110104.6 Ų104.668%0.67562%0.615SS**THydrogen-bonded Turntrans-79.4-2.5-172.315.30000115.8T188T188-T191 PolarHBondContact O-N 3.05Å; T188-T191 PolarHBondContact O-OG1 3.15Å
192S49.4Very low60.4Low119 Ų119116 Ų11683%0.83267%0.673SS**THydrogen-bonded Turntrans-92.56.3-178.7-57.10000114.7R190R190-S192 VanDerWaalsContact C-N 3.31Å; R190-S192 PolarHBondContact O-N 3.39Å
193S44.2Very low58.9Low103 Ų103119.2 Ų119.272%0.7270%0.695SS**SBendtrans-122.85.3-175.155.30000117R190R190-S193 PolarHBondContact O-OG 3.27Å
194E41.1Very low57.3Low171 Ų171117.9 Ų117.980%0.79970%0.697SS**  trans-119.577.1-178.3-86.4-179.4121.200113.3
195T43.5Very low55.4Low149 Ų149119.3 Ų119.391%0.91471%0.713SS**  trans-155.367.4142.2-29.90000110.3
196A41.6Very low53.5Low99 Ų99124.5 Ų124.582%0.81875%0.745SS**  trans-87.9124.4159.400000108.7
197G38Very low51.5Low76 Ų76128.8 Ų128.878%0.78477%0.768SS**  trans7490.6152.800000117.8
198N45.2Very low49.3Very low154 Ų154133.2 Ų133.282%0.82479%0.79SS**  trans-155.2102.7134.4-155.319000110.7
199S47.4Very low47.7Very low114 Ų114137.3 Ų137.380%0.79781%0.813SS**PPolyproline II helixtrans-89.3124.3162.3-67.50000108.4
200P53Low46.7Very low115 Ų115141.1 Ų141.175%0.74783%0.828SS**PPolyproline II helixtrans-83.6127.8162.5-2.921.5000109.2
201Q46.2Very low46.3Very low191 Ų191136.8 Ų136.889%0.89384%0.836SS**PPolyproline II helixtrans-69.2128.3161.8-62.5-165.413.300109.6
202I55.5Low45.9Very low240 Ų240139.2 Ų139.2100%1.23185%0.851SS**  trans-142.80136.8-55.9-173.6000106.6

Retrieved 202 of 202 residues in 144.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).