A0A087XUG2_POEFO Loading...

Ribonucleoprotein, PTB binding 2

AlphaFold DB , UniProt , Accession A0A087XUG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 804 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
1M47.4Very low42.5Very low69 Ų6948.9 Ų48.934%0.3425%0.247SC..  0139.20-113.7-178173.100109.4G47 L71 E103M1-G47 VanDerWaalsContact SD-CA 3.57Å; M1-L71 HydrophobicContact CE-CD1 4.19Å; M1-L71 HydrophobicContact CE-CD2 4.5Å; M1-L71 HydrophobicContact SD-CD2 4.44Å; M1-E103 VanDerWaalsContact CA-OE2 3.27Å; M1-E103 WeakPolarHBondContact CA-OE2 3.45Å; M1-E103 PolarHBondContact N-OE2 3.25Å
2L41.8Very low42.3Very low38 Ų3852.3 Ų52.320%0.19928%0.277CS..  trans-121128.2-175.7-122.8160.7000110.4F41 T43 Q72L2-F41 HydrophobicContact CD2-CB 4.06Å; L2-T43 HydrophobicContact CG-CG2 4.44Å; L2-T43 WeakPolarHBondContact CG-OG1 3.43Å; L2-Q72 HydrophobicContact CB-CB 4.15Å; L2-Q72 WeakPolarHBondContact O-CB 3.44Å; L2-Q72 PolarHBondContact O-N 3.43Å
3V44.2Very low42.5Very low0 Ų052.2 Ų52.20%029%0.288CS..EExtended strand (participates in β ladder)trans-96.8133.3178.5-170.50000109.2V5 V42 L44 A50 I54 V69 T70V3-V5 HydrophobicContact CG1-CG2 4.04Å; V3-V42 WeakPolarHBondContact CB-O 3.28Å; V3-V42 PolarHBondContact N-O 3.45Å; V3-V42 PolarHBondContact O-N 3.48Å; V3-L44 HydrophobicContact CG2-CD1 3.85Å; V3-L44 HydrophobicContact CG2-CG 3.97Å; V3-A50 HydrophobicContact CG2-CB 3.46Å; V3-A50 VanDerWaalsContact CG2-CB 3.46Å; V3-I54 HydrophobicContact CG1-CG1 4.39Å; V3-V69 HydrophobicContact CG1-CG1 3.67Å; V3-T70 WeakPolarHBondContact CG1-O 3.47Å
4F40.3Very low42.6Very low49 Ų4954.1 Ų54.122%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-94.6121.6174.5-173.2-90.7000108.7F6 P39 F41 V69 T70 Q72F4-F6 HydrophobicContact CE1-CB 4.45Å; F4-P39 HydrophobicContact CD2-CB 4.26Å; F4-P39 HydrophobicContact CE1-CB 3.83Å; F4-P39 HydrophobicContact CE2-CB 3.49Å; F4-P39 VanDerWaalsContact CE2-CB 3.49Å; F4-P39 HydrophobicContact CE2-CG 3.58Å; F4-P39 HydrophobicContact CZ-CB 3.24Å; F4-P39 HydrophobicContact CZ-CG 3.52Å; F4-F41 HydrophobicContact CD2-CD1 4.18Å; F4-F41 AromaticContact CD2-CE1 3.68Å; F4-F41 HydrophobicContact CD2-CE1 3.68Å; F4-F41 HydrophobicContact CD2-CZ 4.24Å; F4-F41 AromaticContact CE2-CE1 3.9Å; F4-F41 HydrophobicContact CE2-CE1 3.9Å; F4-F41 HydrophobicContact CE2-CZ 4.01Å; F4-V69 WeakPolarHBondContact O-CA 3.48Å; F4-T70 PolarHBondContact N-O 3.35Å; F4-T70 PolarHBondContact O-N 3.42Å; F4-Q72 HydrophobicContact CB-CB 4.3Å
5V48.2Very low42.7Very low1 Ų153.1 Ų53.11%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-124.4104.2-175.4-166.40000107.9V3 V7 F20 A40 V42 I67 V69V3-V5 HydrophobicContact CG1-CG2 4.04Å; V5-V7 HydrophobicContact CB-CG2 4.12Å; V5-V7 HydrophobicContact CG1-CG2 3.51Å; V5-V7 PolarHBondContact O-N 3.27Å; V5-V7 VanDerWaalsContact O-N 3.07Å; V5-F20 HydrophobicContact CG1-CE2 4.22Å; V5-F20 HydrophobicContact CG1-CZ 4.08Å; V5-F20 HydrophobicContact CG2-CE2 4.1Å; V5-F20 HydrophobicContact CG2-CZ 3.71Å; V5-A40 HydrophobicContact CB-CB 4.43Å; V5-A40 PolarHBondContact N-O 2.99Å; V5-A40 WeakPolarHBondContact O-CA 3.46Å; V5-A40 WeakPolarHBondContact O-CB 3.29Å; V5-A40 PolarHBondContact O-N 3.12Å; V5-V42 HydrophobicContact CB-CG2 4.18Å; V5-V42 HydrophobicContact CG2-CB 3.92Å; V5-V42 HydrophobicContact CG2-CG2 3.48Å; V5-V42 VanDerWaalsContact CG2-CG2 3.48Å; V5-I67 HydrophobicContact CG1-CD1 4.47Å; V5-V69 HydrophobicContact CG1-CG2 4.03Å; V5-V69 HydrophobicContact CG2-CG1 4.31Å
6F38.8Very low43.1Very low95 Ų9550.2 Ų50.242%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-77.896.3178.5-169-89.9000110.1F4 P39 I67 N68F4-F6 HydrophobicContact CE1-CB 4.45Å; F6-P39 HydrophobicContact CD2-CB 4.19Å; F6-I67 WeakPolarHBondContact O-CB 3.1Å; F6-I67 WeakPolarHBondContact O-CG2 3.34Å; F6-N68 HydrophobicContact CB-CB 4.23Å; F6-N68 WeakPolarHBondContact CB-O 3.29Å; F6-N68 PolarHBondContact N-O 3.19Å
7V40.9Very low43.5Very low21 Ų2153.1 Ų53.113%0.12730%0.298CS..  trans-107.9115.4-175-170.50000111.4V5 V11 A40V5-V7 HydrophobicContact CB-CG2 4.12Å; V5-V7 HydrophobicContact CG1-CG2 3.51Å; V5-V7 PolarHBondContact O-N 3.27Å; V5-V7 VanDerWaalsContact O-N 3.07Å; V7-V11 HydrophobicContact CG1-CB 3.34Å; V7-V11 HydrophobicContact CG1-CG1 3.61Å; V7-V11 HydrophobicContact CG1-CG2 3.42Å; V7-V11 VanDerWaalsContact CG1-CG2 3.42Å; V7-A40 HydrophobicContact CG2-CB 4.03Å
8P37.5Very low43.9Very low19 Ų1954.9 Ų54.912%0.12331%0.314CS..  trans-86.1121.8-167.729.8-34.8000116.2H10 R65P8-H10 VanDerWaalsContact C-N 3.34Å; P8-H10 PolarHBondContact O-N 2.94Å; P8-R65 HydrophobicContact CG-CB 3.59Å; P8-R65 HydrophobicContact CG-CG 4.22Å; P8-R65 PolarHBondContact O-NH1 3.29Å
9T41.3Very low44.4Very low69 Ų6954.2 Ų54.242%0.42331%0.309SS..SBendtrans50.8-31.1159.4109.30000122.5P37 R65T9-P37 HydrophobicContact CG2-CG 3.71Å; T9-R65 PolarHBondContact OG1-NH1 3.37Å; T9-R65 PolarHBondContact OG1-NH2 3.47Å
10H42.2Very low44.9Very low141 Ų14151.8 Ų51.865%0.65329%0.294SS*.SBendtrans-134.825.7-173.5-78-63000114.3P8 R63P8-H10 VanDerWaalsContact C-N 3.34Å; P8-H10 PolarHBondContact O-N 2.94Å; H10-R63 PolarHBondContact O-NH1 3.36Å
11V44.7Very low45.1Very low36 Ų3654 Ų5422%0.21831%0.311CS..  trans-103.196.7179.3-1720000108.6V7 L15 L19V7-V11 HydrophobicContact CG1-CB 3.34Å; V7-V11 HydrophobicContact CG1-CG1 3.61Å; V7-V11 HydrophobicContact CG1-CG2 3.42Å; V7-V11 VanDerWaalsContact CG1-CG2 3.42Å; V11-L15 HydrophobicContact CG1-CB 3.48Å; V11-L15 VanDerWaalsContact CG1-CB 3.48Å; V11-L15 HydrophobicContact CG1-CD2 3.85Å; V11-L15 HydrophobicContact CG1-CG 4.3Å; V11-L19 HydrophobicContact CG1-CD1 4.47Å
12C40.5Very low45.3Very low90 Ų9055.8 Ų55.861%0.60833%0.33SS*.  trans-63.1155.6176.9-1680000110.9S14 L15C12-S14 PolarHBondContact O-N 3.39Å; C12-L15 PolarHBondContact O-N 3.14Å
13A45Very low45.7Very low50 Ų5055.7 Ų55.741%0.41333%0.328SS..Hα-helixtrans-48.9-38.1-174.100000114L15 S16 L31A13-L15 VanDerWaalsContact C-N 3.26Å; A13-L15 PolarHBondContact O-N 3.12Å; A13-S16 WeakPolarHBondContact O-CB 3.46Å; A13-S16 PolarHBondContact O-N 3.44Å; A13-S16 VanDerWaalsContact O-N 3.13Å; A13-L31 HydrophobicContact CB-CD1 3.58Å
14S42.9Very low46.1Very low80 Ų8059.7 Ų59.756%0.55935%0.352SS*.Hα-helixtrans-57.5-33.6176.8-42.80000113.6C12 S16 L17 C18C12-S14 PolarHBondContact O-N 3.39Å; S14-S16 VanDerWaalsContact C-N 3.34Å; S14-S16 PolarHBondContact O-N 3.45Å; S14-L17 WeakPolarHBondContact O-CB 3.37Å; S14-L17 PolarHBondContact O-N 2.99Å; S14-C18 PolarHBondContact O-N 3.07Å; S14-C18 VanDerWaalsContact O-N 3.17Å; S14-C18 PolarHBondContact O-SG 2.85Å
15L44.3Very low46.4Very low38 Ų3859.6 Ų59.620%0.19935%0.354CS..Hα-helixtrans-75.4-22.6-179.8-131.283.8000113V11 C12 A13 L17 C18 L19 V62 R63V11-L15 HydrophobicContact CG1-CB 3.48Å; V11-L15 VanDerWaalsContact CG1-CB 3.48Å; V11-L15 HydrophobicContact CG1-CD2 3.85Å; V11-L15 HydrophobicContact CG1-CG 4.3Å; C12-L15 PolarHBondContact O-N 3.14Å; A13-L15 VanDerWaalsContact C-N 3.26Å; A13-L15 PolarHBondContact O-N 3.12Å; L15-L17 PolarHBondContact O-N 3.29Å; L15-C18 HydrophobicContact CG-CB 4.34Å; L15-C18 CarbonylContact O-C 3.52Å; L15-C18 PolarHBondContact O-N 3Å; L15-C18 VanDerWaalsContact O-N 3.15Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.22Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.44Å; L15-V62 HydrophobicContact CD2-CG1 4.44Å; L15-R63 HydrophobicContact CD2-CG 4.16Å; L15-R63 VanDerWaalsContact CD2-NE 3.33Å
16S48.9Very low46Very low7 Ų762.9 Ų62.95%0.04938%0.377CS..Hα-helixtrans-64.3-36.9172.2-161.90000109.9A13 S14 L19 F20A13-S16 WeakPolarHBondContact O-CB 3.46Å; A13-S16 PolarHBondContact O-N 3.44Å; A13-S16 VanDerWaalsContact O-N 3.13Å; S14-S16 VanDerWaalsContact C-N 3.34Å; S14-S16 PolarHBondContact O-N 3.45Å; S16-L19 PolarHBondContact O-N 2.91Å; S16-F20 VanDerWaalsContact O-CD2 3.3Å; S16-F20 WeakPolarHBondContact O-CD2 3.38Å; S16-F20 PolarHBondContact O-N 3.3Å; S16-F20 VanDerWaalsContact O-N 3.12Å
17L50.7Low46.1Very low100 Ų10060.8 Ų60.852%0.52437%0.374SS..Hα-helixtrans-66.7-38.4171-70.9152.3000111.6S14 L15 L19 F20 L25 L29S14-L17 WeakPolarHBondContact O-CB 3.37Å; S14-L17 PolarHBondContact O-N 2.99Å; L15-L17 PolarHBondContact O-N 3.29Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.39Å; L17-F20 CarbonylContact O-C 3.48Å; L17-L25 HydrophobicContact CD2-CD1 3.52Å; L17-L25 HydrophobicContact CG-CD1 4.5Å; L17-L29 HydrophobicContact CD2-CD1 4.37Å; L17-L29 HydrophobicContact CG-CD1 4.04Å
18C50.1Low46.1Very low85 Ų8565.5 Ų65.557%0.57441%0.405SS*.Hα-helixtrans-72.8-12.9175.2-55.10000115.2S14 L15 P21S14-C18 PolarHBondContact O-N 3.07Å; S14-C18 VanDerWaalsContact O-N 3.17Å; S14-C18 PolarHBondContact O-SG 2.85Å; L15-C18 HydrophobicContact CG-CB 4.34Å; L15-C18 CarbonylContact O-C 3.52Å; L15-C18 PolarHBondContact O-N 3Å; L15-C18 VanDerWaalsContact O-N 3.15Å; C18-P21 WeakPolarHBondContact O-CD 3.48Å
19L53.6Low46.4Very low41 Ų4166.7 Ų66.722%0.21541%0.41CS..Hα-helixtrans-97.4-24175.9-72.4163.5000112.8V11 L15 S16 L17 P21 V62V11-L19 HydrophobicContact CG1-CD1 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CD1 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.22Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.44Å; S16-L19 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.39Å; L19-P21 WeakPolarHBondContact O-CD 3.49Å; L19-V62 HydrophobicContact CD1-CG1 3.82Å; L19-V62 HydrophobicContact CD1-CG2 4.19Å; L19-V62 HydrophobicContact CD2-CB 4.49Å; L19-V62 HydrophobicContact CD2-CG1 4.04Å; L19-V62 HydrophobicContact CD2-CG2 3.6Å
20F53.8Low46.4Very low6 Ų674 Ų743%0.02643%0.43CS..SBendtrans-111.736.9173.7-64.6-77.7000113.7V5 S16 L17 S22 F23 V42 L44 A53 L57V5-F20 HydrophobicContact CG1-CE2 4.22Å; V5-F20 HydrophobicContact CG1-CZ 4.08Å; V5-F20 HydrophobicContact CG2-CE2 4.1Å; V5-F20 HydrophobicContact CG2-CZ 3.71Å; S16-F20 VanDerWaalsContact O-CD2 3.3Å; S16-F20 WeakPolarHBondContact O-CD2 3.38Å; S16-F20 PolarHBondContact O-N 3.3Å; S16-F20 VanDerWaalsContact O-N 3.12Å; L17-F20 CarbonylContact O-C 3.48Å; F20-S22 PolarHBondContact O-N 3.26Å; F20-F23 HydrophobicContact CB-CB 4.32Å; F20-F23 HydrophobicContact CB-CD2 4.34Å; F20-F23 HydrophobicContact CD1-CB 4.45Å; F20-F23 AromaticContact CD1-CD2 3.75Å; F20-F23 HydrophobicContact CD1-CD2 3.75Å; F20-F23 HydrophobicContact CD1-CE2 4.33Å; F20-F23 HydrophobicContact CD1-CG 4.32Å; F20-F23 PolarHBondContact O-N 3.41Å; F20-F23 VanDerWaalsContact O-N 3.13Å; F20-V42 HydrophobicContact CD2-CG1 4.29Å; F20-V42 HydrophobicContact CE2-CG1 4.28Å; F20-V42 HydrophobicContact CE2-CG2 4.13Å; F20-L44 HydrophobicContact CD1-CD2 4.29Å; F20-A53 HydrophobicContact CE1-CB 3.96Å; F20-L57 HydrophobicContact CD1-CD1 4.04Å; F20-L57 HydrophobicContact CE1-CD1 3.37Å; F20-L57 HydrophobicContact CZ-CD1 3.68Å
21P50.5Low46.5Very low99 Ų9970 Ų7064%0.64341%0.413SS*.THydrogen-bonded Turntrans-69.9-24.1-174.532.8-36.6000112.4C18 L19 F23C18-P21 WeakPolarHBondContact O-CD 3.48Å; L19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-F23 VanDerWaalsContact C-N 3.34Å
22S51.1Low46.3Very low106 Ų10678.5 Ų78.574%0.74144%0.441SS*.THydrogen-bonded Turntrans-84.4-4.4176.3-44.20000113.6F20F20-S22 PolarHBondContact O-N 3.26Å
23F50.8Low46.2Very low37 Ų3780.8 Ų80.816%0.16245%0.447CS..SBendtrans-119.3138-172.5-62.1-81.3000111.2F20 P21 L25 L44 Q49 D52 A53F20-F23 HydrophobicContact CB-CB 4.32Å; F20-F23 HydrophobicContact CB-CD2 4.34Å; F20-F23 HydrophobicContact CD1-CB 4.45Å; F20-F23 AromaticContact CD1-CD2 3.75Å; F20-F23 HydrophobicContact CD1-CD2 3.75Å; F20-F23 HydrophobicContact CD1-CE2 4.33Å; F20-F23 HydrophobicContact CD1-CG 4.32Å; F20-F23 PolarHBondContact O-N 3.41Å; F20-F23 VanDerWaalsContact O-N 3.13Å; P21-F23 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.16Å; F23-L44 HydrophobicContact CB-CD2 4.03Å; F23-L44 HydrophobicContact CD1-CD1 4.37Å; F23-Q49 HydrophobicContact CD1-CB 3.86Å; F23-Q49 HydrophobicContact CD1-CG 4.03Å; F23-Q49 HydrophobicContact CE1-CB 4.36Å; F23-Q49 WeakPolarHBondContact CE1-O 3.39Å; F23-D52 HydrophobicContact CE1-CB 4.04Å; F23-D52 HydrophobicContact CZ-CB 4.35Å; F23-A53 HydrophobicContact CE1-CB 4.22Å; F23-A53 HydrophobicContact CE2-CB 4.36Å; F23-A53 HydrophobicContact CZ-CB 4.04Å
24V51.1Low45.9Very low83 Ų8385.5 Ų85.550%0.50346%0.46SS..  trans-85.6113.5-176.5-178.30000109.1S26 L45V24-S26 PolarHBondContact O-N 3.42Å; V24-L45 HydrophobicContact CB-CB 4.22Å; V24-L45 HydrophobicContact CB-CD2 4.21Å; V24-L45 HydrophobicContact CG1-CD1 4.23Å; V24-L45 HydrophobicContact CG1-CD2 4.23Å; V24-L45 PolarHBondContact O-N 3.05Å
25L46.8Very low46Very low47 Ų4790 Ų9025%0.24648%0.478CS..BIsolated β-bridgetrans-75.6115.6175.5-69.2170.7000110.3L17 F23 S27 L29 V42 L44L17-L25 HydrophobicContact CD2-CD1 3.52Å; L17-L25 HydrophobicContact CG-CD1 4.5Å; F23-L25 PolarHBondContact O-N 3.16Å; L25-S27 PolarHBondContact O-N 3.19Å; L25-L29 HydrophobicContact CD1-CD1 3.82Å; L25-L29 HydrophobicContact CD1-CG 4.18Å; L25-V42 HydrophobicContact CD2-CG1 3.68Å; L25-L44 HydrophobicContact CD2-CD2 3.94Å
26S39.7Very low46Very low71 Ų7194 Ų9450%0.49750%0.504SS..SBendtrans-71.2-16.3-177.7-166.70000113.4V24 T43V24-S26 PolarHBondContact O-N 3.42Å; S26-T43 PolarHBondContact N-O 2.96Å
27S42.8Very low46.2Very low51 Ų5196.6 Ų96.636%0.35752%0.52SS..SBendtrans-154.6158.8179.165.70000111.6L25 L29L25-S27 PolarHBondContact O-N 3.19Å; S27-L29 PolarHBondContact O-N 3.44Å
28P41Very low46.5Very low120 Ų12093.7 Ų93.778%0.77951%0.507SS*.  trans-61.5122.9176.323.9-34.1000111.6R30P28-R30 PolarHBondContact O-N 3.39Å; P28-R30 VanDerWaalsContact O-N 3.07Å
29L43.6Very low47.1Very low43 Ų4391.2 Ų91.223%0.22549%0.49CS..  trans-40.9106.5-177.1-101.9159.3000113.5L17 L25 S27 L31 V42L17-L29 HydrophobicContact CD2-CD1 4.37Å; L17-L29 HydrophobicContact CG-CD1 4.04Å; L25-L29 HydrophobicContact CD1-CD1 3.82Å; L25-L29 HydrophobicContact CD1-CG 4.18Å; S27-L29 PolarHBondContact O-N 3.44Å; L29-L31 HydrophobicContact CB-CG 4.42Å; L29-L31 HydrophobicContact CD2-CD2 4.19Å; L29-L31 HydrophobicContact CD2-CG 4.26Å; L29-L31 PolarHBondContact O-N 3.46Å; L29-V42 HydrophobicContact CD2-CG2 4.01Å
30R41.3Very low48Very low224 Ų22489.8 Ų89.885%0.84549%0.485SS*.  trans-87.854.2-171.6-139.8177.4-162.6176.68.1112.9P28 R32P28-R30 PolarHBondContact O-N 3.39Å; P28-R30 VanDerWaalsContact O-N 3.07Å; R30-R32 PolarHBondContact O-N 2.96Å
31L43.3Very low48.8Very low57 Ų5792.8 Ų92.830%0.29850%0.498SS..  trans-63.7104.2-177.4-65.9172.4000111.7A13 L29 L33 A40A13-L31 HydrophobicContact CB-CD1 3.58Å; L29-L31 HydrophobicContact CB-CG 4.42Å; L29-L31 HydrophobicContact CD2-CD2 4.19Å; L29-L31 HydrophobicContact CD2-CG 4.26Å; L29-L31 PolarHBondContact O-N 3.46Å; L31-L33 PolarHBondContact O-N 3.07Å; L31-A40 HydrophobicContact CD2-CB 3.79Å
32R40.3Very low50.2Low213 Ų21388.1 Ų88.180%0.80447%0.467SS*.  trans-94.469.6-175.8-162.8-178.6-165171.33.4111.7R30 P38R30-R32 PolarHBondContact O-N 2.96Å; R32-P38 WeakPolarHBondContact O-CG 3.46Å
33L37.9Very low51.5Low138 Ų13885 Ų8572%0.72344%0.444SS*.  trans-61.8133.1-178.5-75.7153.2000112.8L31L31-L33 PolarHBondContact O-N 3.07Å
34H39.6Very low52.9Low149 Ų14983.3 Ų83.369%0.6944%0.437SS*.  trans-135.2163.8167.3-109.4-112.9000108.4V36H34-V36 CarbonylContact O-C 3.58Å; H34-V36 PolarHBondContact O-N 3.13Å
35N44.8Very low54.2Low175 Ų17583.5 Ų83.594%0.93643%0.434SS*.SBendtrans-72.912-165.8-76.52000117
36V45Very low55.8Low123 Ų12384.6 Ų84.675%0.74544%0.44SS*.SBendtrans-125.4122.7155.6178.90000104.6H34 P38H34-V36 CarbonylContact O-C 3.58Å; H34-V36 PolarHBondContact O-N 3.13Å; V36-P38 WeakPolarHBondContact O-CD 3.32Å
37P52.1Low57.6Low60 Ų6082.4 Ų82.439%0.3943%0.429SS..  trans-59.3109.4-161.720.6-32.3000110.8T9T9-P37 HydrophobicContact CG2-CG 3.71Å
38P57.5Low59.5Low39 Ų3985 Ų8525%0.25344%0.439SS..PPolyproline II helixtrans-78160.4-17331.4-33000110.6R32 V36R32-P38 WeakPolarHBondContact O-CG 3.46Å; V36-P38 WeakPolarHBondContact O-CD 3.32Å
39P63.3Low61.5Low34 Ų3481.1 Ų81.122%0.22141%0.41CS..PPolyproline II helixtrans-53.7143166.724.9-35.2000110.9F4 F6 F41F4-P39 HydrophobicContact CD2-CB 4.26Å; F4-P39 HydrophobicContact CE1-CB 3.83Å; F4-P39 HydrophobicContact CE2-CB 3.49Å; F4-P39 VanDerWaalsContact CE2-CB 3.49Å; F4-P39 HydrophobicContact CE2-CG 3.58Å; F4-P39 HydrophobicContact CZ-CB 3.24Å; F4-P39 HydrophobicContact CZ-CG 3.52Å; F6-P39 HydrophobicContact CD2-CB 4.19Å; P39-F41 HydrophobicContact CG-CE2 4.14Å; P39-F41 HydrophobicContact CG-CZ 4.13Å; P39-F41 WeakPolarHBondContact O-CD2 3.26Å; P39-F41 WeakPolarHBondContact O-CE2 3.3Å
40A71.4Confident63.3Low11 Ų1179.1 Ų79.19%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-84142.1172.500000109.8V5 V7 L31V5-A40 HydrophobicContact CB-CB 4.43Å; V5-A40 PolarHBondContact N-O 2.99Å; V5-A40 WeakPolarHBondContact O-CA 3.46Å; V5-A40 WeakPolarHBondContact O-CB 3.29Å; V5-A40 PolarHBondContact O-N 3.12Å; V7-A40 HydrophobicContact CG2-CB 4.03Å; L31-A40 HydrophobicContact CD2-CB 3.79Å
41F72.1Confident65.3Low69 Ų6972.5 Ų72.530%0.30338%0.379SS..EExtended strand (participates in β ladder)trans-112.5123.2177.7-63.2-89.2000108.1L2 F4 P39 Q72L2-F41 HydrophobicContact CD2-CB 4.06Å; F4-F41 HydrophobicContact CD2-CD1 4.18Å; F4-F41 AromaticContact CD2-CE1 3.68Å; F4-F41 HydrophobicContact CD2-CE1 3.68Å; F4-F41 HydrophobicContact CD2-CZ 4.24Å; F4-F41 AromaticContact CE2-CE1 3.9Å; F4-F41 HydrophobicContact CE2-CE1 3.9Å; F4-F41 HydrophobicContact CE2-CZ 4.01Å; P39-F41 HydrophobicContact CG-CE2 4.14Å; P39-F41 HydrophobicContact CG-CZ 4.13Å; P39-F41 WeakPolarHBondContact O-CD2 3.26Å; P39-F41 WeakPolarHBondContact O-CE2 3.3Å; F41-Q72 HydrophobicContact CD1-CG 4.43Å; F41-Q72 VanDerWaalsContact CD1-OE1 3.31Å; F41-Q72 HydrophobicContact CE1-CG 4.3Å
42V79.6Confident67.3Low0 Ų073 Ų730%038%0.382CS..EExtended strand (participates in β ladder)trans-127.4108.7-170.6-174.90000109.6V3 V5 F20 L25 L29 L44V3-V42 WeakPolarHBondContact CB-O 3.28Å; V3-V42 PolarHBondContact N-O 3.45Å; V3-V42 PolarHBondContact O-N 3.48Å; V5-V42 HydrophobicContact CB-CG2 4.18Å; V5-V42 HydrophobicContact CG2-CB 3.92Å; V5-V42 HydrophobicContact CG2-CG2 3.48Å; V5-V42 VanDerWaalsContact CG2-CG2 3.48Å; F20-V42 HydrophobicContact CD2-CG1 4.29Å; F20-V42 HydrophobicContact CE2-CG1 4.28Å; F20-V42 HydrophobicContact CE2-CG2 4.13Å; L25-V42 HydrophobicContact CD2-CG1 3.68Å; L29-V42 HydrophobicContact CD2-CG2 4.01Å; V42-L44 HydrophobicContact CG1-CD2 3.68Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; V42-L44 PolarHBondContact O-N 3.35Å
43T77.8Confident69.4Low41 Ų4162.9 Ų62.925%0.25234%0.344SS..  trans-86.9100.5174.9-45.80000109.5L2 S26L2-T43 HydrophobicContact CG-CG2 4.44Å; L2-T43 WeakPolarHBondContact CG-OG1 3.43Å; S26-T43 PolarHBondContact N-O 2.96Å
44L80.7Confident71.7Confident2 Ų257.7 Ų57.71%0.0132%0.316CS..BIsolated β-bridgetrans-79.6168.3171.2-57.4-174.4000110.9V3 F20 F23 L25 V42 Q49 A53V3-L44 HydrophobicContact CG2-CD1 3.85Å; V3-L44 HydrophobicContact CG2-CG 3.97Å; F20-L44 HydrophobicContact CD1-CD2 4.29Å; F23-L44 HydrophobicContact CB-CD2 4.03Å; F23-L44 HydrophobicContact CD1-CD1 4.37Å; L25-L44 HydrophobicContact CD2-CD2 3.94Å; V42-L44 HydrophobicContact CG1-CD2 3.68Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; V42-L44 PolarHBondContact O-N 3.35Å; L44-Q49 HydrophobicContact CB-CB 4.23Å; L44-Q49 HydrophobicContact CD1-CB 4.2Å; L44-Q49 VanDerWaalsContact CD1-O 3.27Å; L44-Q49 WeakPolarHBondContact CD1-O 3.4Å; L44-A53 HydrophobicContact CD1-CB 3.66Å
45L77.9Confident73.9Confident87 Ų8759.4 Ų59.446%0.45532%0.317SS..SBendtrans-64.8-49-178.5-160.372.8000112.8V24V24-L45 HydrophobicContact CB-CB 4.22Å; V24-L45 HydrophobicContact CB-CD2 4.21Å; V24-L45 HydrophobicContact CG1-CD1 4.23Å; V24-L45 HydrophobicContact CG1-CD2 4.23Å; V24-L45 PolarHBondContact O-N 3.05Å
46N79.4Confident75.8Confident69 Ų6955 Ų5537%0.36930%0.3SS..  trans-126164.6-168.8-7130.7000112.4D48 Q49 A50N46-D48 VanDerWaalsContact C-N 3.33Å; N46-D48 WeakPolarHBondContact CB-OD2 3.41Å; N46-D48 PolarHBondContact ND2-OD2 3.48Å; N46-D48 VanDerWaalsContact ND2-OD2 3.16Å; N46-Q49 HydrophobicContact CB-CB 4.41Å; N46-Q49 HydrophobicContact CB-CG 4.38Å; N46-A50 PolarHBondContact O-N 3.03Å
47G79.1Confident77.6Confident26 Ų2650.1 Ų50.127%0.26827%0.269SS..Hα-helixtrans-65.2-34.6166.800000113.1M1 A50 Q51M1-G47 VanDerWaalsContact SD-CA 3.57Å; G47-A50 WeakPolarHBondContact O-CA 3.5Å; G47-A50 VanDerWaalsContact O-CB 3.31Å; G47-A50 WeakPolarHBondContact O-CB 3.41Å; G47-A50 PolarHBondContact O-N 2.91Å; G47-A50 VanDerWaalsContact O-N 3.11Å; G47-Q51 WeakPolarHBondContact O-CG 3.31Å; G47-Q51 PolarHBondContact O-N 3.21Å
48D82.3Confident79.2Confident105 Ų10550.7 Ų50.756%0.56127%0.267SS*.Hα-helixtrans-64.8-48.4179-29.1-69.5000110.3N46 A50 Q51 D52N46-D48 VanDerWaalsContact C-N 3.33Å; N46-D48 WeakPolarHBondContact CB-OD2 3.41Å; N46-D48 PolarHBondContact ND2-OD2 3.48Å; N46-D48 VanDerWaalsContact ND2-OD2 3.16Å; D48-A50 PolarHBondContact O-N 3.18Å; D48-Q51 PolarHBondContact O-N 3.44Å; D48-Q51 VanDerWaalsContact O-N 3.08Å; D48-D52 PolarHBondContact O-N 3.46Å
49Q81.8Confident80.5Confident38 Ų3854.1 Ų54.118%0.17828%0.279CS..Hα-helixtrans-58.6-33.3172.5-71.9-172.632.400112.3F23 L44 N46 A53F23-Q49 HydrophobicContact CD1-CB 3.86Å; F23-Q49 HydrophobicContact CD1-CG 4.03Å; F23-Q49 HydrophobicContact CE1-CB 4.36Å; F23-Q49 WeakPolarHBondContact CE1-O 3.39Å; L44-Q49 HydrophobicContact CB-CB 4.23Å; L44-Q49 HydrophobicContact CD1-CB 4.2Å; L44-Q49 VanDerWaalsContact CD1-O 3.27Å; L44-Q49 WeakPolarHBondContact CD1-O 3.4Å; N46-Q49 HydrophobicContact CB-CB 4.41Å; N46-Q49 HydrophobicContact CB-CG 4.38Å; Q49-A53 WeakPolarHBondContact O-CB 3.42Å; Q49-A53 PolarHBondContact O-N 3.14Å
50A82.2Confident81.4Confident1 Ų153.9 Ų53.91%0.00828%0.278CS..Hα-helixtrans-68.2-44.1173.300000112.5V3 N46 G47 D48 I54 L71V3-A50 HydrophobicContact CG2-CB 3.46Å; V3-A50 VanDerWaalsContact CG2-CB 3.46Å; N46-A50 PolarHBondContact O-N 3.03Å; G47-A50 WeakPolarHBondContact O-CA 3.5Å; G47-A50 VanDerWaalsContact O-CB 3.31Å; G47-A50 WeakPolarHBondContact O-CB 3.41Å; G47-A50 PolarHBondContact O-N 2.91Å; G47-A50 VanDerWaalsContact O-N 3.11Å; D48-A50 PolarHBondContact O-N 3.18Å; A50-I54 WeakPolarHBondContact O-CB 3.41Å; A50-I54 WeakPolarHBondContact O-CD1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.5Å; A50-I54 PolarHBondContact O-N 2.94Å; A50-L71 HydrophobicContact CB-CD2 4Å
51Q83.9Confident81.9Confident86 Ų8658 Ų5840%0.40230%0.302SS..Hα-helixtrans-69-39.1177.8-66.6-66.87.800112.3G47 D48 I54 R55G47-Q51 WeakPolarHBondContact O-CG 3.31Å; G47-Q51 PolarHBondContact O-N 3.21Å; D48-Q51 PolarHBondContact O-N 3.44Å; D48-Q51 VanDerWaalsContact O-N 3.08Å; Q51-I54 PolarHBondContact O-N 3.24Å; Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.47Å; Q51-R55 PolarHBondContact O-N 3.02Å
52D84.6Confident82.2Confident68 Ų6855.3 Ų55.336%0.36429%0.291SS..Hα-helixtrans-69-39.2175.5-70.3-21.9000111.8F23 D48 R55 S56F23-D52 HydrophobicContact CE1-CB 4.04Å; F23-D52 HydrophobicContact CZ-CB 4.35Å; D48-D52 PolarHBondContact O-N 3.46Å; D52-R55 PolarHBondContact O-N 3.36Å; D52-R55 IonicContact OD1-CZ 3.51Å; D52-R55 IonicContact OD1-NH1 2.65Å; D52-R55 PolarHBondContact OD1-NH1 2.83Å; D52-R55 IonicContact OD1-NH2 3.68Å; D52-S56 WeakPolarHBondContact O-CB 3.33Å; D52-S56 PolarHBondContact O-N 3.35Å
53A83.7Confident82Confident0 Ų063.1 Ų63.10%032%0.321CS..Hα-helixtrans-60.6-43.417100000112.1F20 F23 L44 Q49 L57F20-A53 HydrophobicContact CE1-CB 3.96Å; F23-A53 HydrophobicContact CE1-CB 4.22Å; F23-A53 HydrophobicContact CE2-CB 4.36Å; F23-A53 HydrophobicContact CZ-CB 4.04Å; L44-A53 HydrophobicContact CD1-CB 3.66Å; Q49-A53 WeakPolarHBondContact O-CB 3.42Å; Q49-A53 PolarHBondContact O-N 3.14Å; A53-L57 WeakPolarHBondContact O-CB 3.26Å; A53-L57 PolarHBondContact O-N 2.97Å
54I86.4Confident81.9Confident28 Ų2864.6 Ų64.614%0.14434%0.344CS..Hα-helixtrans-62.6-55.1173.9-70160.6000109.5V3 A50 Q51 S56 L57 H58 V69 L71V3-I54 HydrophobicContact CG1-CG1 4.39Å; A50-I54 WeakPolarHBondContact O-CB 3.41Å; A50-I54 WeakPolarHBondContact O-CD1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.5Å; A50-I54 PolarHBondContact O-N 2.94Å; Q51-I54 PolarHBondContact O-N 3.24Å; I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 PolarHBondContact O-N 3.45Å; I54-L57 PolarHBondContact O-N 3.01Å; I54-H58 HydrophobicContact CG2-CB 4.3Å; I54-H58 WeakPolarHBondContact O-CB 3.37Å; I54-H58 PolarHBondContact O-N 3Å; I54-V69 HydrophobicContact CG1-CG1 3.95Å; I54-L71 HydrophobicContact CD1-CD2 3.8Å; I54-L71 HydrophobicContact CD1-CG 3.75Å
55R86Confident81.6Confident185 Ų18569.2 Ų69.270%0.69836%0.361SS*.Hα-helixtrans-57.3-35.2-178-163.3-172.2-57.1119.46.6113.1Q51 D52Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.47Å; Q51-R55 PolarHBondContact O-N 3.02Å; D52-R55 PolarHBondContact O-N 3.36Å; D52-R55 IonicContact OD1-CZ 3.51Å; D52-R55 IonicContact OD1-NH1 2.65Å; D52-R55 PolarHBondContact OD1-NH1 2.83Å; D52-R55 IonicContact OD1-NH2 3.68Å
56S84.8Confident81.7Confident84 Ų8469.9 Ų69.959%0.58737%0.365SS*.Hα-helixtrans-89.9-24.5-178.2-173.90000114.9D52 I54D52-S56 WeakPolarHBondContact O-CB 3.33Å; D52-S56 PolarHBondContact O-N 3.35Å; I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 PolarHBondContact O-N 3.45Å
57L83.7Confident81.8Confident20 Ų2066.7 Ų66.711%0.10535%0.348CS..Hα-helixtrans-120-17-170.9-59172.2000114.1F20 A53 I54 H59 S60 I67 V69F20-L57 HydrophobicContact CD1-CD1 4.04Å; F20-L57 HydrophobicContact CE1-CD1 3.37Å; F20-L57 HydrophobicContact CZ-CD1 3.68Å; A53-L57 WeakPolarHBondContact O-CB 3.26Å; A53-L57 PolarHBondContact O-N 2.97Å; I54-L57 PolarHBondContact O-N 3.01Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-S60 WeakPolarHBondContact CA-OG 3.46Å; L57-S60 VanDerWaalsContact O-CB 3.28Å; L57-S60 WeakPolarHBondContact O-CB 3.4Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 2.91Å; L57-I67 HydrophobicContact CB-CD1 4.18Å; L57-I67 WeakPolarHBondContact O-CG1 3.4Å; L57-V69 HydrophobicContact CB-CG2 3.83Å
58H85.1Confident82Confident71 Ų7168.7 Ų68.733%0.32935%0.352SS..THydrogen-bonded Turntrans-60.6125.9171.6-175.295.4000110I54 S60 N68 V69I54-H58 HydrophobicContact CG2-CB 4.3Å; I54-H58 WeakPolarHBondContact O-CB 3.37Å; I54-H58 PolarHBondContact O-N 3Å; H58-S60 PolarHBondContact O-N 2.97Å; H58-S60 VanDerWaalsContact O-N 3.15Å; H58-N68 PolarHBondContact CE1-OD1 3.44Å; H58-N68 PolarHBondContact ND1-OD1 3.49Å; H58-N68 VanDerWaalsContact ND1-OD1 3.13Å; H58-V69 HydrophobicContact CB-CB 4.35Å; H58-V69 PolarHBondContact ND1-O 3.12Å
59H84.4Confident82Confident111 Ų11163.7 Ų63.751%0.51433%0.325SS..THydrogen-bonded Turntrans59.116.3-172.2-58.2156.6000115.2L57 L66 I67L57-H59 PolarHBondContact O-N 3.42Å; H59-L66 HydrophobicContact CB-CD1 4.15Å; H59-L66 WeakPolarHBondContact O-CD1 3.5Å; H59-I67 WeakPolarHBondContact CA-O 3.28Å; H59-I67 PolarHBondContact N-O 2.93Å
60S82.9Confident82Confident29 Ų2964.2 Ų64.220%0.20333%0.332CS..  trans-71.9157.4166.472.50000111.3L57 H58 L66 I67L57-S60 WeakPolarHBondContact CA-OG 3.46Å; L57-S60 VanDerWaalsContact O-CB 3.28Å; L57-S60 WeakPolarHBondContact O-CB 3.4Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-S60 PolarHBondContact O-OG 2.91Å; H58-S60 PolarHBondContact O-N 2.97Å; H58-S60 VanDerWaalsContact O-N 3.15Å; S60-L66 WeakPolarHBondContact O-CA 3.5Å; S60-I67 PolarHBondContact O-N 2.89Å; S60-I67 WeakPolarHBondContact OG-CD1 3.41Å; S60-I67 VanDerWaalsContact OG-CG1 3.3Å; S60-I67 WeakPolarHBondContact OG-CG1 3.38Å
61T82.5Confident81.9Confident97 Ų9765.7 Ų65.760%0.59534%0.339SS*.EExtended strand (participates in β ladder)trans-107.4106.7-179.2-66.60000111.3R65T61-R65 CarbonylContact C-O 3.52Å; T61-R65 WeakPolarHBondContact CA-O 3.5Å
62V76.8Confident81.5Confident13 Ų1364 Ų648%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-100.4121.1177.7174.80000109.6L15 L19 G64 R65 I67L15-V62 HydrophobicContact CD2-CG1 4.44Å; L19-V62 HydrophobicContact CD1-CG1 3.82Å; L19-V62 HydrophobicContact CD1-CG2 4.19Å; L19-V62 HydrophobicContact CD2-CB 4.49Å; L19-V62 HydrophobicContact CD2-CG1 4.04Å; L19-V62 HydrophobicContact CD2-CG2 3.6Å; V62-G64 PolarHBondContact O-N 3.44Å; V62-R65 PolarHBondContact N-O 3.2Å; V62-R65 PolarHBondContact O-N 3.48Å; V62-I67 HydrophobicContact CB-CG2 4.04Å; V62-I67 HydrophobicContact CG2-CD1 3.72Å; V62-I67 HydrophobicContact CG2-CG1 4.06Å; V62-I67 HydrophobicContact CG2-CG2 4.07Å
63R76.5Confident80.8Confident165 Ų16564.6 Ų64.662%0.62334%0.339SS*.THydrogen-bonded Turntrans49.843.1-179.3-67.6-177.2160.1-169.8-7.8113.1H10 L15 R65H10-R63 PolarHBondContact O-NH1 3.36Å; L15-R63 HydrophobicContact CD2-CG 4.16Å; L15-R63 VanDerWaalsContact CD2-NE 3.33Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R63-R65 PolarHBondContact O-N 3.26Å
64G75.8Confident80.5Confident71 Ų7165.7 Ų65.773%0.73235%0.346SS*.THydrogen-bonded Turntrans73.417.4179.600000115V62V62-G64 PolarHBondContact O-N 3.44Å
65R74.6Confident80.4Confident100 Ų10068.7 Ų68.738%0.37736%0.362SS..EExtended strand (participates in β ladder)trans-131.7137.3175.8-62.3177.7172.4175.1-10111.2P8 T9 T61 V62 R63P8-R65 HydrophobicContact CG-CB 3.59Å; P8-R65 HydrophobicContact CG-CG 4.22Å; P8-R65 PolarHBondContact O-NH1 3.29Å; T9-R65 PolarHBondContact OG1-NH1 3.37Å; T9-R65 PolarHBondContact OG1-NH2 3.47Å; T61-R65 CarbonylContact C-O 3.52Å; T61-R65 WeakPolarHBondContact CA-O 3.5Å; V62-R65 PolarHBondContact N-O 3.2Å; V62-R65 PolarHBondContact O-N 3.48Å; R63-R65 VanDerWaalsContact C-N 3.32Å; R63-R65 PolarHBondContact O-N 3.26Å
66L79.8Confident80.7Confident101 Ų10160.1 Ų60.153%0.52933%0.33SS..EExtended strand (participates in β ladder)trans-62136.7173.2-157.578.4000110.2H59 S60H59-L66 HydrophobicContact CB-CD1 4.15Å; H59-L66 WeakPolarHBondContact O-CD1 3.5Å; S60-L66 WeakPolarHBondContact O-CA 3.5Å
67I82.3Confident81Confident2 Ų256.2 Ų56.21%0.0130%0.303CS..  trans-110.1142.1165.761.9164.8000110.2V5 F6 L57 H59 S60 V62 V69V5-I67 HydrophobicContact CG1-CD1 4.47Å; F6-I67 WeakPolarHBondContact O-CB 3.1Å; F6-I67 WeakPolarHBondContact O-CG2 3.34Å; L57-I67 HydrophobicContact CB-CD1 4.18Å; L57-I67 WeakPolarHBondContact O-CG1 3.4Å; H59-I67 WeakPolarHBondContact CA-O 3.28Å; H59-I67 PolarHBondContact N-O 2.93Å; S60-I67 PolarHBondContact O-N 2.89Å; S60-I67 WeakPolarHBondContact OG-CD1 3.41Å; S60-I67 VanDerWaalsContact OG-CG1 3.3Å; S60-I67 WeakPolarHBondContact OG-CG1 3.38Å; V62-I67 HydrophobicContact CB-CG2 4.04Å; V62-I67 HydrophobicContact CG2-CD1 3.72Å; V62-I67 HydrophobicContact CG2-CG1 4.06Å; V62-I67 HydrophobicContact CG2-CG2 4.07Å; I67-V69 HydrophobicContact CD1-CG2 3.84Å; I67-V69 HydrophobicContact CG1-CG2 4.21Å
68N81.6Confident81.5Confident67 Ų6755.2 Ų55.236%0.35830%0.298SS..EExtended strand (participates in β ladder)trans-104.4127.8170.3-173-8.4000107.8F6 H58 T70F6-N68 HydrophobicContact CB-CB 4.23Å; F6-N68 WeakPolarHBondContact CB-O 3.29Å; F6-N68 PolarHBondContact N-O 3.19Å; H58-N68 PolarHBondContact CE1-OD1 3.44Å; H58-N68 PolarHBondContact ND1-OD1 3.49Å; H58-N68 VanDerWaalsContact ND1-OD1 3.13Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.34Å
69V82.4Confident81.9Confident0 Ų051.9 Ų51.90%028%0.282CS..EExtended strand (participates in β ladder)trans-124.6123.1-177.9-172.30000108V3 F4 V5 I54 L57 H58 I67V3-V69 HydrophobicContact CG1-CG1 3.67Å; F4-V69 WeakPolarHBondContact O-CA 3.48Å; V5-V69 HydrophobicContact CG1-CG2 4.03Å; V5-V69 HydrophobicContact CG2-CG1 4.31Å; I54-V69 HydrophobicContact CG1-CG1 3.95Å; L57-V69 HydrophobicContact CB-CG2 3.83Å; H58-V69 HydrophobicContact CB-CB 4.35Å; H58-V69 PolarHBondContact ND1-O 3.12Å; I67-V69 HydrophobicContact CD1-CG2 3.84Å; I67-V69 HydrophobicContact CG1-CG2 4.21Å
70T81.9Confident82.4Confident50 Ų5046.6 Ų46.631%0.30726%0.258SS..EExtended strand (participates in β ladder)trans-137.2170.6-179.766.20000109.4V3 F4 N68V3-T70 WeakPolarHBondContact CG1-O 3.47Å; F4-T70 PolarHBondContact N-O 3.35Å; F4-T70 PolarHBondContact O-N 3.42Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.34Å
71L80.1Confident82.9Confident32 Ų3245.5 Ų45.517%0.16825%0.25CC..EExtended strand (participates in β ladder)trans-62.3150.4157.8-66.2176.4000108.8M1 A50 I54 P73M1-L71 HydrophobicContact CE-CD1 4.19Å; M1-L71 HydrophobicContact CE-CD2 4.5Å; M1-L71 HydrophobicContact SD-CD2 4.44Å; A50-L71 HydrophobicContact CB-CD2 4Å; I54-L71 HydrophobicContact CD1-CD2 3.8Å; I54-L71 HydrophobicContact CD1-CG 3.75Å; L71-P73 WeakPolarHBondContact O-CD 3.16Å
72Q75.1Confident83.3Confident49 Ų4941.7 Ų41.723%0.22923%0.226CC..  trans-71.5123.5169.2-178.9-176.9-31.900108.8L2 F4 F41 T74L2-Q72 HydrophobicContact CB-CB 4.15Å; L2-Q72 WeakPolarHBondContact O-CB 3.44Å; L2-Q72 PolarHBondContact O-N 3.43Å; F4-Q72 HydrophobicContact CB-CB 4.3Å; F41-Q72 HydrophobicContact CD1-CG 4.43Å; F41-Q72 VanDerWaalsContact CD1-OE1 3.31Å; F41-Q72 HydrophobicContact CE1-CG 4.3Å; Q72-T74 HydrophobicContact CG-CG2 4.38Å; Q72-T74 PolarHBondContact O-N 2.89Å; Q72-T74 VanDerWaalsContact O-N 3.16Å
73P70.4Confident84.1Confident81 Ų8141.1 Ų41.153%0.52622%0.222SC..  trans-66.6115.5168.327.7-32.6000108.7L71L71-P73 WeakPolarHBondContact O-CD 3.16Å
74T78.5Confident84.7Confident24 Ų2434.2 Ų34.215%0.14720%0.199CC..  trans-103.1130.4176.950.80000109.8Q72 S76 E123 V154Q72-T74 HydrophobicContact CG-CG2 4.38Å; Q72-T74 PolarHBondContact O-N 2.89Å; Q72-T74 VanDerWaalsContact O-N 3.16Å; T74-S76 VanDerWaalsContact C-N 3.25Å; T74-S76 PolarHBondContact O-N 3.26Å; T74-E123 PolarHBondContact OG1-OE1 3.26Å; T74-V154 WeakPolarHBondContact O-CG2 3.24Å; T74-V154 WeakPolarHBondContact OG1-CG2 3.48Å
75D84.3Confident85.2Confident90 Ų9034 Ų3448%0.48118%0.179SC..SBendtrans-9734.1179.860.7-2000111.8K127 W151D75-K127 HydrophobicContact CB-CD 4.5Å; D75-K127 VanDerWaalsContact OD2-CD 3.3Å; D75-K127 WeakPolarHBondContact OD2-CD 3.42Å; D75-K127 VanDerWaalsContact OD2-CE 3.23Å; D75-K127 WeakPolarHBondContact OD2-CE 3.48Å; D75-K127 IonicContact OD2-NZ 2.63Å; D75-K127 PolarHBondContact OD2-NZ 3.04Å; D75-W151 WeakPolarHBondContact O-CZ3 3.49Å
76S90.9Very high85.8Confident5 Ų535.3 Ų35.34%0.03520%0.198CC..  trans-125.312.6-173.757.50000113.7T74 Y124 A130T74-S76 VanDerWaalsContact C-N 3.25Å; T74-S76 PolarHBondContact O-N 3.26Å; S76-Y124 WeakPolarHBondContact CB-O 3.37Å; S76-Y124 PolarHBondContact O-N 3.1Å; S76-Y124 PolarHBondContact OG-O 2.94Å; S76-A130 WeakPolarHBondContact O-CB 3.44Å
77L91.8Very high86.3Confident2 Ų231.9 Ų31.91%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-91133176.1179.572.8000111.5F121 V122 E123 M152 V154 L157L77-F121 HydrophobicContact CD1-CB 4.35Å; L77-V122 WeakPolarHBondContact CA-O 3.45Å; L77-E123 HydrophobicContact CB-CG 4.48Å; L77-E123 HydrophobicContact CD1-CB 3.92Å; L77-M152 HydrophobicContact CD2-CB 3.55Å; L77-M152 HydrophobicContact CG-CB 3.9Å; L77-M152 PolarHBondContact O-N 2.95Å; L77-V154 HydrophobicContact CB-CG2 3.82Å; L77-V154 HydrophobicContact CD2-CB 4.3Å; L77-V154 HydrophobicContact CD2-CG2 3.66Å; L77-V154 HydrophobicContact CG-CG2 4.3Å; L77-L157 HydrophobicContact CD1-CD1 3.98Å; L77-L157 HydrophobicContact CD2-CD1 3.48Å; L77-L157 VanDerWaalsContact CD2-CD1 3.48Å; L77-L157 HydrophobicContact CD2-CG 3.97Å; L77-L157 HydrophobicContact CG-CD1 4.31Å
78L93.8Very high86.8Confident0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-124.7146173.5-59.1175.3000110.8L80 F121 V122 Y124 A130 A133 R134 V149 Q150 W151L78-L80 HydrophobicContact CB-CD1 3.97Å; L78-F121 WeakPolarHBondContact O-CA 3.02Å; L78-V122 HydrophobicContact CB-CG1 4.06Å; L78-V122 HydrophobicContact CD1-CG1 4.42Å; L78-V122 PolarHBondContact N-O 2.85Å; L78-V122 PolarHBondContact O-N 2.93Å; L78-Y124 HydrophobicContact CD1-CE2 4.13Å; L78-A130 HydrophobicContact CD1-CB 4.45Å; L78-A130 WeakPolarHBondContact CD1-O 3.22Å; L78-A130 HydrophobicContact CG-CB 4.39Å; L78-A133 HydrophobicContact CD1-CB 4Å; L78-R134 HydrophobicContact CD1-CB 4.13Å; L78-R134 HydrophobicContact CD2-CB 4.08Å; L78-R134 HydrophobicContact CD2-CG 4.46Å; L78-V149 HydrophobicContact CB-CG1 4.23Å; L78-V149 HydrophobicContact CD1-CG1 3.93Å; L78-V149 HydrophobicContact CD2-CG1 4.31Å; L78-V149 HydrophobicContact CG-CG1 4.41Å; L78-Q150 VanDerWaalsContact CA-O 3.31Å; L78-Q150 WeakPolarHBondContact CA-O 3.49Å; L78-W151 HydrophobicContact CD2-CD2 3.77Å; L78-W151 HydrophobicContact CD2-CE3 3.41Å; L78-W151 VanDerWaalsContact CD2-CE3 3.41Å; L78-W151 HydrophobicContact CD2-CG 4.42Å; L78-W151 HydrophobicContact CD2-CH2 4.31Å; L78-W151 HydrophobicContact CD2-CZ3 3.72Å; L78-W151 HydrophobicContact CG-CE3 4.46Å; L78-W151 HydrophobicContact CG-CZ3 4.49Å
79C94.1Very high87.2Confident0 Ų033.5 Ų33.50%020%0.196CC..EExtended strand (participates in β ladder)trans-99.2136156.9-170.10000109.2T81 F121 V149 Q150 M152 T243C79-T81 VanDerWaalsContact SG-CG2 3.57Å; C79-F121 HydrophobicContact CB-CD1 3.8Å; C79-F121 HydrophobicContact CB-CE1 3.68Å; C79-V149 WeakPolarHBondContact O-CA 3.29Å; C79-Q150 PolarHBondContact N-O 2.93Å; C79-Q150 PolarHBondContact O-N 3.43Å; C79-M152 HydrophobicContact CB-CG 3.64Å; C79-M152 HydrophobicContact CB-SD 4.04Å; C79-T243 HydrophobicContact CB-CG2 3.91Å
80L94.7Very high87.7Confident0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-114.4117.8173.3-74.175.1000107.7L78 F92 V96 Y119 G120 V122 L137 M148 V149L78-L80 HydrophobicContact CB-CD1 3.97Å; L80-F92 HydrophobicContact CB-CE2 4.04Å; L80-F92 HydrophobicContact CD1-CZ 4.47Å; L80-F92 HydrophobicContact CD2-CE2 3.96Å; L80-F92 HydrophobicContact CG-CE2 4.43Å; L80-V96 HydrophobicContact CD2-CG1 3.72Å; L80-Y119 CarbonylContact O-C 3.56Å; L80-Y119 WeakPolarHBondContact O-CA 3.22Å; L80-Y119 VanDerWaalsContact O-CB 3.26Å; L80-Y119 WeakPolarHBondContact O-CB 3.25Å; L80-G120 PolarHBondContact N-O 3.43Å; L80-G120 PolarHBondContact O-N 3.35Å; L80-V122 HydrophobicContact CD1-CG1 3.54Å; L80-L137 HydrophobicContact CD2-CD1 3.71Å; L80-M148 CarbonylContact C-O 3.55Å; L80-M148 WeakPolarHBondContact CA-O 3.49Å; L80-V149 HydrophobicContact CD1-CG1 4.27Å; L80-V149 HydrophobicContact CG-CG1 4.21Å; L80-V149 HydrophobicContact CG-CG2 4.19Å
81T93.5Very high88.3Confident6 Ų642.2 Ų42.24%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-120.1170.8-176.663.80000111.1C79 L83 Y119 M148C79-T81 VanDerWaalsContact SG-CG2 3.57Å; T81-L83 VanDerWaalsContact C-N 3.34Å; T81-Y119 HydrophobicContact CG2-CG 4.41Å; T81-M148 PolarHBondContact N-O 2.87Å; T81-M148 PolarHBondContact O-N 3.36Å; T81-M148 VanDerWaalsContact OG1-CB 3.32Å; T81-M148 WeakPolarHBondContact OG1-CB 3.46Å
82N91.5Very high89Confident18 Ų1840.8 Ų40.810%0.09623%0.226CC..SBendtrans62.534.7-171.7-15918.6000114G118 R145 S146 M148N82-G118 PolarHBondContact N-O 3.39Å; N82-R145 WeakPolarHBondContact O-CB 3.41Å; N82-R145 VanDerWaalsContact OD1-CD 3.29Å; N82-R145 WeakPolarHBondContact OD1-CD 3.33Å; N82-R145 WeakPolarHBondContact OD1-CG 3.32Å; N82-S146 PolarHBondContact ND2-N 3.26Å; N82-S146 PolarHBondContact ND2-O 3.15Å; N82-M148 HydrophobicContact CB-CG 4.4Å
83L92.4Very high89.9Confident0 Ų041.8 Ų41.80%023%0.23CC..  trans-74.6152.5167.8-63.9163.8000110.2T81 F87 F92 L107 G118 L142 R145 L147T81-L83 VanDerWaalsContact C-N 3.34Å; L83-F87 HydrophobicContact CD1-CD1 4.49Å; L83-F87 HydrophobicContact CD2-CD1 3.85Å; L83-F87 HydrophobicContact CD2-CE1 3.94Å; L83-F92 HydrophobicContact CD1-CD2 3.84Å; L83-F92 HydrophobicContact CD1-CE2 3.92Å; L83-L107 HydrophobicContact CD1-CD2 3.62Å; L83-G118 WeakPolarHBondContact CB-O 3.39Å; L83-G118 PolarHBondContact N-O 3.38Å; L83-L142 HydrophobicContact CD2-CD2 4.01Å; L83-R145 PolarHBondContact O-NH1 2.92Å; L83-L147 HydrophobicContact CD2-CD2 3.57Å; L83-L147 HydrophobicContact CG-CD2 4.27Å
84P89.8Confident91Very high21 Ų2144.4 Ų44.414%0.13624%0.236CC..  trans-64.7141.7165.2-20.633.2000111.6T86 F87 L142P84-T86 PolarHBondContact O-N 3.21Å; P84-F87 WeakPolarHBondContact O-CB 3.29Å; P84-F87 PolarHBondContact O-N 3.45Å; P84-L142 HydrophobicContact CG-CD2 4.33Å; P84-L142 HydrophobicContact CG-CG 4.4Å
85H85.8Confident91.7Very high67 Ų6743.9 Ų43.931%0.3123%0.232SC..THydrogen-bonded Turntrans-66.8-17.1178.5-57.8-83.6000113.4F87 S116 R145H85-F87 VanDerWaalsContact C-N 3.31Å; H85-S116 PolarHBondContact ND1-O 3.07Å; H85-R145 PolarHBondContact CD2-NH1 2.82Å; H85-R145 PolarHBondContact NE2-NH1 3.04Å; H85-R145 PolarHBondContact NE2-NH2 3.45Å
86T87.8Confident92.2Very high126 Ų12639.6 Ų39.677%0.77321%0.209SC*.THydrogen-bonded Turntrans-81.2-4.5173.649.90000114.1P84P84-T86 PolarHBondContact O-N 3.21Å
87F89.3Confident92.4Very high29 Ų2946.7 Ų46.713%0.12724%0.235CC..  trans-80.8126-174.6-159.7-118.8000111.1L83 P84 H85 Q91 F92 L95 L107 L142L83-F87 HydrophobicContact CD1-CD1 4.49Å; L83-F87 HydrophobicContact CD2-CD1 3.85Å; L83-F87 HydrophobicContact CD2-CE1 3.94Å; P84-F87 WeakPolarHBondContact O-CB 3.29Å; P84-F87 PolarHBondContact O-N 3.45Å; H85-F87 VanDerWaalsContact C-N 3.31Å; F87-Q91 HydrophobicContact CD2-CB 4Å; F87-Q91 HydrophobicContact CE1-CB 4.31Å; F87-Q91 HydrophobicContact CE2-CB 3.61Å; F87-Q91 HydrophobicContact CG-CB 4.48Å; F87-Q91 HydrophobicContact CZ-CB 3.78Å; F87-Q91 WeakPolarHBondContact CZ-O 3.47Å; F87-F92 HydrophobicContact CD1-CB 4.16Å; F87-F92 HydrophobicContact CE1-CB 3.86Å; F87-F92 HydrophobicContact CE1-CD2 4.24Å; F87-L95 HydrophobicContact CE1-CD2 4.08Å; F87-L95 HydrophobicContact CZ-CB 4.28Å; F87-L95 HydrophobicContact CZ-CD2 3.95Å; F87-L107 VanDerWaalsContact O-CD1 3.29Å; F87-L107 WeakPolarHBondContact O-CD1 3.38Å; F87-L142 HydrophobicContact CD2-CD2 4.26Å; F87-L142 HydrophobicContact CE1-CD2 4.43Å; F87-L142 HydrophobicContact CE2-CD2 4.01Å; F87-L142 HydrophobicContact CZ-CD2 4.11Å
88T92.6Very high92.4Very high59 Ų5952.8 Ų52.836%0.36227%0.267SS..  trans-88.6158.8-172.974.90000112.8Q90 Q91 F92T88-Q90 PolarHBondContact O-N 3.3Å; T88-Q91 PolarHBondContact O-N 3.12Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.49Å; T88-Q91 PolarHBondContact OG1-N 3.02Å; T88-F92 WeakPolarHBondContact O-CB 3.49Å; T88-F92 PolarHBondContact O-N 2.69Å
89A91.2Very high92.4Very high45 Ų4553.2 Ų53.237%0.37227%0.268SS..Hα-helixtrans-58.5-33.8175.800000113.3F92 E93 L107A89-F92 PolarHBondContact O-N 2.98Å; A89-E93 PolarHBondContact O-N 3.18Å; A89-L107 HydrophobicContact CB-CD1 4.47Å
90Q93Very high92.3Very high149 Ų14954.2 Ų54.270%0.69628%0.279SS*.Hα-helixtrans-66.9-47.9175.4-70.6176.9-18.500111.3T88 F92 E93 E94T88-Q90 PolarHBondContact O-N 3.3Å; Q90-F92 PolarHBondContact O-N 3.35Å; Q90-E93 PolarHBondContact O-N 3.24Å; Q90-E94 WeakPolarHBondContact O-CB 3.4Å; Q90-E94 WeakPolarHBondContact O-CG 3.32Å; Q90-E94 PolarHBondContact O-N 3.46Å
91Q93.7Very high92.2Very high84 Ų8459.8 Ų59.839%0.39331%0.308SS..Hα-helixtrans-62.3-34.1175.9-68.3166.6-16.500112F87 T88 L95F87-Q91 HydrophobicContact CD2-CB 4Å; F87-Q91 HydrophobicContact CE1-CB 4.31Å; F87-Q91 HydrophobicContact CE2-CB 3.61Å; F87-Q91 HydrophobicContact CG-CB 4.48Å; F87-Q91 HydrophobicContact CZ-CB 3.78Å; F87-Q91 WeakPolarHBondContact CZ-O 3.47Å; T88-Q91 PolarHBondContact O-N 3.12Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.49Å; T88-Q91 PolarHBondContact OG1-N 3.02Å; Q91-L95 VanDerWaalsContact O-CB 3.25Å; Q91-L95 WeakPolarHBondContact O-CB 3.25Å; Q91-L95 PolarHBondContact O-N 3.12Å
92F94.5Very high92.1Very high1 Ų161 Ų610%0.00432%0.315CS..Hα-helixtrans-67-46.5173.5-179.7-100.4000112.3L80 L83 F87 T88 A89 Q90 L95 V96 L107 F121L80-F92 HydrophobicContact CB-CE2 4.04Å; L80-F92 HydrophobicContact CD1-CZ 4.47Å; L80-F92 HydrophobicContact CD2-CE2 3.96Å; L80-F92 HydrophobicContact CG-CE2 4.43Å; L83-F92 HydrophobicContact CD1-CD2 3.84Å; L83-F92 HydrophobicContact CD1-CE2 3.92Å; F87-F92 HydrophobicContact CD1-CB 4.16Å; F87-F92 HydrophobicContact CE1-CB 3.86Å; F87-F92 HydrophobicContact CE1-CD2 4.24Å; T88-F92 WeakPolarHBondContact O-CB 3.49Å; T88-F92 PolarHBondContact O-N 2.69Å; A89-F92 PolarHBondContact O-N 2.98Å; Q90-F92 PolarHBondContact O-N 3.35Å; F92-L95 PolarHBondContact O-N 2.89Å; F92-V96 HydrophobicContact CE2-CG1 4.3Å; F92-V96 HydrophobicContact CZ-CG1 4.32Å; F92-V96 WeakPolarHBondContact O-CG2 3.45Å; F92-V96 PolarHBondContact O-N 3.42Å; F92-V96 VanDerWaalsContact O-N 3.16Å; F92-L107 HydrophobicContact CB-CD1 4.24Å; F92-L107 HydrophobicContact CB-CD2 3.84Å; F92-L107 HydrophobicContact CB-CG 4Å; F92-L107 HydrophobicContact CD1-CD2 4.01Å; F92-L107 HydrophobicContact CD1-CG 4.29Å; F92-L107 HydrophobicContact CD2-CD2 3.51Å; F92-L107 HydrophobicContact CD2-CG 4.5Å; F92-L107 HydrophobicContact CE1-CD2 4.45Å; F92-L107 HydrophobicContact CE2-CD2 4Å; F92-L107 HydrophobicContact CG-CD2 3.5Å; F92-L107 HydrophobicContact CG-CG 4.02Å; F92-L107 HydrophobicContact CZ-CD2 4.45Å; F92-F121 WeakPolarHBondContact CE1-O 3.29Å
93E93.8Very high91.9Very high71 Ų7162.7 Ų62.733%0.33232%0.322SS..Hα-helixtrans-60.9-49.2174.5-165.4-168.8144.900111A89 Q90 L95 V96 R97 I102A89-E93 PolarHBondContact O-N 3.18Å; Q90-E93 PolarHBondContact O-N 3.24Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.34Å; E93-V96 PolarHBondContact O-N 2.84Å; E93-V96 VanDerWaalsContact O-N 3.16Å; E93-R97 WeakPolarHBondContact O-CB 3.16Å; E93-R97 PolarHBondContact O-N 2.97Å; E93-R97 IonicContact OE1-CZ 3.91Å; E93-R97 IonicContact OE1-NE 2.64Å; E93-R97 IonicContact OE1-NH1 3.23Å; E93-R97 PolarHBondContact OE1-NH1 3.3Å; E93-I102 HydrophobicContact CG-CD1 3.95Å
94E94.1Very high91.7Very high136 Ų13665.8 Ų65.864%0.63633%0.334SS*.Hα-helixtrans-54.8-43.2177-74.5177.9179.300112.3Q90 V96Q90-E94 WeakPolarHBondContact O-CB 3.4Å; Q90-E94 WeakPolarHBondContact O-CG 3.32Å; Q90-E94 PolarHBondContact O-N 3.46Å; E94-V96 PolarHBondContact O-N 3.36Å
95L92.9Very high91.8Very high13 Ų1366.5 Ų66.57%0.06834%0.339CS..Hα-helixtrans-60.9-44.2177.917967.7000112.4F87 Q91 F92 E93 Y99 L137 L147F87-L95 HydrophobicContact CE1-CD2 4.08Å; F87-L95 HydrophobicContact CZ-CB 4.28Å; F87-L95 HydrophobicContact CZ-CD2 3.95Å; Q91-L95 VanDerWaalsContact O-CB 3.25Å; Q91-L95 WeakPolarHBondContact O-CB 3.25Å; Q91-L95 PolarHBondContact O-N 3.12Å; F92-L95 PolarHBondContact O-N 2.89Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.34Å; L95-Y99 WeakPolarHBondContact O-CE2 3.41Å; L95-L137 HydrophobicContact CD1-CD2 4.1Å; L95-L137 HydrophobicContact CG-CD2 4.31Å; L95-L147 HydrophobicContact CD2-CD1 4.02Å
96V94.6Very high92Very high0 Ų066.5 Ų66.50%034%0.338CS..Hα-helixtrans-88.8-28.1-173.5-56.80000113.1L80 F92 E93 E94 L98 Y99 I102 V122 Y124 L137L80-V96 HydrophobicContact CD2-CG1 3.72Å; F92-V96 HydrophobicContact CE2-CG1 4.3Å; F92-V96 HydrophobicContact CZ-CG1 4.32Å; F92-V96 WeakPolarHBondContact O-CG2 3.45Å; F92-V96 PolarHBondContact O-N 3.42Å; F92-V96 VanDerWaalsContact O-N 3.16Å; E93-V96 PolarHBondContact O-N 2.84Å; E93-V96 VanDerWaalsContact O-N 3.16Å; E94-V96 PolarHBondContact O-N 3.36Å; V96-L98 PolarHBondContact O-N 2.67Å; V96-L98 VanDerWaalsContact O-N 3.15Å; V96-Y99 WeakPolarHBondContact O-CD2 3.31Å; V96-Y99 PolarHBondContact O-N 3.13Å; V96-Y99 VanDerWaalsContact O-N 3.11Å; V96-I102 HydrophobicContact CG2-CD1 3.76Å; V96-V122 HydrophobicContact CB-CB 4.39Å; V96-V122 HydrophobicContact CB-CG1 4.36Å; V96-V122 HydrophobicContact CB-CG2 4.09Å; V96-V122 HydrophobicContact CG1-CG1 4.26Å; V96-V122 HydrophobicContact CG2-CB 4.11Å; V96-V122 HydrophobicContact CG2-CG2 3.68Å; V96-Y124 WeakPolarHBondContact CB-OH 3.36Å; V96-Y124 PolarHBondContact O-OH 2.98Å; V96-L137 HydrophobicContact CG1-CD1 4.25Å
97R94.8Very high92.3Very high153 Ų15360.8 Ų60.858%0.57730%0.303SS*.Hα-helixtrans-63.7-20.9-179.3-168.1171-176.61071.7113.7E93 Y99 I102E93-R97 WeakPolarHBondContact O-CB 3.16Å; E93-R97 PolarHBondContact O-N 2.97Å; E93-R97 IonicContact OE1-CZ 3.91Å; E93-R97 IonicContact OE1-NE 2.64Å; E93-R97 IonicContact OE1-NH1 3.23Å; E93-R97 PolarHBondContact OE1-NH1 3.3Å; R97-Y99 PolarHBondContact O-N 3.07Å; R97-I102 HydrophobicContact CB-CD1 3.8Å; R97-I102 HydrophobicContact CG-CD1 4.19Å
98L93.6Very high92.4Very high130 Ų13059.8 Ų59.868%0.68130%0.299SS*.THydrogen-bonded Turntrans-59.4-25.7173.1-64.8172.4000113.5V96V96-L98 PolarHBondContact O-N 2.67Å; V96-L98 VanDerWaalsContact O-N 3.15Å
99Y93.8Very high92.3Very high9 Ų961.6 Ų61.64%0.03530%0.3CS..THydrogen-bonded Turntrans-91.4-19.1-172.6-59.9-67.3000114.5L95 V96 R97 S129 R132 A133 E136 L137 R140L95-Y99 WeakPolarHBondContact O-CE2 3.41Å; V96-Y99 WeakPolarHBondContact O-CD2 3.31Å; V96-Y99 PolarHBondContact O-N 3.13Å; V96-Y99 VanDerWaalsContact O-N 3.11Å; R97-Y99 PolarHBondContact O-N 3.07Å; Y99-S129 WeakPolarHBondContact O-CB 3.43Å; Y99-S129 PolarHBondContact O-OG 3.33Å; Y99-R132 HydrophobicContact CD1-CG 4.17Å; Y99-R132 PolarHBondContact O-NH1 3.04Å; Y99-A133 HydrophobicContact CD1-CB 4.49Å; Y99-A133 HydrophobicContact CD2-CB 3.87Å; Y99-A133 HydrophobicContact CG-CB 3.72Å; Y99-E136 HydrophobicContact CE1-CB 3.95Å; Y99-E136 VanDerWaalsContact CE1-CD 3.43Å; Y99-E136 HydrophobicContact CE1-CG 4.24Å; Y99-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y99-E136 PolarHBondContact OH-OE1 3.34Å; Y99-L137 HydrophobicContact CD2-CD1 4.1Å; Y99-L137 HydrophobicContact CD2-CG 4.43Å; Y99-L137 HydrophobicContact CE2-CD1 3.71Å; Y99-L137 HydrophobicContact CE2-CD2 3.72Å; Y99-L137 HydrophobicContact CE2-CG 3.7Å; Y99-R140 PolarHBondContact OH-NH1 3.06Å; Y99-R140 VanDerWaalsContact OH-NH1 3.1Å
100G91.8Very high92.3Very high21 Ų2159.8 Ų59.822%0.21628%0.284CS..SBendtrans158.9-179.1174.300000113.4I102G100-I102 PolarHBondContact O-N 3.45Å
101N91.6Very high91.9Very high117 Ų11760.4 Ų60.463%0.62629%0.287SS*.  trans-62128.7175.8-67.975.9000111.9Y124 M125N101-Y124 WeakPolarHBondContact O-CA 3.35Å; N101-M125 HydrophobicContact CB-CB 4.25Å; N101-M125 HydrophobicContact CB-CG 3.8Å; N101-M125 HydrophobicContact CB-SD 3.79Å; N101-M125 PolarHBondContact O-N 2.95Å
102I91.8Very high91.4Very high32 Ų3263.7 Ų63.716%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-90142.8176.3-60.8165.3000109.2E93 V96 R97 G100 R104 V122 E123 Y124E93-I102 HydrophobicContact CG-CD1 3.95Å; V96-I102 HydrophobicContact CG2-CD1 3.76Å; R97-I102 HydrophobicContact CB-CD1 3.8Å; R97-I102 HydrophobicContact CG-CD1 4.19Å; G100-I102 PolarHBondContact O-N 3.45Å; I102-R104 VanDerWaalsContact CG2-O 3.27Å; I102-R104 WeakPolarHBondContact CG2-O 3.22Å; I102-V122 HydrophobicContact CD1-CG2 4.49Å; I102-V122 HydrophobicContact CG1-CG2 4.07Å; I102-V122 HydrophobicContact CG2-CG2 4.23Å; I102-E123 CarbonylContact C-O 3.57Å; I102-E123 WeakPolarHBondContact CA-O 3.04Å; I102-Y124 HydrophobicContact CG1-CD1 4.47Å; I102-Y124 HydrophobicContact CG1-CE1 4.37Å
103E87.3Confident91Very high54 Ų5467.1 Ų67.125%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-96.2-38.1160-74.6-140.3-161.900112.2M1 E123 M125M1-E103 VanDerWaalsContact CA-OE2 3.27Å; M1-E103 WeakPolarHBondContact CA-OE2 3.45Å; M1-E103 PolarHBondContact N-OE2 3.25Å; E103-E123 PolarHBondContact N-O 3.06Å; E103-M125 HydrophobicContact CG-CE 4.39Å; E103-M125 HydrophobicContact CG-CG 3.67Å
104R87.1Confident90.7Very high65 Ų6566 Ų6625%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-143138.2175.4-63.3-173-67154.3-0.5110.8I102 V122 E123I102-R104 VanDerWaalsContact CG2-O 3.27Å; I102-R104 WeakPolarHBondContact CG2-O 3.22Å; R104-V122 CarbonylContact O-C 3.43Å; R104-V122 WeakPolarHBondContact O-CA 3.09Å; R104-E123 HydrophobicContact CB-CB 4.25Å; R104-E123 IonicContact CZ-OE2 2.79Å; R104-E123 PolarHBondContact N-O 3.47Å; R104-E123 IonicContact NE-OE2 2.66Å; R104-E123 PolarHBondContact NE-OE2 3.35Å; R104-E123 IonicContact NH2-OE2 2.66Å; R104-E123 PolarHBondContact NH2-OE2 2.61Å; R104-E123 PolarHBondContact O-N 2.75Å
105S92.3Very high90.4Very high36 Ų3665.9 Ų65.925%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-147.2127.6169.549.90000110.6F121S105-F121 VanDerWaalsContact CA-O 3.31Å; S105-F121 WeakPolarHBondContact CA-O 3.29Å
106F91.6Very high90.3Very high66 Ų6665.6 Ų65.629%0.28933%0.334SS..EExtended strand (participates in β ladder)trans-154.7148.9178.859.3-81.5000111.4V108 G120 F121 L163F106-V108 HydrophobicContact CE2-CG2 4.47Å; F106-G120 CarbonylContact O-C 3.6Å; F106-G120 WeakPolarHBondContact O-CA 3.07Å; F106-F121 HydrophobicContact CD1-CB 4.46Å; F106-F121 HydrophobicContact CD2-CD2 4.33Å; F106-F121 HydrophobicContact CE1-CB 3.95Å; F106-F121 HydrophobicContact CE1-CD2 4.42Å; F106-F121 HydrophobicContact CE2-CB 4.47Å; F106-F121 AromaticContact CE2-CD2 3.55Å; F106-F121 HydrophobicContact CE2-CD2 3.55Å; F106-F121 HydrophobicContact CE2-CE2 4.25Å; F106-F121 HydrophobicContact CE2-CG 4.43Å; F106-F121 HydrophobicContact CZ-CB 3.96Å; F106-F121 AromaticContact CZ-CD2 3.59Å; F106-F121 HydrophobicContact CZ-CD2 3.59Å; F106-F121 HydrophobicContact CZ-CE2 4.44Å; F106-F121 HydrophobicContact CZ-CG 4.1Å; F106-F121 PolarHBondContact N-O 2.67Å; F106-F121 VanDerWaalsContact N-O 3.08Å; F106-F121 PolarHBondContact O-N 2.94Å; F106-L163 HydrophobicContact CE2-CD2 4.36Å; F106-L163 HydrophobicContact CZ-CD2 4.39Å
107L93.1Very high90.1Very high7 Ų766.2 Ų66.24%0.03734%0.337CS..EExtended strand (participates in β ladder)trans-86.6151165.7-67.1179.4000109.6L83 F87 A89 F92 Y109L83-L107 HydrophobicContact CD1-CD2 3.62Å; F87-L107 VanDerWaalsContact O-CD1 3.29Å; F87-L107 WeakPolarHBondContact O-CD1 3.38Å; A89-L107 HydrophobicContact CB-CD1 4.47Å; F92-L107 HydrophobicContact CB-CD1 4.24Å; F92-L107 HydrophobicContact CB-CD2 3.84Å; F92-L107 HydrophobicContact CB-CG 4Å; F92-L107 HydrophobicContact CD1-CD2 4.01Å; F92-L107 HydrophobicContact CD1-CG 4.29Å; F92-L107 HydrophobicContact CD2-CD2 3.51Å; F92-L107 HydrophobicContact CD2-CG 4.5Å; F92-L107 HydrophobicContact CE1-CD2 4.45Å; F92-L107 HydrophobicContact CE2-CD2 4Å; F92-L107 HydrophobicContact CG-CD2 3.5Å; F92-L107 HydrophobicContact CG-CG 4.02Å; F92-L107 HydrophobicContact CZ-CD2 4.45Å; L107-Y109 HydrophobicContact CB-CD2 4.49Å; L107-Y109 HydrophobicContact CB-CE2 3.8Å; L107-Y109 WeakPolarHBondContact O-CD2 3.37Å; L107-Y109 WeakPolarHBondContact O-CE2 3.24Å
108V91.9Very high89.9Confident8 Ų859.1 Ų59.15%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-91.4132.6170.9-176.50000109.1F106 K117 Y119 F121F106-V108 HydrophobicContact CE2-CG2 4.47Å; V108-K117 HydrophobicContact CG1-CD 3.97Å; V108-K117 HydrophobicContact CG1-CG 4.26Å; V108-K117 PolarHBondContact O-N 3.36Å; V108-Y119 HydrophobicContact CB-CD2 4.05Å; V108-Y119 HydrophobicContact CB-CE2 3.73Å; V108-Y119 HydrophobicContact CG1-CE2 4Å; V108-Y119 HydrophobicContact CG2-CD2 3.81Å; V108-Y119 HydrophobicContact CG2-CE2 3.6Å; V108-Y119 PolarHBondContact N-O 3.35Å; V108-F121 HydrophobicContact CG2-CD2 3.98Å; V108-F121 HydrophobicContact CG2-CE2 3.64Å
109Y90.9Very high89.9Confident97 Ų9753 Ų5338%0.3828%0.279SS..EExtended strand (participates in β ladder)trans-115.4152.4-179-64.6-89.8000111.1L107 G114 H115 K117L107-Y109 HydrophobicContact CB-CD2 4.49Å; L107-Y109 HydrophobicContact CB-CE2 3.8Å; L107-Y109 WeakPolarHBondContact O-CD2 3.37Å; L107-Y109 WeakPolarHBondContact O-CE2 3.24Å; Y109-G114 WeakPolarHBondContact CD1-O 3.18Å; Y109-H115 CarbonylContact C-O 3.38Å; Y109-H115 WeakPolarHBondContact CA-O 3.26Å; Y109-K117 WeakPolarHBondContact O-CE 3.46Å
110S89.3Confident89.9Confident6 Ų652.5 Ų52.54%0.04228%0.277CS..  trans-64.6127.5166.4175.60000110.3L112 T113 G114 H115 E221S110-L112 VanDerWaalsContact C-N 3.29Å; S110-L112 PolarHBondContact OG-N 2.78Å; S110-T113 WeakPolarHBondContact CB-OG1 3.43Å; S110-T113 PolarHBondContact OG-N 3.07Å; S110-T113 PolarHBondContact OG-OG1 3.27Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 2.76Å; S110-H115 WeakPolarHBondContact CB-O 3.48Å; S110-H115 PolarHBondContact N-O 3.31Å; S110-E221 WeakPolarHBondContact CB-OE1 3.08Å; S110-E221 PolarHBondContact OG-OE1 3.13Å
111E86.1Confident90Very high162 Ų16251.5 Ų51.576%0.75727%0.267SS*.THydrogen-bonded Turntrans-73.9-25.3173.1-67.5174-15300111.6H164E111-H164 IonicContact OE1-CD2 2.73Å; E111-H164 IonicContact OE1-CE1 3.2Å; E111-H164 PolarHBondContact OE1-CE1 3.04Å; E111-H164 IonicContact OE1-NE2 3.86Å; E111-H164 PolarHBondContact OE1-NE2 3Å
112L83.5Confident90.1Very high153 Ų15346 Ų4680%0.80124%0.237SC*.THydrogen-bonded Turntrans-84.6-37.9-179.7-60.4176.6000113S110S110-L112 VanDerWaalsContact C-N 3.29Å; S110-L112 PolarHBondContact OG-N 2.78Å
113T85Confident90.1Very high73 Ų7345 Ų4545%0.44823%0.232SC..THydrogen-bonded Turntrans-114.2-13.7-173.668.90000114.3S110 H115S110-T113 WeakPolarHBondContact CB-OG1 3.43Å; S110-T113 PolarHBondContact OG-N 3.07Å; S110-T113 PolarHBondContact OG-OG1 3.27Å; T113-H115 PolarHBondContact O-N 3.04Å; T113-H115 VanDerWaalsContact O-N 3.17Å; T113-H115 PolarHBondContact OG1-N 3.29Å
114G86.9Confident90.4Very high49 Ų4942.5 Ų42.551%0.50522%0.22SC..  trans690.5-172.900000114.9Y109 S110Y109-G114 WeakPolarHBondContact CD1-O 3.18Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 2.76Å
115H87.9Confident90.4Very high132 Ų13244.6 Ų44.661%0.61123%0.234SC*.  trans-82.7153.5-179.6-63.8-30.3000112.6Y109 S110 T113 K117Y109-H115 CarbonylContact C-O 3.38Å; Y109-H115 WeakPolarHBondContact CA-O 3.26Å; S110-H115 WeakPolarHBondContact CB-O 3.48Å; S110-H115 PolarHBondContact N-O 3.31Å; T113-H115 PolarHBondContact O-N 3.04Å; T113-H115 VanDerWaalsContact O-N 3.17Å; T113-H115 PolarHBondContact OG1-N 3.29Å; H115-K117 PolarHBondContact O-N 3Å
116S91.7Very high90.3Very high7 Ų749.2 Ų49.25%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-65.6130177.2173.80000110.8H85 G118H85-S116 PolarHBondContact ND1-O 3.07Å; S116-G118 PolarHBondContact O-N 3.42Å; S116-G118 VanDerWaalsContact O-N 3.11Å; S116-G118 PolarHBondContact OG-N 3.4Å
117K90.3Very high90.2Very high14 Ų1450.8 Ų50.86%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-71.61.1176.5-59.8-160-173.7-167.70113.3V108 Y109 H115 Y119 H164 E221 L241V108-K117 HydrophobicContact CG1-CD 3.97Å; V108-K117 HydrophobicContact CG1-CG 4.26Å; V108-K117 PolarHBondContact O-N 3.36Å; Y109-K117 WeakPolarHBondContact O-CE 3.46Å; H115-K117 PolarHBondContact O-N 3Å; K117-Y119 HydrophobicContact CB-CD1 3.9Å; K117-Y119 HydrophobicContact CB-CE1 3.4Å; K117-Y119 VanDerWaalsContact CB-CE1 3.4Å; K117-Y119 HydrophobicContact CD-CE1 4.31Å; K117-Y119 HydrophobicContact CG-CE1 4.45Å; K117-Y119 WeakPolarHBondContact O-CD1 3.48Å; K117-H164 PolarHBondContact NZ-CE1 2.93Å; K117-H164 VanDerWaalsContact NZ-CE1 3.35Å; K117-H164 PolarHBondContact NZ-ND1 3.04Å; K117-E221 WeakPolarHBondContact CE-OE2 3.44Å; K117-E221 IonicContact NZ-OE2 3.04Å; K117-E221 PolarHBondContact NZ-OE2 3.23Å; K117-L241 HydrophobicContact CB-CD1 3.87Å; K117-L241 HydrophobicContact CD-CD1 4.17Å; K117-L241 HydrophobicContact CG-CD1 4.37Å
118G90.6Very high90.3Very high3 Ų355.9 Ų55.93%0.03128%0.283CS..EExtended strand (participates in β ladder)trans82.515.917900000114.3N82 L83 S116N82-G118 PolarHBondContact N-O 3.39Å; L83-G118 WeakPolarHBondContact CB-O 3.39Å; L83-G118 PolarHBondContact N-O 3.38Å; S116-G118 PolarHBondContact O-N 3.42Å; S116-G118 VanDerWaalsContact O-N 3.11Å; S116-G118 PolarHBondContact OG-N 3.4Å
119Y93.5Very high90.4Very high1 Ų156 Ų560%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-145.8163172.858.9-83.3000112.8L80 T81 V108 K117 L163 S165 L241 P244L80-Y119 CarbonylContact O-C 3.56Å; L80-Y119 WeakPolarHBondContact O-CA 3.22Å; L80-Y119 VanDerWaalsContact O-CB 3.26Å; L80-Y119 WeakPolarHBondContact O-CB 3.25Å; T81-Y119 HydrophobicContact CG2-CG 4.41Å; V108-Y119 HydrophobicContact CB-CD2 4.05Å; V108-Y119 HydrophobicContact CB-CE2 3.73Å; V108-Y119 HydrophobicContact CG1-CE2 4Å; V108-Y119 HydrophobicContact CG2-CD2 3.81Å; V108-Y119 HydrophobicContact CG2-CE2 3.6Å; V108-Y119 PolarHBondContact N-O 3.35Å; K117-Y119 HydrophobicContact CB-CD1 3.9Å; K117-Y119 HydrophobicContact CB-CE1 3.4Å; K117-Y119 VanDerWaalsContact CB-CE1 3.4Å; K117-Y119 HydrophobicContact CD-CE1 4.31Å; K117-Y119 HydrophobicContact CG-CE1 4.45Å; K117-Y119 WeakPolarHBondContact O-CD1 3.48Å; Y119-L163 WeakPolarHBondContact CE2-O 3.36Å; Y119-L163 PolarHBondContact OH-O 2.97Å; Y119-S165 PolarHBondContact OH-N 2.81Å; Y119-L241 HydrophobicContact CD1-CB 3.79Å; Y119-L241 HydrophobicContact CE1-CB 3.44Å; Y119-L241 VanDerWaalsContact CE1-CB 3.44Å; Y119-L241 HydrophobicContact CE1-CD1 3.95Å; Y119-L241 HydrophobicContact CE1-CG 4.21Å; Y119-P244 HydrophobicContact CE2-CG 4.18Å
120G93.7Very high90.6Very high0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-160.2163.8177.500000112.6L80 F106L80-G120 PolarHBondContact N-O 3.43Å; L80-G120 PolarHBondContact O-N 3.35Å; F106-G120 CarbonylContact O-C 3.6Å; F106-G120 WeakPolarHBondContact O-CA 3.07Å
121F93.8Very high90.8Very high0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-109.4145.7-177.9-61.5-82.1000111.3L77 L78 C79 F92 S105 F106 V108 M152 L157 L163 P244L77-F121 HydrophobicContact CD1-CB 4.35Å; L78-F121 WeakPolarHBondContact O-CA 3.02Å; C79-F121 HydrophobicContact CB-CD1 3.8Å; C79-F121 HydrophobicContact CB-CE1 3.68Å; F92-F121 WeakPolarHBondContact CE1-O 3.29Å; S105-F121 VanDerWaalsContact CA-O 3.31Å; S105-F121 WeakPolarHBondContact CA-O 3.29Å; F106-F121 HydrophobicContact CD1-CB 4.46Å; F106-F121 HydrophobicContact CD2-CD2 4.33Å; F106-F121 HydrophobicContact CE1-CB 3.95Å; F106-F121 HydrophobicContact CE1-CD2 4.42Å; F106-F121 HydrophobicContact CE2-CB 4.47Å; F106-F121 AromaticContact CE2-CD2 3.55Å; F106-F121 HydrophobicContact CE2-CD2 3.55Å; F106-F121 HydrophobicContact CE2-CE2 4.25Å; F106-F121 HydrophobicContact CE2-CG 4.43Å; F106-F121 HydrophobicContact CZ-CB 3.96Å; F106-F121 AromaticContact CZ-CD2 3.59Å; F106-F121 HydrophobicContact CZ-CD2 3.59Å; F106-F121 HydrophobicContact CZ-CE2 4.44Å; F106-F121 HydrophobicContact CZ-CG 4.1Å; F106-F121 PolarHBondContact N-O 2.67Å; F106-F121 VanDerWaalsContact N-O 3.08Å; F106-F121 PolarHBondContact O-N 2.94Å; V108-F121 HydrophobicContact CG2-CD2 3.98Å; V108-F121 HydrophobicContact CG2-CE2 3.64Å; F121-M152 HydrophobicContact CD1-CG 4.38Å; F121-M152 HydrophobicContact CE1-CG 4.12Å; F121-L157 HydrophobicContact CB-CD1 4.47Å; F121-L157 HydrophobicContact CD1-CD1 3.84Å; F121-L157 HydrophobicContact CD1-CD2 4.15Å; F121-L157 HydrophobicContact CD2-CD1 4.44Å; F121-L157 HydrophobicContact CE1-CD1 4.11Å; F121-L157 HydrophobicContact CE1-CD2 3.53Å; F121-L157 HydrophobicContact CE1-CG 4.45Å; F121-L157 HydrophobicContact CE2-CD2 4.14Å; F121-L157 HydrophobicContact CG-CD1 4.01Å; F121-L157 HydrophobicContact CZ-CD1 4.49Å; F121-L157 HydrophobicContact CZ-CD2 3.51Å; F121-L163 HydrophobicContact CE2-CD2 4.09Å; F121-P244 HydrophobicContact CE1-CG 4.4Å; F121-P244 HydrophobicContact CZ-CG 3.68Å
122V94.4Very high91.2Very high0 Ų051.7 Ų51.70%027%0.266CS..EExtended strand (participates in β ladder)trans-136.8128.2168.761.30000110.6L77 L78 L80 V96 I102 R104 Y124L77-V122 WeakPolarHBondContact CA-O 3.45Å; L78-V122 HydrophobicContact CB-CG1 4.06Å; L78-V122 HydrophobicContact CD1-CG1 4.42Å; L78-V122 PolarHBondContact N-O 2.85Å; L78-V122 PolarHBondContact O-N 2.93Å; L80-V122 HydrophobicContact CD1-CG1 3.54Å; V96-V122 HydrophobicContact CB-CB 4.39Å; V96-V122 HydrophobicContact CB-CG1 4.36Å; V96-V122 HydrophobicContact CB-CG2 4.09Å; V96-V122 HydrophobicContact CG1-CG1 4.26Å; V96-V122 HydrophobicContact CG2-CB 4.11Å; V96-V122 HydrophobicContact CG2-CG2 3.68Å; I102-V122 HydrophobicContact CD1-CG2 4.49Å; I102-V122 HydrophobicContact CG1-CG2 4.07Å; I102-V122 HydrophobicContact CG2-CG2 4.23Å; R104-V122 CarbonylContact O-C 3.43Å; R104-V122 WeakPolarHBondContact O-CA 3.09Å; V122-Y124 HydrophobicContact CB-CE2 4.34Å; V122-Y124 HydrophobicContact CG1-CD2 4.47Å; V122-Y124 HydrophobicContact CG1-CE2 3.66Å; V122-Y124 HydrophobicContact CG2-CD2 4.15Å; V122-Y124 HydrophobicContact CG2-CE1 4.31Å; V122-Y124 HydrophobicContact CG2-CE2 3.72Å
123E92.2Very high91.8Very high11 Ų1144.4 Ų44.45%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-110.8123.5172.4-170.8-178.4167.200109T74 L77 I102 E103 R104T74-E123 PolarHBondContact OG1-OE1 3.26Å; L77-E123 HydrophobicContact CB-CG 4.48Å; L77-E123 HydrophobicContact CD1-CB 3.92Å; I102-E123 CarbonylContact C-O 3.57Å; I102-E123 WeakPolarHBondContact CA-O 3.04Å; E103-E123 PolarHBondContact N-O 3.06Å; R104-E123 HydrophobicContact CB-CB 4.25Å; R104-E123 IonicContact CZ-OE2 2.79Å; R104-E123 PolarHBondContact N-O 3.47Å; R104-E123 IonicContact NE-OE2 2.66Å; R104-E123 PolarHBondContact NE-OE2 3.35Å; R104-E123 IonicContact NH2-OE2 2.66Å; R104-E123 PolarHBondContact NH2-OE2 2.61Å; R104-E123 PolarHBondContact O-N 2.75Å
124Y93Very high92.2Very high2 Ų244.1 Ų44.11%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-97.1150.8177.5-64.9-91.9000111.9S76 L78 V96 N101 I102 V122 K126 A130 A133S76-Y124 WeakPolarHBondContact CB-O 3.37Å; S76-Y124 PolarHBondContact O-N 3.1Å; S76-Y124 PolarHBondContact OG-O 2.94Å; L78-Y124 HydrophobicContact CD1-CE2 4.13Å; V96-Y124 WeakPolarHBondContact CB-OH 3.36Å; V96-Y124 PolarHBondContact O-OH 2.98Å; N101-Y124 WeakPolarHBondContact O-CA 3.35Å; I102-Y124 HydrophobicContact CG1-CD1 4.47Å; I102-Y124 HydrophobicContact CG1-CE1 4.37Å; V122-Y124 HydrophobicContact CB-CE2 4.34Å; V122-Y124 HydrophobicContact CG1-CD2 4.47Å; V122-Y124 HydrophobicContact CG1-CE2 3.66Å; V122-Y124 HydrophobicContact CG2-CD2 4.15Å; V122-Y124 HydrophobicContact CG2-CE1 4.31Å; V122-Y124 HydrophobicContact CG2-CE2 3.72Å; Y124-K126 PolarHBondContact O-N 2.87Å; Y124-A130 VanDerWaalsContact CD2-CA 3.47Å; Y124-A130 HydrophobicContact CD2-CB 3.61Å; Y124-A130 HydrophobicContact CE2-CB 4.3Å; Y124-A130 HydrophobicContact CG-CB 4.31Å; Y124-A133 HydrophobicContact CE2-CB 3.76Å; Y124-A133 WeakPolarHBondContact OH-CB 3.38Å
125M87.4Confident92.5Very high109 Ų10946.3 Ų46.354%0.53723%0.226SC..SBendtrans-61.9-9171.4-60.9-160.788.400114.2N101 E103N101-M125 HydrophobicContact CB-CB 4.25Å; N101-M125 HydrophobicContact CB-CG 3.8Å; N101-M125 HydrophobicContact CB-SD 3.79Å; N101-M125 PolarHBondContact O-N 2.95Å; E103-M125 HydrophobicContact CG-CE 4.39Å; E103-M125 HydrophobicContact CG-CG 3.67Å
126K88.5Confident92.6Very high133 Ų13345.3 Ų45.358%0.57822%0.222SC*.SBendtrans-147.4132.3-177.6-62.4-178.6-174.9171.50111.5Y124 D128 S129 A130Y124-K126 PolarHBondContact O-N 2.87Å; K126-D128 PolarHBondContact O-N 2.79Å; K126-S129 PolarHBondContact O-N 3.02Å; K126-A130 PolarHBondContact O-N 3.44Å
127K91.1Very high92.7Very high99 Ų9945 Ų4543%0.4322%0.22SC..Hα-helixtrans-52.3-36.4169.5-171.3176-152.4167.20113.4D75 S129 A130 S131 W151D75-K127 HydrophobicContact CB-CD 4.5Å; D75-K127 VanDerWaalsContact OD2-CD 3.3Å; D75-K127 WeakPolarHBondContact OD2-CD 3.42Å; D75-K127 VanDerWaalsContact OD2-CE 3.23Å; D75-K127 WeakPolarHBondContact OD2-CE 3.48Å; D75-K127 IonicContact OD2-NZ 2.63Å; D75-K127 PolarHBondContact OD2-NZ 3.04Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 2.95Å; K127-A130 PolarHBondContact O-N 2.9Å; K127-S131 VanDerWaalsContact O-CB 3.31Å; K127-S131 WeakPolarHBondContact O-CB 3.36Å; K127-S131 PolarHBondContact O-N 2.95Å; K127-S131 PolarHBondContact O-OG 2.64Å; K127-W151 HydrophobicContact CG-CH2 4.48Å
128D93.6Very high92.8Very high114 Ų11445.6 Ų45.661%0.6122%0.224SC*.Hα-helixtrans-61.3-35.4177.6-53.1-40.4000112.9K126 R132K126-D128 PolarHBondContact O-N 2.79Å; D128-R132 WeakPolarHBondContact O-CB 3.14Å; D128-R132 PolarHBondContact O-N 3.39Å; D128-R132 VanDerWaalsContact O-N 3.1Å
129S94.7Very high92.8Very high12 Ų1245.9 Ų45.98%0.08423%0.227CC..Hα-helixtrans-76.5-42178.9-59.40000111Y99 K126 K127 S131 R132 A133Y99-S129 WeakPolarHBondContact O-CB 3.43Å; Y99-S129 PolarHBondContact O-OG 3.33Å; K126-S129 PolarHBondContact O-N 3.02Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 2.95Å; S129-S131 VanDerWaalsContact C-N 3.33Å; S129-S131 PolarHBondContact O-N 3.1Å; S129-R132 PolarHBondContact O-N 2.9Å; S129-A133 WeakPolarHBondContact O-CB 3.3Å; S129-A133 PolarHBondContact O-N 3.38Å
130A94.9Very high92.6Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-60.2-42.2171.300000111.9S76 L78 Y124 K126 K127 R132 A133 R134 W151S76-A130 WeakPolarHBondContact O-CB 3.44Å; L78-A130 HydrophobicContact CD1-CB 4.45Å; L78-A130 WeakPolarHBondContact CD1-O 3.22Å; L78-A130 HydrophobicContact CG-CB 4.39Å; Y124-A130 VanDerWaalsContact CD2-CA 3.47Å; Y124-A130 HydrophobicContact CD2-CB 3.61Å; Y124-A130 HydrophobicContact CE2-CB 4.3Å; Y124-A130 HydrophobicContact CG-CB 4.31Å; K126-A130 PolarHBondContact O-N 3.44Å; K127-A130 PolarHBondContact O-N 2.9Å; A130-R132 PolarHBondContact O-N 3.12Å; A130-A133 PolarHBondContact O-N 3.08Å; A130-R134 WeakPolarHBondContact O-CB 3.26Å; A130-R134 PolarHBondContact O-N 3.39Å; A130-W151 HydrophobicContact CB-CH2 3.73Å; A130-W151 HydrophobicContact CB-CZ3 3.59Å
131S94.8Very high92.5Very high42 Ų4253.6 Ų53.629%0.29427%0.266SS..Hα-helixtrans-63.7-43.2179-570000111.3K127 S129 S135K127-S131 VanDerWaalsContact O-CB 3.31Å; K127-S131 WeakPolarHBondContact O-CB 3.36Å; K127-S131 PolarHBondContact O-N 2.95Å; K127-S131 PolarHBondContact O-OG 2.64Å; S129-S131 VanDerWaalsContact C-N 3.33Å; S129-S131 PolarHBondContact O-N 3.1Å; S131-S135 PolarHBondContact O-N 2.8Å; S131-S135 PolarHBondContact O-OG 3.43Å
132R94.4Very high92.2Very high131 Ų13155.3 Ų55.349%0.49428%0.275SS..Hα-helixtrans-62.6-48.5173.4-173-173.6-58.71215.7111.9Y99 D128 S129 A130 R134 S135 E136Y99-R132 HydrophobicContact CD1-CG 4.17Å; Y99-R132 PolarHBondContact O-NH1 3.04Å; D128-R132 WeakPolarHBondContact O-CB 3.14Å; D128-R132 PolarHBondContact O-N 3.39Å; D128-R132 VanDerWaalsContact O-N 3.1Å; S129-R132 PolarHBondContact O-N 2.9Å; A130-R132 PolarHBondContact O-N 3.12Å; R132-R134 VanDerWaalsContact C-N 3.32Å; R132-R134 PolarHBondContact O-N 2.72Å; R132-S135 PolarHBondContact O-N 3.06Å; R132-S135 VanDerWaalsContact O-N 3.17Å; R132-E136 PolarHBondContact O-N 3.34Å
133A95.3Very high91.8Very high0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-56.7-46.7178.600000111.2L78 Y99 Y124 S129 A130 S135 E136 L137L78-A133 HydrophobicContact CD1-CB 4Å; Y99-A133 HydrophobicContact CD1-CB 4.49Å; Y99-A133 HydrophobicContact CD2-CB 3.87Å; Y99-A133 HydrophobicContact CG-CB 3.72Å; Y124-A133 HydrophobicContact CE2-CB 3.76Å; Y124-A133 WeakPolarHBondContact OH-CB 3.38Å; S129-A133 WeakPolarHBondContact O-CB 3.3Å; S129-A133 PolarHBondContact O-N 3.38Å; A130-A133 PolarHBondContact O-N 3.08Å; A133-S135 PolarHBondContact O-N 3.27Å; A133-E136 PolarHBondContact O-N 3.19Å; A133-L137 WeakPolarHBondContact O-CB 3.16Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 3.45Å
134R94.2Very high91.4Very high68 Ų6863.1 Ų63.126%0.25734%0.336SS..Hα-helixtrans-60.7-45.7175.5-172.2173.7-174.2-122.72.5112L78 A130 R132 E136 L138 V149L78-R134 HydrophobicContact CD1-CB 4.13Å; L78-R134 HydrophobicContact CD2-CB 4.08Å; L78-R134 HydrophobicContact CD2-CG 4.46Å; A130-R134 WeakPolarHBondContact O-CB 3.26Å; A130-R134 PolarHBondContact O-N 3.39Å; R132-R134 VanDerWaalsContact C-N 3.32Å; R132-R134 PolarHBondContact O-N 2.72Å; R134-E136 VanDerWaalsContact C-N 3.3Å; R134-E136 PolarHBondContact O-N 2.88Å; R134-L138 WeakPolarHBondContact O-CB 3.43Å; R134-L138 PolarHBondContact O-N 2.9Å; R134-L138 VanDerWaalsContact O-N 3.15Å; R134-V149 HydrophobicContact CB-CG1 4.17Å; R134-V149 HydrophobicContact CG-CB 4.2Å; R134-V149 HydrophobicContact CG-CG1 3.95Å; R134-V149 PolarHBondContact NE-O 2.89Å
135S91.9Very high91.2Very high94 Ų9463.5 Ų63.566%0.65734%0.337SS*.Hα-helixtrans-66.7-25.1-179.3-71.30000114.9S131 R132 A133S131-S135 PolarHBondContact O-N 2.8Å; S131-S135 PolarHBondContact O-OG 3.43Å; R132-S135 PolarHBondContact O-N 3.06Å; R132-S135 VanDerWaalsContact O-N 3.17Å; A133-S135 PolarHBondContact O-N 3.27Å
136E91.4Very high91.3Very high111 Ų11160.5 Ų60.552%0.51933%0.327SS..Hα-helixtrans-102.1-30.3-178.5-158.6-175.8109.600113.7Y99 R132 A133 R134Y99-E136 HydrophobicContact CE1-CB 3.95Å; Y99-E136 VanDerWaalsContact CE1-CD 3.43Å; Y99-E136 HydrophobicContact CE1-CG 4.24Å; Y99-E136 WeakPolarHBondContact CE1-OE1 3.4Å; Y99-E136 PolarHBondContact OH-OE1 3.34Å; R132-E136 PolarHBondContact O-N 3.34Å; A133-E136 PolarHBondContact O-N 3.19Å; R134-E136 VanDerWaalsContact C-N 3.3Å; R134-E136 PolarHBondContact O-N 2.88Å
137L93.2Very high91.5Very high0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-85.6-24.5178.2-63.1178.7000112.9L80 L95 V96 Y99 A133 G139 R140 L147 V149L80-L137 HydrophobicContact CD2-CD1 3.71Å; L95-L137 HydrophobicContact CD1-CD2 4.1Å; L95-L137 HydrophobicContact CG-CD2 4.31Å; V96-L137 HydrophobicContact CG1-CD1 4.25Å; Y99-L137 HydrophobicContact CD2-CD1 4.1Å; Y99-L137 HydrophobicContact CD2-CG 4.43Å; Y99-L137 HydrophobicContact CE2-CD1 3.71Å; Y99-L137 HydrophobicContact CE2-CD2 3.72Å; Y99-L137 HydrophobicContact CE2-CG 3.7Å; A133-L137 WeakPolarHBondContact O-CB 3.16Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 3.45Å; L137-G139 PolarHBondContact O-N 2.97Å; L137-G139 VanDerWaalsContact O-N 3.13Å; L137-R140 VanDerWaalsContact O-CB 3.29Å; L137-R140 WeakPolarHBondContact O-CB 3.49Å; L137-R140 PolarHBondContact O-N 3.21Å; L137-L147 WeakPolarHBondContact O-CB 3.46Å; L137-V149 HydrophobicContact CB-CG2 3.91Å
138L92.8Very high91.5Very high27 Ų2750.4 Ų50.414%0.14128%0.284CS..THydrogen-bonded Turntrans-65.6112.4178.3-174.469.9000111.4R134 R140 M148 V149 A258 M261 I262R134-L138 WeakPolarHBondContact O-CB 3.43Å; R134-L138 PolarHBondContact O-N 2.9Å; R134-L138 VanDerWaalsContact O-N 3.15Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-M148 HydrophobicContact CD1-CE 3.58Å; L138-V149 HydrophobicContact CB-CB 4.39Å; L138-V149 HydrophobicContact CB-CG2 4.4Å; L138-V149 HydrophobicContact CD1-CB 4.16Å; L138-V149 VanDerWaalsContact CD1-N 3.34Å; L138-A258 HydrophobicContact CD1-CB 4.34Å; L138-M261 HydrophobicContact CD2-CE 3.94Å; L138-I262 HydrophobicContact CG-CG1 4.47Å
139G88.9Confident91.4Very high10 Ų1045.2 Ų45.210%0.10326%0.256CS..THydrogen-bonded Turntrans78.110.9-174.500000115L137 P141 L147L137-G139 PolarHBondContact O-N 2.97Å; L137-G139 VanDerWaalsContact O-N 3.13Å; G139-P141 WeakPolarHBondContact O-CD 3.41Å; G139-L147 PolarHBondContact N-O 3.16Å
140R91.1Very high91.3Very high81 Ų8146.4 Ų46.431%0.30626%0.261SS..  trans-65.6124.6170.1-179.4174.2172169.4-5.7108.7Y99 L137 L138 L147Y99-R140 PolarHBondContact OH-NH1 3.06Å; Y99-R140 VanDerWaalsContact OH-NH1 3.1Å; L137-R140 VanDerWaalsContact O-CB 3.29Å; L137-R140 WeakPolarHBondContact O-CB 3.49Å; L137-R140 PolarHBondContact O-N 3.21Å; L138-R140 VanDerWaalsContact C-N 3.32Å; R140-L147 HydrophobicContact CB-CD1 4.48Å; R140-L147 PolarHBondContact O-N 3.5Å
141P90.2Very high91.2Very high81 Ų8150.8 Ų50.853%0.52628%0.277SS..EExtended strand (participates in β ladder)trans-70138.417529.1-33.7000110.3G139 R145G139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-R145 WeakPolarHBondContact CA-O 3.39Å
142L88.4Confident90.9Very high36 Ų3649.6 Ų49.619%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-140.490.6175.5-169.269.4000108.5L83 P84 F87 R145 L147L83-L142 HydrophobicContact CD2-CD2 4.01Å; P84-L142 HydrophobicContact CG-CD2 4.33Å; P84-L142 HydrophobicContact CG-CG 4.4Å; F87-L142 HydrophobicContact CD2-CD2 4.26Å; F87-L142 HydrophobicContact CE1-CD2 4.43Å; F87-L142 HydrophobicContact CE2-CD2 4.01Å; F87-L142 HydrophobicContact CZ-CD2 4.11Å; L142-R145 PolarHBondContact N-O 3.19Å; L142-R145 PolarHBondContact O-N 2.96Å; L142-L147 HydrophobicContact CB-CD2 4.03Å; L142-L147 HydrophobicContact CB-CG 4.17Å; L142-L147 HydrophobicContact CD2-CD1 4.37Å; L142-L147 HydrophobicContact CD2-CD2 3.89Å
143G85.5Confident90.5Very high77 Ų7746.5 Ų46.579%0.79426%0.26SS*.THydrogen-bonded Turntrans72.8-131.2-169.500000111.8R145G143-R145 VanDerWaalsContact C-N 3.31Å
144D84.5Confident89.7Confident99 Ų9947 Ų4753%0.52926%0.263SS..THydrogen-bonded Turntrans-80.6-9.8174.569.7-48.4000113.3R172 R238D144-R172 IonicContact OD2-NH1 3.39Å; D144-R238 VanDerWaalsContact CG-NH1 3.33Å; D144-R238 PolarHBondContact O-NH1 3.37Å; D144-R238 PolarHBondContact O-NH2 2.85Å; D144-R238 IonicContact OD2-CZ 3.18Å; D144-R238 IonicContact OD2-NH1 2.71Å; D144-R238 PolarHBondContact OD2-NH1 3.35Å
145R87.8Confident88.7Confident9 Ų948 Ų483%0.03427%0.274CS..EExtended strand (participates in β ladder)trans-101.6159.7-176.4-67.8175.8179.7-152.9-9.7111.3N82 L83 H85 P141 L142 G143N82-R145 WeakPolarHBondContact O-CB 3.41Å; N82-R145 VanDerWaalsContact OD1-CD 3.29Å; N82-R145 WeakPolarHBondContact OD1-CD 3.33Å; N82-R145 WeakPolarHBondContact OD1-CG 3.32Å; L83-R145 PolarHBondContact O-NH1 2.92Å; H85-R145 PolarHBondContact CD2-NH1 2.82Å; H85-R145 PolarHBondContact NE2-NH1 3.04Å; H85-R145 PolarHBondContact NE2-NH2 3.45Å; P141-R145 WeakPolarHBondContact CA-O 3.39Å; L142-R145 PolarHBondContact N-O 3.19Å; L142-R145 PolarHBondContact O-N 2.96Å; G143-R145 VanDerWaalsContact C-N 3.31Å
146S89.8Confident87.7Confident46 Ų4647 Ų4732%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-126.1123.8173.6-70.30000109N82N82-S146 PolarHBondContact ND2-N 3.26Å; N82-S146 PolarHBondContact ND2-O 3.15Å
147L92.5Very high86.6Confident0 Ų042.6 Ų42.60%024%0.239CC..  trans-66.5135.9-169.5-58.8-176.5000111.9L83 L95 L137 G139 R140 L142L83-L147 HydrophobicContact CD2-CD2 3.57Å; L83-L147 HydrophobicContact CG-CD2 4.27Å; L95-L147 HydrophobicContact CD2-CD1 4.02Å; L137-L147 WeakPolarHBondContact O-CB 3.46Å; G139-L147 PolarHBondContact N-O 3.16Å; R140-L147 HydrophobicContact CB-CD1 4.48Å; R140-L147 PolarHBondContact O-N 3.5Å; L142-L147 HydrophobicContact CB-CD2 4.03Å; L142-L147 HydrophobicContact CB-CG 4.17Å; L142-L147 HydrophobicContact CD2-CD1 4.37Å; L142-L147 HydrophobicContact CD2-CD2 3.89Å
148M90.6Very high85.2Confident20 Ų2046.4 Ų46.410%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-110.3135.4176.7-64.2-91.462.200108.6L80 T81 N82 L138 L255 A258 I262L80-M148 CarbonylContact C-O 3.55Å; L80-M148 WeakPolarHBondContact CA-O 3.49Å; T81-M148 PolarHBondContact N-O 2.87Å; T81-M148 PolarHBondContact O-N 3.36Å; T81-M148 VanDerWaalsContact OG1-CB 3.32Å; T81-M148 WeakPolarHBondContact OG1-CB 3.46Å; N82-M148 HydrophobicContact CB-CG 4.4Å; L138-M148 HydrophobicContact CD1-CE 3.58Å; M148-L255 HydrophobicContact CG-CD2 4.17Å; M148-L255 HydrophobicContact SD-CD2 3.54Å; M148-L255 VanDerWaalsContact SD-CD2 3.54Å; M148-A258 HydrophobicContact CE-CB 3.62Å; M148-A258 HydrophobicContact SD-CB 4.3Å; M148-I262 HydrophobicContact CE-CD1 3.41Å; M148-I262 VanDerWaalsContact CE-CD1 3.41Å
149V93.5Very high83.8Confident5 Ų550.8 Ų50.83%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-137.7115.7-168.8-166.80000112.1L78 C79 L80 R134 L137 L138L78-V149 HydrophobicContact CB-CG1 4.23Å; L78-V149 HydrophobicContact CD1-CG1 3.93Å; L78-V149 HydrophobicContact CD2-CG1 4.31Å; L78-V149 HydrophobicContact CG-CG1 4.41Å; C79-V149 WeakPolarHBondContact O-CA 3.29Å; L80-V149 HydrophobicContact CD1-CG1 4.27Å; L80-V149 HydrophobicContact CG-CG1 4.21Å; L80-V149 HydrophobicContact CG-CG2 4.19Å; R134-V149 HydrophobicContact CB-CG1 4.17Å; R134-V149 HydrophobicContact CG-CB 4.2Å; R134-V149 HydrophobicContact CG-CG1 3.95Å; R134-V149 PolarHBondContact NE-O 2.89Å; L137-V149 HydrophobicContact CB-CG2 3.91Å; L138-V149 HydrophobicContact CB-CB 4.39Å; L138-V149 HydrophobicContact CB-CG2 4.4Å; L138-V149 HydrophobicContact CD1-CB 4.16Å; L138-V149 VanDerWaalsContact CD1-N 3.34Å
150Q91.4Very high82.6Confident38 Ų3858.3 Ų58.318%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-122.5143.4-171.5-169162.9-15.700111L78 C79 T243L78-Q150 VanDerWaalsContact CA-O 3.31Å; L78-Q150 WeakPolarHBondContact CA-O 3.49Å; C79-Q150 PolarHBondContact N-O 2.93Å; C79-Q150 PolarHBondContact O-N 3.43Å; Q150-T243 HydrophobicContact CB-CG2 4.14Å; Q150-T243 HydrophobicContact CG-CG2 4.2Å; Q150-T243 VanDerWaalsContact OE1-CB 3.28Å; Q150-T243 PolarHBondContact OE1-OG1 3.36Å
151W91.9Very high81.3Confident91 Ų9162.1 Ų62.135%0.34534%0.339SS..EExtended strand (participates in β ladder)trans-72.4137.6170.1-69.5116.3000109.5D75 L78 K127 A130D75-W151 WeakPolarHBondContact O-CZ3 3.49Å; L78-W151 HydrophobicContact CD2-CD2 3.77Å; L78-W151 HydrophobicContact CD2-CE3 3.41Å; L78-W151 VanDerWaalsContact CD2-CE3 3.41Å; L78-W151 HydrophobicContact CD2-CG 4.42Å; L78-W151 HydrophobicContact CD2-CH2 4.31Å; L78-W151 HydrophobicContact CD2-CZ3 3.72Å; L78-W151 HydrophobicContact CG-CE3 4.46Å; L78-W151 HydrophobicContact CG-CZ3 4.49Å; K127-W151 HydrophobicContact CG-CH2 4.48Å; A130-W151 HydrophobicContact CB-CH2 3.73Å; A130-W151 HydrophobicContact CB-CZ3 3.59Å
152M89.6Confident80.7Confident17 Ų1760.7 Ų60.78%0.08433%0.326CS..  trans-121.6150.2177.8-62.1-53-62.700111.3L77 C79 F121 T243 P244L77-M152 HydrophobicContact CD2-CB 3.55Å; L77-M152 HydrophobicContact CG-CB 3.9Å; L77-M152 PolarHBondContact O-N 2.95Å; C79-M152 HydrophobicContact CB-CG 3.64Å; C79-M152 HydrophobicContact CB-SD 4.04Å; F121-M152 HydrophobicContact CD1-CG 4.38Å; F121-M152 HydrophobicContact CE1-CG 4.12Å; M152-T243 HydrophobicContact CE-CG2 3.98Å; M152-T243 HydrophobicContact SD-CG2 3.26Å; M152-T243 WeakPolarHBondContact SD-CG2 3.5Å; M152-P244 VanDerWaalsContact CE-O 3.25Å; M152-P244 WeakPolarHBondContact CE-O 3.44Å
153D84.9Confident80.5Confident66 Ų6660.8 Ų60.835%0.35333%0.327SS..  trans-83.4127.4164-175.2-1.6000109.3N155 Q156D153-N155 PolarHBondContact O-N 2.92Å; D153-N155 WeakPolarHBondContact OD1-CB 3.37Å; D153-N155 VanDerWaalsContact OD1-CG 3.29Å; D153-N155 PolarHBondContact OD1-N 3.37Å; D153-N155 PolarHBondContact OD1-ND2 2.85Å; D153-N155 PolarHBondContact OD2-ND2 3.02Å; D153-N155 VanDerWaalsContact OD2-ND2 3.08Å; D153-Q156 HydrophobicContact CB-CG 4.1Å; D153-Q156 PolarHBondContact O-N 3.08Å; D153-Q156 VanDerWaalsContact O-N 3.17Å
154V78.6Confident80.6Confident11 Ų1158.3 Ų58.37%0.06730%0.295CS..THydrogen-bonded Turntrans-59.8-31.7176.1175.90000111.7T74 L77 Q156 L157 S158T74-V154 WeakPolarHBondContact O-CG2 3.24Å; T74-V154 WeakPolarHBondContact OG1-CG2 3.48Å; L77-V154 HydrophobicContact CB-CG2 3.82Å; L77-V154 HydrophobicContact CD2-CB 4.3Å; L77-V154 HydrophobicContact CD2-CG2 3.66Å; L77-V154 HydrophobicContact CG-CG2 4.3Å; V154-Q156 VanDerWaalsContact C-N 3.26Å; V154-Q156 PolarHBondContact O-N 2.83Å; V154-L157 PolarHBondContact O-N 2.94Å; V154-S158 PolarHBondContact O-OG 3.17Å
155N74.8Confident81Confident89 Ų8953.7 Ų53.748%0.47627%0.271SS..THydrogen-bonded Turntrans-61.9-36.2178.4-56.7-43.7000111.5D153 L157 S158D153-N155 PolarHBondContact O-N 2.92Å; D153-N155 WeakPolarHBondContact OD1-CB 3.37Å; D153-N155 VanDerWaalsContact OD1-CG 3.29Å; D153-N155 PolarHBondContact OD1-N 3.37Å; D153-N155 PolarHBondContact OD1-ND2 2.85Å; D153-N155 PolarHBondContact OD2-ND2 3.02Å; D153-N155 VanDerWaalsContact OD2-ND2 3.08Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.47Å; N155-S158 VanDerWaalsContact O-CB 3.23Å; N155-S158 WeakPolarHBondContact O-CB 3.49Å; N155-S158 PolarHBondContact O-N 3.41Å; N155-S158 VanDerWaalsContact O-N 3.11Å; N155-S158 PolarHBondContact O-OG 3.15Å; N155-S158 VanDerWaalsContact O-OG 3.08Å
156Q70.2Confident81.2Confident74 Ų7458 Ų5835%0.34629%0.289SS..G310 helixtrans-66.9-33.6-179.4-65.3175.511.400111.9D153 V154 S158 N162D153-Q156 HydrophobicContact CB-CG 4.1Å; D153-Q156 PolarHBondContact O-N 3.08Å; D153-Q156 VanDerWaalsContact O-N 3.17Å; V154-Q156 VanDerWaalsContact C-N 3.26Å; V154-Q156 PolarHBondContact O-N 2.83Å; Q156-S158 PolarHBondContact O-N 3.05Å; Q156-N162 WeakPolarHBondContact O-CB 3.31Å; Q156-N162 PolarHBondContact O-ND2 3.49Å
157L69.3Low81.4Confident18 Ų1855.9 Ų55.99%0.09428%0.275CS..G310 helixtrans-74.43.9174.8-53.5-168.7000114.1L77 F121 V154 N155 Q159 L163L77-L157 HydrophobicContact CD1-CD1 3.98Å; L77-L157 HydrophobicContact CD2-CD1 3.48Å; L77-L157 VanDerWaalsContact CD2-CD1 3.48Å; L77-L157 HydrophobicContact CD2-CG 3.97Å; L77-L157 HydrophobicContact CG-CD1 4.31Å; F121-L157 HydrophobicContact CB-CD1 4.47Å; F121-L157 HydrophobicContact CD1-CD1 3.84Å; F121-L157 HydrophobicContact CD1-CD2 4.15Å; F121-L157 HydrophobicContact CD2-CD1 4.44Å; F121-L157 HydrophobicContact CE1-CD1 4.11Å; F121-L157 HydrophobicContact CE1-CD2 3.53Å; F121-L157 HydrophobicContact CE1-CG 4.45Å; F121-L157 HydrophobicContact CE2-CD2 4.14Å; F121-L157 HydrophobicContact CG-CD1 4.01Å; F121-L157 HydrophobicContact CZ-CD1 4.49Å; F121-L157 HydrophobicContact CZ-CD2 3.51Å; V154-L157 PolarHBondContact O-N 2.94Å; N155-L157 VanDerWaalsContact C-N 3.32Å; N155-L157 PolarHBondContact O-N 3.47Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-L163 HydrophobicContact CB-CD2 4.29Å; L157-L163 HydrophobicContact CD2-CD2 4.02Å
158S62.2Low81.4Confident79 Ų7955.9 Ų55.955%0.55228%0.275SS*.G310 helixtrans-84.4-4.5179.7-52.50000113.2V154 N155 Q156V154-S158 PolarHBondContact O-OG 3.17Å; N155-S158 VanDerWaalsContact O-CB 3.23Å; N155-S158 WeakPolarHBondContact O-CB 3.49Å; N155-S158 PolarHBondContact O-N 3.41Å; N155-S158 VanDerWaalsContact O-N 3.11Å; N155-S158 PolarHBondContact O-OG 3.15Å; N155-S158 VanDerWaalsContact O-OG 3.08Å; Q156-S158 PolarHBondContact O-N 3.05Å
159Q63.3Low81.5Confident120 Ų12055.6 Ų55.656%0.56127%0.274SS*.SBendtrans-113.9125.6171.3-66.7173.5-4300107.5L157 E161 N162L157-Q159 VanDerWaalsContact C-N 3.28Å; Q159-E161 VanDerWaalsContact C-N 3.27Å; Q159-E161 PolarHBondContact O-N 2.88Å; Q159-N162 HydrophobicContact CB-CB 4.41Å; Q159-N162 WeakPolarHBondContact O-CB 3.47Å; Q159-N162 PolarHBondContact O-N 3.37Å; Q159-N162 PolarHBondContact OE1-ND2 3.03Å
160E64.1Low81.4Confident167 Ų16755.3 Ų55.378%0.7827%0.273SS*.G310 helixtrans-64.1-34.2-175-64.5176.1154.100111.5N162 L163E160-N162 PolarHBondContact O-N 3.38Å; E160-L163 VanDerWaalsContact O-CB 3.26Å; E160-L163 WeakPolarHBondContact O-CB 3.34Å; E160-L163 WeakPolarHBondContact O-CG 3.32Å; E160-L163 PolarHBondContact O-N 2.81Å
161E64.1Low81.3Confident161 Ų16155.2 Ų55.275%0.75227%0.273SS*.G310 helixtrans-55.5-34.6171.6-61179.6171.300113.3Q159 L163 H164Q159-E161 VanDerWaalsContact C-N 3.27Å; Q159-E161 PolarHBondContact O-N 2.88Å; E161-L163 PolarHBondContact O-N 3.13Å; E161-H164 PolarHBondContact O-N 2.89Å
162N77.1Confident81Confident51 Ų5154.5 Ų54.527%0.27327%0.271SS..G310 helixtrans-79-2.6178.7-70.7-24.6000113.4Q156 Q159 E160 H164 P244Q156-N162 WeakPolarHBondContact O-CB 3.31Å; Q156-N162 PolarHBondContact O-ND2 3.49Å; Q159-N162 HydrophobicContact CB-CB 4.41Å; Q159-N162 WeakPolarHBondContact O-CB 3.47Å; Q159-N162 PolarHBondContact O-N 3.37Å; Q159-N162 PolarHBondContact OE1-ND2 3.03Å; E160-N162 PolarHBondContact O-N 3.38Å; N162-H164 VanDerWaalsContact C-N 3.26Å; N162-P244 WeakPolarHBondContact O-CB 3.43Å
163L84.3Confident80.7Confident39 Ų3953.9 Ų53.920%0.20427%0.268CS..G310 helixtrans-73.1-25.2167.4-59.1177.7000111F106 Y119 F121 L157 E160 E161F106-L163 HydrophobicContact CE2-CD2 4.36Å; F106-L163 HydrophobicContact CZ-CD2 4.39Å; Y119-L163 WeakPolarHBondContact CE2-O 3.36Å; Y119-L163 PolarHBondContact OH-O 2.97Å; F121-L163 HydrophobicContact CE2-CD2 4.09Å; L157-L163 HydrophobicContact CB-CD2 4.29Å; L157-L163 HydrophobicContact CD2-CD2 4.02Å; E160-L163 VanDerWaalsContact O-CB 3.26Å; E160-L163 WeakPolarHBondContact O-CB 3.34Å; E160-L163 WeakPolarHBondContact O-CG 3.32Å; E160-L163 PolarHBondContact O-N 2.81Å; E161-L163 PolarHBondContact O-N 3.13Å
164H89Confident80.4Confident24 Ų2451.2 Ų51.211%0.11125%0.254CS..SBendtrans-97.1120.2-174.8-59.2-46.5000111.6E111 K117 E161 N162 A217E111-H164 IonicContact OE1-CD2 2.73Å; E111-H164 IonicContact OE1-CE1 3.2Å; E111-H164 PolarHBondContact OE1-CE1 3.04Å; E111-H164 IonicContact OE1-NE2 3.86Å; E111-H164 PolarHBondContact OE1-NE2 3Å; K117-H164 PolarHBondContact NZ-CE1 2.93Å; K117-H164 VanDerWaalsContact NZ-CE1 3.35Å; K117-H164 PolarHBondContact NZ-ND1 3.04Å; E161-H164 PolarHBondContact O-N 2.89Å; N162-H164 VanDerWaalsContact C-N 3.26Å; H164-A217 HydrophobicContact CB-CB 3.48Å; H164-A217 VanDerWaalsContact CB-CB 3.48Å
165S91.5Very high80.1Confident3 Ų357 Ų572%0.02128%0.284CS..  trans-77.8131.7-177.4-167.40000112.9Y119 C167 L241 C242Y119-S165 PolarHBondContact OH-N 2.81Å; S165-C167 VanDerWaalsContact C-N 3.35Å; S165-C167 PolarHBondContact OG-N 3.37Å; S165-C167 PolarHBondContact OG-O 3.42Å; S165-L241 VanDerWaalsContact O-CD2 3.28Å; S165-L241 WeakPolarHBondContact O-CD2 3.37Å; S165-C242 WeakPolarHBondContact CB-O 3.15Å; S165-C242 PolarHBondContact OG-O 2.5Å
166K92.7Very high79.7Confident99 Ų9959.9 Ų59.943%0.4330%0.299SS..  trans-86.7-5.7172.7-55.7-169.2176.1-165.60113.4E213 Y214 E215 A217K166-E213 WeakPolarHBondContact O-CA 3.46Å; K166-Y214 PolarHBondContact O-N 3.27Å; K166-E215 WeakPolarHBondContact CD-O 3.29Å; K166-E215 WeakPolarHBondContact CE-O 3.34Å; K166-E215 PolarHBondContact NZ-O 3.46Å; K166-A217 HydrophobicContact CG-CB 4.15Å
167C93.6Very high79.4Confident2 Ų257.9 Ų57.91%0.01429%0.291CS..EExtended strand (participates in β ladder)trans-109.2132-174.7-77.50000111.7S165 V212 C242 G248 T251S165-C167 VanDerWaalsContact C-N 3.35Å; S165-C167 PolarHBondContact OG-N 3.37Å; S165-C167 PolarHBondContact OG-O 3.42Å; C167-V212 CarbonylContact C-O 3.45Å; C167-V212 VanDerWaalsContact CA-O 3.32Å; C167-V212 WeakPolarHBondContact CA-O 3.39Å; C167-C242 HydrophobicContact CB-CB 3.62Å; C167-C242 WeakPolarHBondContact O-CB 3.06Å; C167-C242 PolarHBondContact O-N 2.91Å; C167-G248 VanDerWaalsContact SG-CA 3.59Å; C167-T251 HydrophobicContact CB-CG2 4.36Å
168L93.6Very high79Confident0 Ų060.4 Ų60.40%031%0.309CS..EExtended strand (participates in β ladder)trans-104.8139.9168.7-59.5-177.3000110.6V211 V212 Y214 A220 V223 L224 L239 S240 L241 C242L168-V211 WeakPolarHBondContact O-CA 3.41Å; L168-V212 PolarHBondContact N-O 2.85Å; L168-V212 PolarHBondContact O-N 3.41Å; L168-Y214 HydrophobicContact CD1-CE2 4.06Å; L168-A220 HydrophobicContact CD2-CB 4.3Å; L168-A220 HydrophobicContact CG-CB 4.3Å; L168-V223 HydrophobicContact CD1-CB 4.17Å; L168-V223 HydrophobicContact CD1-CG1 3.94Å; L168-L224 HydrophobicContact CD1-CB 4.48Å; L168-L224 HydrophobicContact CD2-CB 4.05Å; L168-L239 HydrophobicContact CD1-CD1 4.44Å; L168-S240 CarbonylContact C-O 3.59Å; L168-S240 WeakPolarHBondContact CA-O 3.26Å; L168-L241 HydrophobicContact CD2-CD2 3.57Å; L168-L241 HydrophobicContact CD2-CG 3.77Å; L168-C242 VanDerWaalsContact C-SG 3.53Å
169C92.5Very high79.7Confident13 Ų1361.2 Ų61.29%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-97121.5163179.20000107.9G210 S240 C242 L255C169-G210 WeakPolarHBondContact CA-O 3.3Å; C169-S240 PolarHBondContact N-O 3.2Å; C169-S240 PolarHBondContact O-N 3.4Å; C169-S240 VanDerWaalsContact O-N 3.08Å; C169-S240 PolarHBondContact O-OG 2.83Å; C169-C242 VanDerWaalsContact CB-SG 3.55Å; C169-C242 PolarHBondContact N-SG 3.41Å; C169-L255 HydrophobicContact CB-CD1 4.15Å
170V91.4Very high80.4Confident0 Ų058.1 Ų58.10%030%0.299CS..EExtended strand (participates in β ladder)trans-94.3124172-166.20000107.2L173 F187 F209 G210 V212 V237 L239V170-L173 HydrophobicContact CB-CD1 4.18Å; V170-L173 HydrophobicContact CG1-CD1 3.86Å; V170-L173 HydrophobicContact CG1-CD2 3.87Å; V170-L173 HydrophobicContact CG1-CG 3.86Å; V170-F187 HydrophobicContact CB-CE2 4.45Å; V170-F187 HydrophobicContact CG1-CE2 3.92Å; V170-F187 HydrophobicContact CG1-CZ 3.87Å; V170-F187 HydrophobicContact CG2-CD2 4.42Å; V170-F187 HydrophobicContact CG2-CE2 3.7Å; V170-F187 HydrophobicContact CG2-CZ 3.8Å; V170-F209 CarbonylContact O-C 3.59Å; V170-F209 WeakPolarHBondContact O-CA 3.17Å; V170-F209 VanDerWaalsContact O-CB 3.24Å; V170-F209 WeakPolarHBondContact O-CB 2.99Å; V170-G210 PolarHBondContact N-O 3.45Å; V170-G210 PolarHBondContact O-N 2.94Å; V170-V212 HydrophobicContact CG2-CG2 3.76Å; V170-V237 HydrophobicContact CG1-CB 4.29Å; V170-L239 HydrophobicContact CB-CD2 4.09Å; V170-L239 HydrophobicContact CG1-CD2 3.93Å; V170-L239 HydrophobicContact CG2-CD2 3.75Å
171D88.4Confident81.4Confident35 Ų3556.8 Ų56.819%0.18729%0.293CS..EExtended strand (participates in β ladder)trans-132163.2-174.3177.529.2000109.9L173 R238D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.48Å; D171-R238 HydrophobicContact CB-CB 4.32Å; D171-R238 PolarHBondContact N-O 3.4Å; D171-R238 PolarHBondContact O-N 2.9Å; D171-R238 IonicContact OD2-CZ 2.67Å; D171-R238 VanDerWaalsContact OD2-CZ 3.23Å; D171-R238 IonicContact OD2-NE 2.67Å; D171-R238 PolarHBondContact OD2-NE 3.29Å; D171-R238 IonicContact OD2-NH2 3.86Å; D171-R238 PolarHBondContact OD2-NH2 2.88Å
172R85.1Confident82.3Confident77 Ų7754.4 Ų54.429%0.29128%0.281SS..SBendtrans54.639.6-171.2-44.9-171.1-52.7-135.31.6113.3D144 G208 Q235 E236 R238D144-R172 IonicContact OD2-NH1 3.39Å; R172-G208 PolarHBondContact N-O 2.78Å; R172-Q235 PolarHBondContact O-NE2 2.98Å; R172-E236 PolarHBondContact NE-O 2.85Å; R172-E236 PolarHBondContact NH2-O 3.21Å; R172-R238 HydrophobicContact CG-CB 4.31Å
173L84.3Confident82.7Confident4 Ų452.2 Ų52.22%0.02127%0.269CS..  trans-69.3146.3168-72159.9000110.3V170 D171 L177 L183 L198 G208 Q235 V237V170-L173 HydrophobicContact CB-CD1 4.18Å; V170-L173 HydrophobicContact CG1-CD1 3.86Å; V170-L173 HydrophobicContact CG1-CD2 3.87Å; V170-L173 HydrophobicContact CG1-CG 3.86Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.48Å; L173-L177 HydrophobicContact CD2-CD1 3.87Å; L173-L183 HydrophobicContact CD1-CD1 4.1Å; L173-L183 HydrophobicContact CD1-CD2 4.37Å; L173-L183 HydrophobicContact CD2-CD1 3.58Å; L173-L198 HydrophobicContact CD1-CD2 3.66Å; L173-G208 PolarHBondContact N-O 3.48Å; L173-Q235 PolarHBondContact O-NE2 3.18Å; L173-V237 HydrophobicContact CD2-CG1 3.6Å; L173-V237 HydrophobicContact CG-CG1 4.35Å
174P78.4Confident82.8Confident9 Ų951.7 Ų51.76%0.05827%0.271CS..  trans-50.5141.3166.8-21.726.6000111.4D176 L177 V232 Q235P174-D176 PolarHBondContact O-N 2.87Å; P174-L177 HydrophobicContact CB-CD1 4.48Å; P174-L177 HydrophobicContact CB-CG 4.11Å; P174-L177 HydrophobicContact CG-CD1 3.96Å; P174-L177 HydrophobicContact CG-CG 4.06Å; P174-L177 PolarHBondContact O-N 3.23Å; P174-V232 WeakPolarHBondContact CG-O 3.44Å; P174-Q235 HydrophobicContact CG-CB 3.88Å
175L72.3Confident82.8Confident133 Ų13356.1 Ų56.170%0.69629%0.291SS*.THydrogen-bonded Turntrans-69.6-16.7176.3-68.6173.8000112.9R207L175-R207 HydrophobicContact CD2-CB 4.36Å
176D66.4Low82.5Confident150 Ų15058.8 Ų58.880%0.80230%0.303SS*.THydrogen-bonded Turntrans-84.4-15.1179.1-51-54.8000112.8P174 C178P174-D176 PolarHBondContact O-N 2.87Å; D176-C178 PolarHBondContact O-N 3.4Å
177L64.6Low82.3Confident32 Ų3254.1 Ų54.117%0.16828%0.283CS..  trans-74.889.4171.2-70.7-178.3000110.1L173 P174 V232L173-L177 HydrophobicContact CD2-CD1 3.87Å; P174-L177 HydrophobicContact CB-CD1 4.48Å; P174-L177 HydrophobicContact CB-CG 4.11Å; P174-L177 HydrophobicContact CG-CD1 3.96Å; P174-L177 HydrophobicContact CG-CG 4.06Å; P174-L177 PolarHBondContact O-N 3.23Å; L177-V232 HydrophobicContact CD1-CB 4.44Å; L177-V232 HydrophobicContact CD1-CG1 3.68Å
178C60.2Low82.2Confident70 Ų7056.5 Ų56.547%0.47330%0.299SS..  trans-83.6-22.8171.7-70.90000112.9D176 L198D176-C178 PolarHBondContact O-N 3.4Å; C178-L198 WeakPolarHBondContact O-CD1 3.31Å
179D75.9Confident81.8Confident96 Ų9663.9 Ų63.951%0.51333%0.334SS..  trans-95.8109.7-165.3-65.3-60.9000113E181 E182 L183D179-E181 PolarHBondContact O-N 2.93Å; D179-E182 HydrophobicContact CB-CB 4.45Å; D179-E182 HydrophobicContact CB-CG 4.05Å; D179-E182 PolarHBondContact O-N 3.49Å; D179-L183 PolarHBondContact O-N 3.24Å
180S79.6Confident81.5Confident56 Ų5665.7 Ų65.739%0.39234%0.344SS..Hα-helixtrans-66.1-18.1174.654.70000113.2A184S180-A184 VanDerWaalsContact O-CB 3.29Å; S180-A184 WeakPolarHBondContact O-CB 3.5Å; S180-A184 PolarHBondContact O-N 3Å
181E84.4Confident81.5Confident139 Ų13970.3 Ų70.365%0.6536%0.363SS*.Hα-helixtrans-74.9-43.3176.6-170.6170.117500111.8D179 L183 A184 Q185D179-E181 PolarHBondContact O-N 2.93Å; E181-L183 VanDerWaalsContact C-N 3.29Å; E181-L183 PolarHBondContact O-N 3.39Å; E181-A184 PolarHBondContact O-N 2.94Å; E181-Q185 WeakPolarHBondContact O-CG 3.34Å; E181-Q185 PolarHBondContact O-N 3Å
182E83.6Confident81.7Confident111 Ų11177.2 Ų77.252%0.51939%0.391SS..Hα-helixtrans-59.8-42.9172.1-64.4-166.915100111D179 A184 Q185 F186D179-E182 HydrophobicContact CB-CB 4.45Å; D179-E182 HydrophobicContact CB-CG 4.05Å; D179-E182 PolarHBondContact O-N 3.49Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.85Å; E182-Q185 PolarHBondContact O-N 3.03Å; E182-F186 PolarHBondContact O-N 3.17Å
183L84.4Confident82.1Confident4 Ų474.4 Ų74.42%0.02138%0.383CS..Hα-helixtrans-60-44.3175.2-16575.9000111.6L173 D179 E181 F186 F187 L198L173-L183 HydrophobicContact CD1-CD1 4.1Å; L173-L183 HydrophobicContact CD1-CD2 4.37Å; L173-L183 HydrophobicContact CD2-CD1 3.58Å; D179-L183 PolarHBondContact O-N 3.24Å; E181-L183 VanDerWaalsContact C-N 3.29Å; E181-L183 PolarHBondContact O-N 3.39Å; L183-F186 PolarHBondContact O-N 3.26Å; L183-F187 HydrophobicContact CD1-CD2 4.11Å; L183-F187 HydrophobicContact CD1-CE2 3.74Å; L183-F187 HydrophobicContact CG-CD2 3.95Å; L183-F187 HydrophobicContact CG-CE2 4.07Å; L183-F187 VanDerWaalsContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CD2 3.26Å; L183-F187 PolarHBondContact O-N 3.45Å; L183-L198 HydrophobicContact CD2-CD2 3.7Å; L183-L198 HydrophobicContact CD2-CG 3.95Å
184A87.4Confident82.6Confident28 Ų2879 Ų7923%0.23141%0.411CS..Hα-helixtrans-68.1-33.6177.800000112.9S180 E181 E182 S188 C196S180-A184 VanDerWaalsContact O-CB 3.29Å; S180-A184 WeakPolarHBondContact O-CB 3.5Å; S180-A184 PolarHBondContact O-N 3Å; E181-A184 PolarHBondContact O-N 2.94Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.85Å; A184-S188 VanDerWaalsContact O-CB 3.24Å; A184-S188 WeakPolarHBondContact O-CB 3.19Å; A184-S188 PolarHBondContact O-N 3.33Å; A184-S188 VanDerWaalsContact O-N 3.17Å; A184-S188 PolarHBondContact O-OG 2.81Å; A184-C196 HydrophobicContact CB-CB 3.88Å
185Q87.6Confident83.2Confident117 Ų11779.7 Ų79.755%0.54741%0.413SS..Hα-helixtrans-66.7-47.5173.5-72.4177.725.300110.7E181 E182 S188E181-Q185 WeakPolarHBondContact O-CG 3.34Å; E181-Q185 PolarHBondContact O-N 3Å; E182-Q185 PolarHBondContact O-N 3.03Å; Q185-S188 WeakPolarHBondContact CA-OG 3.42Å; Q185-S188 WeakPolarHBondContact O-CB 3.49Å; Q185-S188 PolarHBondContact O-N 2.84Å; Q185-S188 PolarHBondContact O-OG 3.16Å
186F86.6Confident84.2Confident59 Ų5974.6 Ų74.626%0.25939%0.388SS..Hα-helixtrans-57.6-52.3176.3-170.2-100.1000111.5E182 L183 S188 E189 M227 V232E182-F186 PolarHBondContact O-N 3.17Å; L183-F186 PolarHBondContact O-N 3.26Å; F186-S188 PolarHBondContact O-N 2.63Å; F186-E189 PolarHBondContact O-N 2.8Å; F186-M227 HydrophobicContact CD1-CE 3.82Å; F186-M227 HydrophobicContact CD1-SD 4.24Å; F186-M227 HydrophobicContact CE1-CE 3.49Å; F186-M227 VanDerWaalsContact CE1-CE 3.49Å; F186-M227 HydrophobicContact CE1-SD 4.02Å; F186-M227 HydrophobicContact CE2-CE 4.3Å; F186-M227 HydrophobicContact CG-CE 4.36Å; F186-M227 HydrophobicContact CZ-CE 3.75Å; F186-M227 WeakPolarHBondContact O-CE 3.33Å; F186-V232 HydrophobicContact CD1-CG2 3.9Å; F186-V232 HydrophobicContact CE1-CG2 3.47Å; F186-V232 VanDerWaalsContact CE1-CG2 3.47Å; F186-V232 HydrophobicContact CE2-CG2 4.24Å; F186-V232 HydrophobicContact CG-CG2 4.45Å; F186-V232 HydrophobicContact CZ-CG2 3.67Å
187F88.6Confident85.3Confident1 Ų171.5 Ų71.50%0.00437%0.369CS..THydrogen-bonded Turntrans-72.56.9176.3-74.7-64.6000115.1V170 L183 V212 Y214 V223 M227 L239V170-F187 HydrophobicContact CB-CE2 4.45Å; V170-F187 HydrophobicContact CG1-CE2 3.92Å; V170-F187 HydrophobicContact CG1-CZ 3.87Å; V170-F187 HydrophobicContact CG2-CD2 4.42Å; V170-F187 HydrophobicContact CG2-CE2 3.7Å; V170-F187 HydrophobicContact CG2-CZ 3.8Å; L183-F187 HydrophobicContact CD1-CD2 4.11Å; L183-F187 HydrophobicContact CD1-CE2 3.74Å; L183-F187 HydrophobicContact CG-CD2 3.95Å; L183-F187 HydrophobicContact CG-CE2 4.07Å; L183-F187 VanDerWaalsContact O-CD2 3.29Å; L183-F187 WeakPolarHBondContact O-CD2 3.26Å; L183-F187 PolarHBondContact O-N 3.45Å; F187-V212 HydrophobicContact CB-CG1 4.37Å; F187-V212 HydrophobicContact CD2-CG2 4Å; F187-V212 HydrophobicContact CG-CG2 4.17Å; F187-Y214 PolarHBondContact O-OH 3.03Å; F187-V223 HydrophobicContact CD1-CG1 3.9Å; F187-V223 HydrophobicContact CE1-CG1 4.3Å; F187-M227 HydrophobicContact CD1-SD 3.59Å; F187-M227 VanDerWaalsContact CD1-SD 3.59Å; F187-M227 HydrophobicContact CE1-CB 4.14Å; F187-M227 HydrophobicContact CE1-SD 3.75Å; F187-L239 HydrophobicContact CE1-CD1 4.03Å; F187-L239 HydrophobicContact CE1-CD2 3.93Å; F187-L239 HydrophobicContact CZ-CD2 3.83Å
188S90Very high86.4Confident52 Ų5270.9 Ų70.936%0.36437%0.365SS..THydrogen-bonded Turntrans-101.6-1.3172.474.90000114.9A184 Q185 F186 Y191A184-S188 VanDerWaalsContact O-CB 3.24Å; A184-S188 WeakPolarHBondContact O-CB 3.19Å; A184-S188 PolarHBondContact O-N 3.33Å; A184-S188 VanDerWaalsContact O-N 3.17Å; A184-S188 PolarHBondContact O-OG 2.81Å; Q185-S188 WeakPolarHBondContact CA-OG 3.42Å; Q185-S188 WeakPolarHBondContact O-CB 3.49Å; Q185-S188 PolarHBondContact O-N 2.84Å; Q185-S188 PolarHBondContact O-OG 3.16Å; F186-S188 PolarHBondContact O-N 2.63Å; S188-Y191 WeakPolarHBondContact CA-O 3.32Å
189E85.6Confident87.7Confident155 Ų15567.8 Ų67.872%0.72435%0.345SS*.SBendtrans-60.2-51.3-177.7-174167-161.700112.4F186 M227F186-E189 PolarHBondContact O-N 2.8Å; E189-M227 HydrophobicContact CB-CE 4.32Å
190T87.6Confident87.7Confident51 Ų5168.1 Ų68.131%0.31334%0.343SS..SBendtrans-85.1-46.2178.7-29.50000113E226T190-E226 WeakPolarHBondContact CB-OE2 3.44Å; T190-E226 WeakPolarHBondContact CG2-OE2 3.44Å; T190-E226 PolarHBondContact OG1-OE2 3.1Å
191Y91.4Very high87Confident97 Ų9769.2 Ų69.238%0.3835%0.345SS..SBendtrans-145.7143.1-177.5-61.5-79.9000109.6S188 P193 Y214 Q219 A222 V223S188-Y191 WeakPolarHBondContact CA-O 3.32Å; Y191-P193 WeakPolarHBondContact O-CD 3.07Å; Y191-Y214 WeakPolarHBondContact O-CE1 3.37Å; Y191-Q219 HydrophobicContact CD1-CG 3.89Å; Y191-Q219 HydrophobicContact CD2-CB 4.37Å; Y191-Q219 HydrophobicContact CE1-CG 4.13Å; Y191-Q219 HydrophobicContact CG-CB 4.27Å; Y191-Q219 HydrophobicContact CG-CG 4.11Å; Y191-A222 HydrophobicContact CE2-CB 3.76Å; Y191-V223 HydrophobicContact CD2-CG2 3.81Å
192K92.4Very high85.7Confident180 Ų18070.7 Ų70.778%0.78335%0.352SS*.  trans-75.4123.8176.5-174.3178179.9178.10111.1
193P93.8Very high84.4Confident19 Ų1969 Ų6912%0.12336%0.364CS..  trans-73146.3176.129.5-33.7000112Y191 C196 V212 E213 Y214Y191-P193 WeakPolarHBondContact O-CD 3.07Å; P193-C196 HydrophobicContact CG-CB 4.26Å; P193-V212 HydrophobicContact CB-CG1 3.49Å; P193-V212 VanDerWaalsContact CB-CG1 3.49Å; P193-V212 HydrophobicContact CG-CG1 4.25Å; P193-E213 CarbonylContact C-O 3.55Å; P193-Y214 HydrophobicContact CB-CD1 4.36Å; P193-Y214 HydrophobicContact CB-CE1 3.88Å
194V93.4Very high83.1Confident100 Ų10070 Ų7061%0.60637%0.371SS*.SBendtrans-77.5-34.8174.7179.80000110.7E213 E215V194-E213 PolarHBondContact N-O 3.39Å; V194-E215 HydrophobicContact CG2-CB 4.05Å
195F92.4Very high81.8Confident24 Ų2473.7 Ų73.711%0.10539%0.393CS..EExtended strand (participates in β ladder)trans-143.3137.3172.9169.4-96.8000109.3Q197 V211 V212 E213 R249 L252F195-Q197 HydrophobicContact CE1-CB 3.96Å; F195-Q197 HydrophobicContact CE2-CB 3.8Å; F195-Q197 VanDerWaalsContact CE2-OE1 3.28Å; F195-Q197 HydrophobicContact CZ-CB 3.39Å; F195-Q197 HydrophobicContact CZ-CG 4.31Å; F195-Q197 VanDerWaalsContact CZ-OE1 3.28Å; F195-V211 HydrophobicContact CE1-CG1 4.44Å; F195-V212 CarbonylContact O-C 3.55Å; F195-V212 VanDerWaalsContact O-CA 3.32Å; F195-V212 WeakPolarHBondContact O-CA 3.27Å; F195-E213 HydrophobicContact CB-CB 4.07Å; F195-E213 PolarHBondContact N-O 3.24Å; F195-E213 PolarHBondContact O-N 2.6Å; F195-R249 HydrophobicContact CD2-CG 3.84Å; F195-R249 HydrophobicContact CE1-CG 4.28Å; F195-R249 HydrophobicContact CE2-CG 3.36Å; F195-R249 HydrophobicContact CG-CG 4.47Å; F195-R249 HydrophobicContact CZ-CB 4.39Å; F195-R249 HydrophobicContact CZ-CG 3.59Å; F195-L252 HydrophobicContact CE1-CD2 4.47Å; F195-L252 HydrophobicContact CZ-CD2 4.11Å
196C91.8Very high80.7Confident25 Ų2568.4 Ų68.417%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-142.6124.4171.7178.30000107.3A184 P193 V211 V212A184-C196 HydrophobicContact CB-CB 3.88Å; P193-C196 HydrophobicContact CG-CB 4.26Å; C196-V211 WeakPolarHBondContact CA-O 3.44Å; C196-V212 HydrophobicContact CB-CG1 4.47Å; C196-V212 HydrophobicContact CB-CG2 4.46Å
197Q89.7Confident79.8Confident85 Ų8572.3 Ų72.340%0.39738%0.382SS..EExtended strand (participates in β ladder)trans-154.1135.3177.7-170.1174.3-7.200111.9F195 G210 V211 L252F195-Q197 HydrophobicContact CE1-CB 3.96Å; F195-Q197 HydrophobicContact CE2-CB 3.8Å; F195-Q197 VanDerWaalsContact CE2-OE1 3.28Å; F195-Q197 HydrophobicContact CZ-CB 3.39Å; F195-Q197 HydrophobicContact CZ-CG 4.31Å; F195-Q197 VanDerWaalsContact CZ-OE1 3.28Å; Q197-G210 WeakPolarHBondContact O-CA 3.41Å; Q197-V211 PolarHBondContact N-O 3.36Å; Q197-V211 PolarHBondContact O-N 3.05Å; Q197-L252 HydrophobicContact CB-CD2 3.88Å; Q197-L252 HydrophobicContact CG-CD2 3.87Å
198L89.1Confident79.4Confident19 Ų1973 Ų7310%0.09939%0.39CS..EExtended strand (participates in β ladder)trans-69.2146.8171.7-75.5167.7000111.5L173 C178 L183 Q200L173-L198 HydrophobicContact CD1-CD2 3.66Å; C178-L198 WeakPolarHBondContact O-CD1 3.31Å; L183-L198 HydrophobicContact CD2-CD2 3.7Å; L183-L198 HydrophobicContact CD2-CG 3.95Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.3Å
199A85.6Confident79.3Confident5 Ų570.7 Ų70.74%0.04137%0.373CS..  trans-77.987168.600000110F209 L252 I256A199-F209 HydrophobicContact CB-CD1 3.53Å; A199-F209 HydrophobicContact CB-CD2 3.81Å; A199-F209 HydrophobicContact CB-CE1 3.21Å; A199-F209 HydrophobicContact CB-CE2 3.52Å; A199-F209 HydrophobicContact CB-CG 3.82Å; A199-F209 HydrophobicContact CB-CZ 3.22Å; A199-F209 VanDerWaalsContact CB-O 3.26Å; A199-F209 WeakPolarHBondContact CB-O 3.47Å; A199-F209 PolarHBondContact N-O 3.06Å; A199-L252 HydrophobicContact CB-CD1 3.85Å; A199-I256 HydrophobicContact CB-CD1 4.19Å; A199-I256 HydrophobicContact CB-CG1 4Å
200Q76.9Confident79.6Confident104 Ų10463.3 Ų63.349%0.48634%0.338SS..  trans-122.7127174.4-167.4179.176.100108.4L198L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.3Å
201D64.6Low79.8Confident78 Ų7860.9 Ų60.942%0.41732%0.323SS..  trans-141.2137.7-179.5173.334.3000108.8G203 S204D201-G203 PolarHBondContact O-N 2.93Å; D201-S204 PolarHBondContact O-N 3.32Å; D201-S204 VanDerWaalsContact O-N 3.08Å; D201-S204 VanDerWaalsContact OD2-CB 3.29Å; D201-S204 WeakPolarHBondContact OD2-CB 3.15Å; D201-S204 PolarHBondContact OD2-OG 3.11Å
202E57.4Low79.9Confident170 Ų17056.2 Ų56.279%0.79431%0.305SS*.THydrogen-bonded Turntrans-78.962.5-159.8-77.8-65.5103.300112.7
203G55.6Low80.1Confident76 Ų7649.4 Ų49.478%0.78428%0.276SS*.THydrogen-bonded Turntrans142.2-0.2-175.800000114.1D201D201-G203 PolarHBondContact O-N 2.93Å
204S58.4Low80.1Confident24 Ų2448.6 Ų48.617%0.16827%0.27CS..  trans-88.6139.6-173.4-1430000112.9D201 V206D201-S204 PolarHBondContact O-N 3.32Å; D201-S204 VanDerWaalsContact O-N 3.08Å; D201-S204 VanDerWaalsContact OD2-CB 3.29Å; D201-S204 WeakPolarHBondContact OD2-CB 3.15Å; D201-S204 PolarHBondContact OD2-OG 3.11Å; S204-V206 PolarHBondContact O-N 2.88Å
205P60Low80.1Confident107 Ų10750.5 Ų50.570%0.69527%0.273SS*.SBendtrans-77.3-2.117633.4-36.9000113.5L263P205-L263 HydrophobicContact CB-CD1 4.34Å; P205-L263 HydrophobicContact CG-CD1 3.81Å
206V63.9Low80Confident6 Ų650.7 Ų50.74%0.03628%0.277CS..  trans-94.2113.3179.2-61.40000109.6S204 F209 I256 Q259 L263S204-V206 PolarHBondContact O-N 2.88Å; V206-F209 HydrophobicContact CB-CE1 4.1Å; V206-F209 HydrophobicContact CG2-CE1 4.25Å; V206-I256 HydrophobicContact CG2-CG2 4.21Å; V206-Q259 HydrophobicContact CB-CB 4.39Å; V206-Q259 HydrophobicContact CG1-CB 3.63Å; V206-L263 HydrophobicContact CG1-CD1 3.51Å
207R67.6Low80Confident141 Ų14149.8 Ų49.853%0.53227%0.271SS..  trans-145.7162.3179.3-65.2-174.2176.6-152-7.3108.3L175L175-R207 HydrophobicContact CD2-CB 4.36Å
208G80.2Confident80.1Confident16 Ų1650.8 Ų50.817%0.16528%0.276CS..SBendtrans86.417.9179.600000114.9R172 L173R172-G208 PolarHBondContact N-O 2.78Å; L173-G208 PolarHBondContact N-O 3.48Å
209F88.5Confident80.3Confident2 Ų251.8 Ų51.81%0.00928%0.28CS..  trans-137.5165.7168.284.5-83000111V170 A199 V206 L252 L255 I256 Q259V170-F209 CarbonylContact O-C 3.59Å; V170-F209 WeakPolarHBondContact O-CA 3.17Å; V170-F209 VanDerWaalsContact O-CB 3.24Å; V170-F209 WeakPolarHBondContact O-CB 2.99Å; A199-F209 HydrophobicContact CB-CD1 3.53Å; A199-F209 HydrophobicContact CB-CD2 3.81Å; A199-F209 HydrophobicContact CB-CE1 3.21Å; A199-F209 HydrophobicContact CB-CE2 3.52Å; A199-F209 HydrophobicContact CB-CG 3.82Å; A199-F209 HydrophobicContact CB-CZ 3.22Å; A199-F209 VanDerWaalsContact CB-O 3.26Å; A199-F209 WeakPolarHBondContact CB-O 3.47Å; A199-F209 PolarHBondContact N-O 3.06Å; V206-F209 HydrophobicContact CB-CE1 4.1Å; V206-F209 HydrophobicContact CG2-CE1 4.25Å; F209-L252 HydrophobicContact CE2-CD1 4.37Å; F209-L255 HydrophobicContact CE2-CB 3.69Å; F209-L255 HydrophobicContact CE2-CD1 4.32Å; F209-L255 HydrophobicContact CZ-CB 4.16Å; F209-I256 HydrophobicContact CZ-CG1 3.78Å; F209-Q259 VanDerWaalsContact CD1-NE2 3.29Å
210G90.4Very high80.6Confident0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-158.6173.9179.300000112.1C169 V170 Q197C169-G210 WeakPolarHBondContact CA-O 3.3Å; V170-G210 PolarHBondContact N-O 3.45Å; V170-G210 PolarHBondContact O-N 2.94Å; Q197-G210 WeakPolarHBondContact O-CA 3.41Å
211V93.4Very high81.3Confident0 Ų047.5 Ų47.50%026%0.26CS..EExtended strand (participates in β ladder)trans-127.8136177.5174.10000110.6L168 F195 C196 Q197 T251 L252 L255L168-V211 WeakPolarHBondContact O-CA 3.41Å; F195-V211 HydrophobicContact CE1-CG1 4.44Å; C196-V211 WeakPolarHBondContact CA-O 3.44Å; Q197-V211 PolarHBondContact N-O 3.36Å; Q197-V211 PolarHBondContact O-N 3.05Å; V211-T251 HydrophobicContact CG1-CG2 4.09Å; V211-T251 HydrophobicContact CG2-CG2 4.24Å; V211-L252 HydrophobicContact CB-CB 4.12Å; V211-L252 HydrophobicContact CB-CD1 4.18Å; V211-L252 HydrophobicContact CG2-CB 3.97Å; V211-L252 HydrophobicContact CG2-CD1 3.82Å; V211-L255 HydrophobicContact CG2-CD1 3.68Å
212V93.5Very high82.6Confident0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-122.6140175.5-170.50000108.6C167 L168 V170 F187 P193 F195 C196 Y214C167-V212 CarbonylContact C-O 3.45Å; C167-V212 VanDerWaalsContact CA-O 3.32Å; C167-V212 WeakPolarHBondContact CA-O 3.39Å; L168-V212 PolarHBondContact N-O 2.85Å; L168-V212 PolarHBondContact O-N 3.41Å; V170-V212 HydrophobicContact CG2-CG2 3.76Å; F187-V212 HydrophobicContact CB-CG1 4.37Å; F187-V212 HydrophobicContact CD2-CG2 4Å; F187-V212 HydrophobicContact CG-CG2 4.17Å; P193-V212 HydrophobicContact CB-CG1 3.49Å; P193-V212 VanDerWaalsContact CB-CG1 3.49Å; P193-V212 HydrophobicContact CG-CG1 4.25Å; F195-V212 CarbonylContact O-C 3.55Å; F195-V212 VanDerWaalsContact O-CA 3.32Å; F195-V212 WeakPolarHBondContact O-CA 3.27Å; C196-V212 HydrophobicContact CB-CG1 4.47Å; C196-V212 HydrophobicContact CB-CG2 4.46Å; V212-Y214 HydrophobicContact CB-CE2 4.34Å; V212-Y214 HydrophobicContact CG1-CD2 4.32Å; V212-Y214 HydrophobicContact CG1-CE2 3.54Å
213E94.8Very high84.3Confident36 Ų3637.4 Ų37.417%0.16822%0.216CC..EExtended strand (participates in β ladder)trans-129.2133.3179.8-178.3173-149.500109.9K166 P193 V194 F195 S247 G248K166-E213 WeakPolarHBondContact O-CA 3.46Å; P193-E213 CarbonylContact C-O 3.55Å; V194-E213 PolarHBondContact N-O 3.39Å; F195-E213 HydrophobicContact CB-CB 4.07Å; F195-E213 PolarHBondContact N-O 3.24Å; F195-E213 PolarHBondContact O-N 2.6Å; E213-S247 VanDerWaalsContact OE1-CA 3.23Å; E213-S247 WeakPolarHBondContact OE1-CA 3.46Å; E213-S247 WeakPolarHBondContact OE1-CB 3.33Å; E213-G248 PolarHBondContact OE1-N 2.98Å; E213-G248 WeakPolarHBondContact OE2-CA 3.23Å; E213-G248 PolarHBondContact OE2-N 3.35Å
214Y94.7Very high86Confident2 Ų234.5 Ų34.51%0.00818%0.182CC..  trans-109.9166.5179-69.6-80.4000111.7K166 L168 F187 Y191 P193 V212 Q219 A220 V223K166-Y214 PolarHBondContact O-N 3.27Å; L168-Y214 HydrophobicContact CD1-CE2 4.06Å; F187-Y214 PolarHBondContact O-OH 3.03Å; Y191-Y214 WeakPolarHBondContact O-CE1 3.37Å; P193-Y214 HydrophobicContact CB-CD1 4.36Å; P193-Y214 HydrophobicContact CB-CE1 3.88Å; V212-Y214 HydrophobicContact CB-CE2 4.34Å; V212-Y214 HydrophobicContact CG1-CD2 4.32Å; V212-Y214 HydrophobicContact CG1-CE2 3.54Å; Y214-Q219 HydrophobicContact CD1-CB 4.33Å; Y214-Q219 HydrophobicContact CG-CB 4.19Å; Y214-A220 HydrophobicContact CD2-CB 3.93Å; Y214-V223 HydrophobicContact CE1-CG2 4.15Å; Y214-V223 HydrophobicContact CE2-CB 4.22Å; Y214-V223 HydrophobicContact CE2-CG1 4.24Å; Y214-V223 HydrophobicContact CE2-CG2 4.19Å
215E92.8Very high87.5Confident140 Ų14038.4 Ų38.465%0.65421%0.205SC*.SBendtrans-72.2-34.7-177.8-175.5172.9-15000111.6K166 V194K166-E215 WeakPolarHBondContact CD-O 3.29Å; K166-E215 WeakPolarHBondContact CE-O 3.34Å; K166-E215 PolarHBondContact NZ-O 3.46Å; V194-E215 HydrophobicContact CG2-CB 4.05Å
216S91.9Very high88.9Confident29 Ų2939 Ų3920%0.20320%0.198CC..SBendtrans-122.4160.6176.9107.90000111.4E218 Q219 A220S216-E218 VanDerWaalsContact C-N 3.35Å; S216-E218 WeakPolarHBondContact CB-OE2 3.28Å; S216-E218 PolarHBondContact OG-N 2.97Å; S216-E218 PolarHBondContact OG-OE2 2.95Å; S216-Q219 PolarHBondContact OG-N 3.02Å; S216-A220 PolarHBondContact O-N 3.44Å
217A91.1Very high90.1Very high5 Ų539 Ų394%0.04120%0.198CC..Hα-helixtrans-79.5-25179.100000111.9H164 K166 A220 E221H164-A217 HydrophobicContact CB-CB 3.48Å; H164-A217 VanDerWaalsContact CB-CB 3.48Å; K166-A217 HydrophobicContact CG-CB 4.15Å; A217-A220 PolarHBondContact O-N 3.11Å; A217-E221 WeakPolarHBondContact O-CB 3.39Å; A217-E221 PolarHBondContact O-N 2.85Å
218E91.1Very high91.2Very high107 Ų10734 Ų3450%0.518%0.182SC..Hα-helixtrans-68.6-39.4176-52.465.6-134.400110.2S216 E221 A222S216-E218 VanDerWaalsContact C-N 3.35Å; S216-E218 WeakPolarHBondContact CB-OE2 3.28Å; S216-E218 PolarHBondContact OG-N 2.97Å; S216-E218 PolarHBondContact OG-OE2 2.95Å; E218-E221 PolarHBondContact O-N 3.28Å; E218-A222 WeakPolarHBondContact O-CB 3.31Å; E218-A222 PolarHBondContact O-N 3.31Å
219Q93Very high91.6Very high39 Ų3940.9 Ų40.918%0.18220%0.203CC..Hα-helixtrans-58.9-48.3169.6-69.5171.9-4.500111.3Y191 Y214 S216 E221 A222 V223Y191-Q219 HydrophobicContact CD1-CG 3.89Å; Y191-Q219 HydrophobicContact CD2-CB 4.37Å; Y191-Q219 HydrophobicContact CE1-CG 4.13Å; Y191-Q219 HydrophobicContact CG-CB 4.27Å; Y191-Q219 HydrophobicContact CG-CG 4.11Å; Y214-Q219 HydrophobicContact CD1-CB 4.33Å; Y214-Q219 HydrophobicContact CG-CB 4.19Å; S216-Q219 PolarHBondContact OG-N 3.02Å; Q219-E221 VanDerWaalsContact C-N 3.31Å; Q219-E221 PolarHBondContact O-N 3Å; Q219-A222 PolarHBondContact O-N 2.79Å; Q219-V223 WeakPolarHBondContact O-CG2 3.1Å; Q219-V223 PolarHBondContact O-N 3.03Å
220A93.1Very high91.6Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-62.9-36.3178.300000112.3L168 Y214 S216 A217 L224 L241L168-A220 HydrophobicContact CD2-CB 4.3Å; L168-A220 HydrophobicContact CG-CB 4.3Å; Y214-A220 HydrophobicContact CD2-CB 3.93Å; S216-A220 PolarHBondContact O-N 3.44Å; A217-A220 PolarHBondContact O-N 3.11Å; A220-L224 VanDerWaalsContact O-CB 3.3Å; A220-L224 WeakPolarHBondContact O-CB 3.32Å; A220-L224 PolarHBondContact O-N 2.99Å; A220-L241 HydrophobicContact CB-CD2 4.33Å
221E91.6Very high91.4Very high20 Ų2048.3 Ų48.39%0.09324%0.244CC..Hα-helixtrans-72.3-37.1176.8-174.2169.7157.300113.2S110 K117 A217 E218 Q219 L224 T225S110-E221 WeakPolarHBondContact CB-OE1 3.08Å; S110-E221 PolarHBondContact OG-OE1 3.13Å; K117-E221 WeakPolarHBondContact CE-OE2 3.44Å; K117-E221 IonicContact NZ-OE2 3.04Å; K117-E221 PolarHBondContact NZ-OE2 3.23Å; A217-E221 WeakPolarHBondContact O-CB 3.39Å; A217-E221 PolarHBondContact O-N 2.85Å; E218-E221 PolarHBondContact O-N 3.28Å; Q219-E221 VanDerWaalsContact C-N 3.31Å; Q219-E221 PolarHBondContact O-N 3Å; E221-L224 PolarHBondContact O-N 2.87Å; E221-T225 WeakPolarHBondContact O-CB 3.48Å; E221-T225 PolarHBondContact O-N 2.8Å; E221-T225 PolarHBondContact O-OG1 3.27Å
222A91.5Very high90.9Very high35 Ų3549 Ų4929%0.28925%0.248SC..Hα-helixtrans-62.6-50.9173.100000110.9Y191 E218 Q219 L224 T225 E226Y191-A222 HydrophobicContact CE2-CB 3.76Å; E218-A222 WeakPolarHBondContact O-CB 3.31Å; E218-A222 PolarHBondContact O-N 3.31Å; Q219-A222 PolarHBondContact O-N 2.79Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 2.81Å; A222-T225 PolarHBondContact O-N 3.04Å; A222-E226 PolarHBondContact O-N 2.69Å
223V92.6Very high90.1Very high1 Ų152.3 Ų52.31%0.00628%0.282CS..Hα-helixtrans-62.1-39.4176.71760000111.8L168 F187 Y191 Y214 Q219 T225 E226 M227L168-V223 HydrophobicContact CD1-CB 4.17Å; L168-V223 HydrophobicContact CD1-CG1 3.94Å; F187-V223 HydrophobicContact CD1-CG1 3.9Å; F187-V223 HydrophobicContact CE1-CG1 4.3Å; Y191-V223 HydrophobicContact CD2-CG2 3.81Å; Y214-V223 HydrophobicContact CE1-CG2 4.15Å; Y214-V223 HydrophobicContact CE2-CB 4.22Å; Y214-V223 HydrophobicContact CE2-CG1 4.24Å; Y214-V223 HydrophobicContact CE2-CG2 4.19Å; Q219-V223 WeakPolarHBondContact O-CG2 3.1Å; Q219-V223 PolarHBondContact O-N 3.03Å; V223-T225 VanDerWaalsContact C-N 3.26Å; V223-T225 PolarHBondContact O-N 3.01Å; V223-E226 PolarHBondContact O-N 3.41Å; V223-M227 HydrophobicContact CG1-CB 4.32Å; V223-M227 HydrophobicContact CG1-CG 4.21Å; V223-M227 HydrophobicContact CG1-SD 4.06Å; V223-M227 VanDerWaalsContact O-CB 3.31Å; V223-M227 WeakPolarHBondContact O-CB 3.31Å; V223-M227 PolarHBondContact O-N 3.31Å
224L92.1Very high89.4Confident15 Ų1554 Ų548%0.07931%0.309CS..Hα-helixtrans-56.3-42.9172.6169.864.5000111.7L168 A220 E221 A222 D228 L239 L241L168-L224 HydrophobicContact CD1-CB 4.48Å; L168-L224 HydrophobicContact CD2-CB 4.05Å; A220-L224 VanDerWaalsContact O-CB 3.3Å; A220-L224 WeakPolarHBondContact O-CB 3.32Å; A220-L224 PolarHBondContact O-N 2.99Å; E221-L224 PolarHBondContact O-N 2.87Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 2.81Å; L224-D228 WeakPolarHBondContact O-CB 3.42Å; L224-D228 PolarHBondContact O-N 3.17Å; L224-L239 HydrophobicContact CD1-CB 3.45Å; L224-L239 VanDerWaalsContact CD1-CB 3.45Å; L224-L241 HydrophobicContact CD2-CD1 3.46Å; L224-L241 VanDerWaalsContact CD2-CD1 3.46Å; L224-L241 HydrophobicContact CD2-CG 3.87Å
225T89.3Confident89Confident105 Ų10558 Ų5864%0.64433%0.328SS*.Hα-helixtrans-76.2-33.9-174.8-54.90000112.2E221 A222 V223E221-T225 WeakPolarHBondContact O-CB 3.48Å; E221-T225 PolarHBondContact O-N 2.8Å; E221-T225 PolarHBondContact O-OG1 3.27Å; A222-T225 PolarHBondContact O-N 3.04Å; V223-T225 VanDerWaalsContact C-N 3.26Å; V223-T225 PolarHBondContact O-N 3.01Å
226E90Very high88.8Confident119 Ų11956.3 Ų56.356%0.55632%0.32SS*.Hα-helixtrans-83.2-36.9179.4-174.4166.2-13800112.9T190 A222 V223T190-E226 WeakPolarHBondContact CB-OE2 3.44Å; T190-E226 WeakPolarHBondContact CG2-OE2 3.44Å; T190-E226 PolarHBondContact OG1-OE2 3.1Å; A222-E226 PolarHBondContact O-N 2.69Å; V223-E226 PolarHBondContact O-N 3.41Å
227M89.1Confident88.7Confident7 Ų755 Ų553%0.03431%0.31CS..Hα-helixtrans-107.4-5.9-169-62.2-162.4126.700116.3F186 F187 E189 V223 R229 T230 L239F186-M227 HydrophobicContact CD1-CE 3.82Å; F186-M227 HydrophobicContact CD1-SD 4.24Å; F186-M227 HydrophobicContact CE1-CE 3.49Å; F186-M227 VanDerWaalsContact CE1-CE 3.49Å; F186-M227 HydrophobicContact CE1-SD 4.02Å; F186-M227 HydrophobicContact CE2-CE 4.3Å; F186-M227 HydrophobicContact CG-CE 4.36Å; F186-M227 HydrophobicContact CZ-CE 3.75Å; F186-M227 WeakPolarHBondContact O-CE 3.33Å; F187-M227 HydrophobicContact CD1-SD 3.59Å; F187-M227 VanDerWaalsContact CD1-SD 3.59Å; F187-M227 HydrophobicContact CE1-CB 4.14Å; F187-M227 HydrophobicContact CE1-SD 3.75Å; E189-M227 HydrophobicContact CB-CE 4.32Å; V223-M227 HydrophobicContact CG1-CB 4.32Å; V223-M227 HydrophobicContact CG1-CG 4.21Å; V223-M227 HydrophobicContact CG1-SD 4.06Å; V223-M227 VanDerWaalsContact O-CB 3.31Å; V223-M227 WeakPolarHBondContact O-CB 3.31Å; V223-M227 PolarHBondContact O-N 3.31Å; M227-R229 PolarHBondContact O-N 3.35Å; M227-T230 HydrophobicContact CB-CG2 4.32Å; M227-T230 WeakPolarHBondContact O-CG2 3.4Å; M227-T230 PolarHBondContact O-N 3.27Å; M227-T230 PolarHBondContact O-OG1 2.88Å; M227-L239 HydrophobicContact CB-CD1 3.64Å
228D90Very high88.7Confident37 Ų3755.7 Ų55.720%0.19831%0.312CS..THydrogen-bonded Turntrans-60.9131.9171.9-173.349.1000110L224 T230 R238 L239L224-D228 WeakPolarHBondContact O-CB 3.42Å; L224-D228 PolarHBondContact O-N 3.17Å; D228-T230 PolarHBondContact O-N 2.87Å; D228-R238 WeakPolarHBondContact OD1-CA 3.26Å; D228-L239 HydrophobicContact CB-CB 4.2Å; D228-L239 PolarHBondContact OD1-N 3.47Å
229R88.3Confident88.7Confident159 Ų15950.6 Ų50.660%0.629%0.288SS*.THydrogen-bonded Turntrans66.715.2-178.8-39.2179.3-167-157.31.9115.7M227 V237M227-R229 PolarHBondContact O-N 3.35Å; R229-V237 WeakPolarHBondContact CA-O 3.41Å; R229-V237 PolarHBondContact N-O 3.23Å
230T88.9Confident88.7Confident37 Ų3749.1 Ų49.123%0.22728%0.282CS..  trans-62.7151.5165.651.20000111.3M227 D228 V232 E236 V237M227-T230 HydrophobicContact CB-CG2 4.32Å; M227-T230 WeakPolarHBondContact O-CG2 3.4Å; M227-T230 PolarHBondContact O-N 3.27Å; M227-T230 PolarHBondContact O-OG1 2.88Å; D228-T230 PolarHBondContact O-N 2.87Å; T230-V232 PolarHBondContact O-N 3.46Å; T230-E236 WeakPolarHBondContact O-CA 3.48Å; T230-V237 PolarHBondContact O-N 2.8Å; T230-V237 WeakPolarHBondContact OG1-CG2 3.42Å
231L86.8Confident88.7Confident121 Ų12149.3 Ų49.363%0.63428%0.283SS*.EExtended strand (participates in β ladder)trans-90.7100-179.9-70.8172.7000110.2E236L231-E236 HydrophobicContact CD2-CG 3.67Å
232V82.3Confident88.8Confident16 Ų1648.6 Ų48.610%0.09728%0.28CS..EExtended strand (participates in β ladder)trans-102.9126172.9-164.30000108.2P174 L177 F186 T230 G234 Q235 V237P174-V232 WeakPolarHBondContact CG-O 3.44Å; L177-V232 HydrophobicContact CD1-CB 4.44Å; L177-V232 HydrophobicContact CD1-CG1 3.68Å; F186-V232 HydrophobicContact CD1-CG2 3.9Å; F186-V232 HydrophobicContact CE1-CG2 3.47Å; F186-V232 VanDerWaalsContact CE1-CG2 3.47Å; F186-V232 HydrophobicContact CE2-CG2 4.24Å; F186-V232 HydrophobicContact CG-CG2 4.45Å; F186-V232 HydrophobicContact CZ-CG2 3.67Å; T230-V232 PolarHBondContact O-N 3.46Å; V232-G234 PolarHBondContact O-N 2.92Å; V232-Q235 PolarHBondContact N-O 2.92Å; V232-Q235 PolarHBondContact O-N 2.95Å; V232-V237 HydrophobicContact CB-CG1 3.76Å; V232-V237 HydrophobicContact CG2-CB 4.44Å; V232-V237 HydrophobicContact CG2-CG1 3.55Å; V232-V237 HydrophobicContact CG2-CG2 4.01Å
233G76.3Confident88.8Confident69 Ų6947.1 Ų47.171%0.71127%0.268SS*.THydrogen-bonded Turntrans5720.6-175.500000114.9
234G81.5Confident88.7Confident70 Ų7047.1 Ų47.172%0.72227%0.268SS*.THydrogen-bonded Turntrans86.16.6-175.600000115.9V232V232-G234 PolarHBondContact O-N 2.92Å
235Q85.6Confident88.3Confident88 Ų8848.9 Ų48.941%0.41129%0.29SS..EExtended strand (participates in β ladder)trans-119.1141176.6-163.8169.8-85.900111.7R172 L173 P174 V232 V237R172-Q235 PolarHBondContact O-NE2 2.98Å; L173-Q235 PolarHBondContact O-NE2 3.18Å; P174-Q235 HydrophobicContact CG-CB 3.88Å; V232-Q235 PolarHBondContact N-O 2.92Å; V232-Q235 PolarHBondContact O-N 2.95Å; Q235-V237 PolarHBondContact O-N 2.98Å; Q235-V237 VanDerWaalsContact O-N 3.13Å
236E89.4Confident88.1Confident104 Ų10445.3 Ų45.349%0.48627%0.267SS..EExtended strand (participates in β ladder)trans-72.6101177.2-70.1-175.7-171.800111.5R172 T230 L231R172-E236 PolarHBondContact NE-O 2.85Å; R172-E236 PolarHBondContact NH2-O 3.21Å; T230-E236 WeakPolarHBondContact O-CA 3.48Å; L231-E236 HydrophobicContact CD2-CG 3.67Å
237V89.7Confident88.2Confident0 Ų042.6 Ų42.60%026%0.261CS..  trans-64.6150.6174.1-57.90000110.6V170 L173 R229 T230 V232 Q235V170-V237 HydrophobicContact CG1-CB 4.29Å; L173-V237 HydrophobicContact CD2-CG1 3.6Å; L173-V237 HydrophobicContact CG-CG1 4.35Å; R229-V237 WeakPolarHBondContact CA-O 3.41Å; R229-V237 PolarHBondContact N-O 3.23Å; T230-V237 PolarHBondContact O-N 2.8Å; T230-V237 WeakPolarHBondContact OG1-CG2 3.42Å; V232-V237 HydrophobicContact CB-CG1 3.76Å; V232-V237 HydrophobicContact CG2-CB 4.44Å; V232-V237 HydrophobicContact CG2-CG1 3.55Å; V232-V237 HydrophobicContact CG2-CG2 4.01Å; Q235-V237 PolarHBondContact O-N 2.98Å; Q235-V237 VanDerWaalsContact O-N 3.13Å
238R90.2Very high88.2Confident20 Ų2042.2 Ų42.28%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-112.1130.3174176.2162.361.7-1695.1109.1D144 D171 R172 D228D144-R238 VanDerWaalsContact CG-NH1 3.33Å; D144-R238 PolarHBondContact O-NH1 3.37Å; D144-R238 PolarHBondContact O-NH2 2.85Å; D144-R238 IonicContact OD2-CZ 3.18Å; D144-R238 IonicContact OD2-NH1 2.71Å; D144-R238 PolarHBondContact OD2-NH1 3.35Å; D171-R238 HydrophobicContact CB-CB 4.32Å; D171-R238 PolarHBondContact N-O 3.4Å; D171-R238 PolarHBondContact O-N 2.9Å; D171-R238 IonicContact OD2-CZ 2.67Å; D171-R238 VanDerWaalsContact OD2-CZ 3.23Å; D171-R238 IonicContact OD2-NE 2.67Å; D171-R238 PolarHBondContact OD2-NE 3.29Å; D171-R238 IonicContact OD2-NH2 3.86Å; D171-R238 PolarHBondContact OD2-NH2 2.88Å; R172-R238 HydrophobicContact CG-CB 4.31Å; D228-R238 WeakPolarHBondContact OD1-CA 3.26Å
239L91.7Very high88.3Confident0 Ų049.2 Ų49.20%028%0.283CS..EExtended strand (participates in β ladder)trans-103.9146.9171.2-62.8-175.4000110.8L168 V170 F187 L224 M227 D228L168-L239 HydrophobicContact CD1-CD1 4.44Å; V170-L239 HydrophobicContact CB-CD2 4.09Å; V170-L239 HydrophobicContact CG1-CD2 3.93Å; V170-L239 HydrophobicContact CG2-CD2 3.75Å; F187-L239 HydrophobicContact CE1-CD1 4.03Å; F187-L239 HydrophobicContact CE1-CD2 3.93Å; F187-L239 HydrophobicContact CZ-CD2 3.83Å; L224-L239 HydrophobicContact CD1-CB 3.45Å; L224-L239 VanDerWaalsContact CD1-CB 3.45Å; M227-L239 HydrophobicContact CB-CD1 3.64Å; D228-L239 HydrophobicContact CB-CB 4.2Å; D228-L239 PolarHBondContact OD1-N 3.47Å
240S92.4Very high88.5Confident8 Ų844.5 Ų44.56%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-154.7140.4176.254.90000110.1L168 C169L168-S240 CarbonylContact C-O 3.59Å; L168-S240 WeakPolarHBondContact CA-O 3.26Å; C169-S240 PolarHBondContact N-O 3.2Å; C169-S240 PolarHBondContact O-N 3.4Å; C169-S240 VanDerWaalsContact O-N 3.08Å; C169-S240 PolarHBondContact O-OG 2.83Å
241L93.4Very high88.7Confident4 Ų442.9 Ų42.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-73.5130.2176.2-80.5151.6000110.5K117 Y119 S165 L168 A220 L224K117-L241 HydrophobicContact CB-CD1 3.87Å; K117-L241 HydrophobicContact CD-CD1 4.17Å; K117-L241 HydrophobicContact CG-CD1 4.37Å; Y119-L241 HydrophobicContact CD1-CB 3.79Å; Y119-L241 HydrophobicContact CE1-CB 3.44Å; Y119-L241 VanDerWaalsContact CE1-CB 3.44Å; Y119-L241 HydrophobicContact CE1-CD1 3.95Å; Y119-L241 HydrophobicContact CE1-CG 4.21Å; S165-L241 VanDerWaalsContact O-CD2 3.28Å; S165-L241 WeakPolarHBondContact O-CD2 3.37Å; L168-L241 HydrophobicContact CD2-CD2 3.57Å; L168-L241 HydrophobicContact CD2-CG 3.77Å; A220-L241 HydrophobicContact CB-CD2 4.33Å; L224-L241 HydrophobicContact CD2-CD1 3.46Å; L224-L241 VanDerWaalsContact CD2-CD1 3.46Å; L224-L241 HydrophobicContact CD2-CG 3.87Å
242C93.2Very high88.9Confident5 Ų537.6 Ų37.63%0.03424%0.237CC..PPolyproline II helixtrans-74.6173.3175.8-71.10000111.6S165 C167 L168 C169 T251S165-C242 WeakPolarHBondContact CB-O 3.15Å; S165-C242 PolarHBondContact OG-O 2.5Å; C167-C242 HydrophobicContact CB-CB 3.62Å; C167-C242 WeakPolarHBondContact O-CB 3.06Å; C167-C242 PolarHBondContact O-N 2.91Å; L168-C242 VanDerWaalsContact C-SG 3.53Å; C169-C242 VanDerWaalsContact CB-SG 3.55Å; C169-C242 PolarHBondContact N-SG 3.41Å; C242-T251 HydrophobicContact CB-CG2 3.52Å; C242-T251 WeakPolarHBondContact SG-CG2 3.25Å
243T91.8Very high89.3Confident5 Ų539.6 Ų39.63%0.03126%0.256CS..PPolyproline II helixtrans-55125.9169-46.70000110.4C79 Q150 M152 T246C79-T243 HydrophobicContact CB-CG2 3.91Å; Q150-T243 HydrophobicContact CB-CG2 4.14Å; Q150-T243 HydrophobicContact CG-CG2 4.2Å; Q150-T243 VanDerWaalsContact OE1-CB 3.28Å; Q150-T243 PolarHBondContact OE1-OG1 3.36Å; M152-T243 HydrophobicContact CE-CG2 3.98Å; M152-T243 HydrophobicContact SD-CG2 3.26Å; M152-T243 WeakPolarHBondContact SD-CG2 3.5Å; T243-T246 PolarHBondContact O-OG1 2.93Å
244P90.3Very high89.9Confident1 Ų138 Ų381%0.00624%0.235CC..THydrogen-bonded Turntrans-71.1163174.730.6-35.3000111.3Y119 F121 M152 N162 T246Y119-P244 HydrophobicContact CE2-CG 4.18Å; F121-P244 HydrophobicContact CE1-CG 4.4Å; F121-P244 HydrophobicContact CZ-CG 3.68Å; M152-P244 VanDerWaalsContact CE-O 3.25Å; M152-P244 WeakPolarHBondContact CE-O 3.44Å; N162-P244 WeakPolarHBondContact O-CB 3.43Å; P244-T246 VanDerWaalsContact C-N 3.26Å; P244-T246 PolarHBondContact O-N 3.08Å
245G83.9Confident90.3Very high52 Ų5235.5 Ų35.554%0.53621%0.205SC..THydrogen-bonded Turntrans80.9-15179.100000115.8
246T85.4Confident90.5Very high29 Ų2932.8 Ų32.818%0.17819%0.194CC..SBendtrans-104.4129.4171.549.40000112.3T243 P244 T251T243-T246 PolarHBondContact O-OG1 2.93Å; P244-T246 VanDerWaalsContact C-N 3.26Å; P244-T246 PolarHBondContact O-N 3.08Å; T246-T251 PolarHBondContact O-OG1 3.33Å; T246-T251 PolarHBondContact OG1-OG1 3.35Å
247S91.1Very high90.4Very high62 Ų6230.6 Ų30.643%0.43419%0.193SC..  trans-66.3157.517760.40000112.5E213 R249 S250 T251E213-S247 VanDerWaalsContact OE1-CA 3.23Å; E213-S247 WeakPolarHBondContact OE1-CA 3.46Å; E213-S247 WeakPolarHBondContact OE1-CB 3.33Å; S247-R249 VanDerWaalsContact C-N 3.27Å; S247-R249 PolarHBondContact O-N 2.85Å; S247-R249 VanDerWaalsContact O-N 3.13Å; S247-S250 WeakPolarHBondContact O-CA 3.49Å; S247-S250 WeakPolarHBondContact O-CB 3.23Å; S247-S250 PolarHBondContact O-N 2.84Å; S247-T251 WeakPolarHBondContact O-CB 3.3Å; S247-T251 PolarHBondContact O-N 2.6Å; S247-T251 PolarHBondContact O-OG1 2.89Å
248G90.1Very high90.3Very high0 Ų031 Ų310%020%0.196CC..Hα-helixtrans-54.3-39-170.200000113.8C167 E213 T251 L252C167-G248 VanDerWaalsContact SG-CA 3.59Å; E213-G248 PolarHBondContact OE1-N 2.98Å; E213-G248 WeakPolarHBondContact OE2-CA 3.23Å; E213-G248 PolarHBondContact OE2-N 3.35Å; G248-T251 PolarHBondContact O-N 2.91Å; G248-L252 VanDerWaalsContact O-CB 3.26Å; G248-L252 WeakPolarHBondContact O-CB 3.17Å; G248-L252 PolarHBondContact O-N 2.78Å
249R92.3Very high90Very high183 Ų18332.3 Ų32.369%0.69120%0.204SC*.Hα-helixtrans-63.3-42.1173.8-70-178.9178.2-168.9-0.8113.2F195 S247 A253F195-R249 HydrophobicContact CD2-CG 3.84Å; F195-R249 HydrophobicContact CE1-CG 4.28Å; F195-R249 HydrophobicContact CE2-CG 3.36Å; F195-R249 HydrophobicContact CG-CG 4.47Å; F195-R249 HydrophobicContact CZ-CB 4.39Å; F195-R249 HydrophobicContact CZ-CG 3.59Å; S247-R249 VanDerWaalsContact C-N 3.27Å; S247-R249 PolarHBondContact O-N 2.85Å; S247-R249 VanDerWaalsContact O-N 3.13Å; R249-A253 PolarHBondContact O-N 3.41Å
250S92.1Very high89.6Confident61 Ų6133.8 Ų33.843%0.42722%0.219SC..Hα-helixtrans-71.2-42.9178.2-173.20000110.9S247 A253 A254S247-S250 WeakPolarHBondContact O-CA 3.49Å; S247-S250 WeakPolarHBondContact O-CB 3.23Å; S247-S250 PolarHBondContact O-N 2.84Å; S250-A253 PolarHBondContact O-N 2.81Å; S250-A254 VanDerWaalsContact O-CB 3.3Å; S250-A254 WeakPolarHBondContact O-CB 3.27Å; S250-A254 PolarHBondContact O-N 2.96Å
251T92.1Very high89Confident2 Ų237.6 Ų37.61%0.01224%0.237CC..Hα-helixtrans-58.4-47.4174.5-63.90000111.7C167 V211 C242 T246 S247 G248 A254 L255C167-T251 HydrophobicContact CB-CG2 4.36Å; V211-T251 HydrophobicContact CG1-CG2 4.09Å; V211-T251 HydrophobicContact CG2-CG2 4.24Å; C242-T251 HydrophobicContact CB-CG2 3.52Å; C242-T251 WeakPolarHBondContact SG-CG2 3.25Å; T246-T251 PolarHBondContact O-OG1 3.33Å; T246-T251 PolarHBondContact OG1-OG1 3.35Å; S247-T251 WeakPolarHBondContact O-CB 3.3Å; S247-T251 PolarHBondContact O-N 2.6Å; S247-T251 PolarHBondContact O-OG1 2.89Å; G248-T251 PolarHBondContact O-N 2.91Å; T251-A254 PolarHBondContact O-N 2.85Å; T251-L255 HydrophobicContact CG2-CD1 4.13Å; T251-L255 WeakPolarHBondContact O-CB 3.48Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.19Å
252L91.3Very high88.4Confident10 Ų1038.8 Ų38.85%0.05224%0.243CC..Hα-helixtrans-59.8-50.2176.5-177.963.4000111.8F195 Q197 A199 F209 V211 G248 A254 L255 I256F195-L252 HydrophobicContact CE1-CD2 4.47Å; F195-L252 HydrophobicContact CZ-CD2 4.11Å; Q197-L252 HydrophobicContact CB-CD2 3.88Å; Q197-L252 HydrophobicContact CG-CD2 3.87Å; A199-L252 HydrophobicContact CB-CD1 3.85Å; F209-L252 HydrophobicContact CE2-CD1 4.37Å; V211-L252 HydrophobicContact CB-CB 4.12Å; V211-L252 HydrophobicContact CB-CD1 4.18Å; V211-L252 HydrophobicContact CG2-CB 3.97Å; V211-L252 HydrophobicContact CG2-CD1 3.82Å; G248-L252 VanDerWaalsContact O-CB 3.26Å; G248-L252 WeakPolarHBondContact O-CB 3.17Å; G248-L252 PolarHBondContact O-N 2.78Å; L252-A254 VanDerWaalsContact C-N 3.31Å; L252-A254 PolarHBondContact O-N 3.04Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-I256 HydrophobicContact CD1-CD1 4.19Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 3.32Å
253A91.2Very high87.5Confident59 Ų5942 Ų4249%0.48826%0.259SS..Hα-helixtrans-61.6-38.6177.300000112.4R249 S250 A257R249-A253 PolarHBondContact O-N 3.41Å; S250-A253 PolarHBondContact O-N 2.81Å; A253-A257 WeakPolarHBondContact O-CB 3.5Å; A253-A257 PolarHBondContact O-N 3.5Å
254A89.9Confident86.3Confident34 Ų3444.8 Ų44.828%0.28128%0.279SS..Hα-helixtrans-65.9-40.117600000112.3S250 T251 L252 A258S250-A254 VanDerWaalsContact O-CB 3.3Å; S250-A254 WeakPolarHBondContact O-CB 3.27Å; S250-A254 PolarHBondContact O-N 2.96Å; T251-A254 PolarHBondContact O-N 2.85Å; L252-A254 VanDerWaalsContact C-N 3.31Å; L252-A254 PolarHBondContact O-N 3.04Å; A254-A258 WeakPolarHBondContact O-CB 3.19Å; A254-A258 PolarHBondContact O-N 2.98Å
255L89.1Confident85Confident18 Ų1850.7 Ų50.79%0.09431%0.31CS..Hα-helixtrans-68.7-43.7176.3-71171.5000112.1M148 C169 F209 V211 T251 L252 A257 A258 Q259M148-L255 HydrophobicContact CG-CD2 4.17Å; M148-L255 HydrophobicContact SD-CD2 3.54Å; M148-L255 VanDerWaalsContact SD-CD2 3.54Å; C169-L255 HydrophobicContact CB-CD1 4.15Å; F209-L255 HydrophobicContact CE2-CB 3.69Å; F209-L255 HydrophobicContact CE2-CD1 4.32Å; F209-L255 HydrophobicContact CZ-CB 4.16Å; V211-L255 HydrophobicContact CG2-CD1 3.68Å; T251-L255 HydrophobicContact CG2-CD1 4.13Å; T251-L255 WeakPolarHBondContact O-CB 3.48Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 3.19Å; L252-L255 PolarHBondContact O-N 2.93Å; L255-A257 PolarHBondContact O-N 3.4Å; L255-A258 PolarHBondContact O-N 3.06Å; L255-Q259 WeakPolarHBondContact O-CG 3.31Å; L255-Q259 PolarHBondContact O-N 2.75Å
256I89.1Confident83.5Confident32 Ų3257 Ų5716%0.16432%0.318CS..Hα-helixtrans-58.1-50174.2-67.5167.2000110.2A199 V206 F209 L252 A258 Q259 G260A199-I256 HydrophobicContact CB-CD1 4.19Å; A199-I256 HydrophobicContact CB-CG1 4Å; V206-I256 HydrophobicContact CG2-CG2 4.21Å; F209-I256 HydrophobicContact CZ-CG1 3.78Å; L252-I256 HydrophobicContact CD1-CD1 4.19Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 3.32Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 2.85Å; I256-Q259 PolarHBondContact O-N 3.43Å; I256-G260 PolarHBondContact O-N 2.97Å
257A88.3Confident81.8Confident57 Ų5761.6 Ų61.647%0.47134%0.336SS..Hα-helixtrans-62.1-38.4177.200000112.6A253 L255 M261A253-A257 WeakPolarHBondContact O-CB 3.5Å; A253-A257 PolarHBondContact O-N 3.5Å; L255-A257 PolarHBondContact O-N 3.4Å; A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 3.01Å
258A86.4Confident79.8Confident9 Ų960.6 Ų60.67%0.07434%0.335CS..Hα-helixtrans-67.8-45.6177.900000112.3L138 M148 A254 L255 I256 G260 M261 I262L138-A258 HydrophobicContact CD1-CB 4.34Å; M148-A258 HydrophobicContact CE-CB 3.62Å; M148-A258 HydrophobicContact SD-CB 4.3Å; A254-A258 WeakPolarHBondContact O-CB 3.19Å; A254-A258 PolarHBondContact O-N 2.98Å; L255-A258 PolarHBondContact O-N 3.06Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 2.85Å; A258-G260 VanDerWaalsContact C-N 3.33Å; A258-G260 PolarHBondContact O-N 2.93Å; A258-M261 WeakPolarHBondContact O-CB 3.36Å; A258-M261 PolarHBondContact O-N 3.44Å; A258-I262 VanDerWaalsContact O-CG1 3.25Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.35Å
259Q85.4Confident77.6Confident48 Ų4869.5 Ų69.522%0.22438%0.382CS..Hα-helixtrans-64.7-37.9175.2-66.8-172.721.800111.7V206 F209 L255 I256 M261 I262 L263V206-Q259 HydrophobicContact CB-CB 4.39Å; V206-Q259 HydrophobicContact CG1-CB 3.63Å; F209-Q259 VanDerWaalsContact CD1-NE2 3.29Å; L255-Q259 WeakPolarHBondContact O-CG 3.31Å; L255-Q259 PolarHBondContact O-N 2.75Å; I256-Q259 PolarHBondContact O-N 3.43Å; Q259-M261 VanDerWaalsContact C-N 3.34Å; Q259-M261 PolarHBondContact O-N 3.4Å; Q259-I262 PolarHBondContact O-N 3.2Å; Q259-I262 VanDerWaalsContact O-N 3.1Å; Q259-L263 WeakPolarHBondContact O-CG 3.42Å; Q259-L263 PolarHBondContact O-N 3.36Å
260G81.9Confident75.5Confident31 Ų3167.3 Ų67.332%0.3238%0.383SS..Hα-helixtrans-58.2-41.6171.100000113.2I256 A258 S264I256-G260 PolarHBondContact O-N 2.97Å; A258-G260 VanDerWaalsContact C-N 3.33Å; A258-G260 PolarHBondContact O-N 2.93Å; G260-S264 WeakPolarHBondContact O-CB 3.23Å; G260-S264 PolarHBondContact O-N 2.72Å; G260-S264 PolarHBondContact O-OG 3.23Å
261M80.3Confident73.2Confident88 Ų8869.7 Ų69.743%0.43340%0.397SS..Hα-helixtrans-64.2-40.6171.3-74.4-172.5-69.700112.4L138 A257 A258 Q259 S264 N265L138-M261 HydrophobicContact CD2-CE 3.94Å; A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 3.01Å; A258-M261 WeakPolarHBondContact O-CB 3.36Å; A258-M261 PolarHBondContact O-N 3.44Å; Q259-M261 VanDerWaalsContact C-N 3.34Å; Q259-M261 PolarHBondContact O-N 3.4Å; M261-S264 WeakPolarHBondContact CA-OG 3.41Å; M261-S264 PolarHBondContact O-OG 2.71Å; M261-S264 VanDerWaalsContact O-OG 3.12Å; M261-N265 VanDerWaalsContact O-CB 3.22Å; M261-N265 WeakPolarHBondContact O-CB 3.38Å; M261-N265 PolarHBondContact O-N 2.9Å
262I81.2Confident71.1Confident28 Ų2875.6 Ų75.614%0.14443%0.425CS..Hα-helixtrans-66.8-43.1-179.1-66.8164.7000111.4L138 M148 A258 Q259 R266L138-I262 HydrophobicContact CG-CG1 4.47Å; M148-I262 HydrophobicContact CE-CD1 3.41Å; M148-I262 VanDerWaalsContact CE-CD1 3.41Å; A258-I262 VanDerWaalsContact O-CG1 3.25Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.35Å; Q259-I262 PolarHBondContact O-N 3.2Å; Q259-I262 VanDerWaalsContact O-N 3.1Å; I262-R266 PolarHBondContact O-N 3.25Å
263L74.9Confident69.2Low72 Ų7279.1 Ų79.138%0.37745%0.448SS..Hα-helixtrans-68.8-39.9177.6-68.3178.6000112.3P205 V206 Q259 R266P205-L263 HydrophobicContact CB-CD1 4.34Å; P205-L263 HydrophobicContact CG-CD1 3.81Å; V206-L263 HydrophobicContact CG1-CD1 3.51Å; Q259-L263 WeakPolarHBondContact O-CG 3.42Å; Q259-L263 PolarHBondContact O-N 3.36Å; L263-R266 PolarHBondContact O-N 2.96Å
264S66.8Low67.7Low65 Ų6581 Ų8146%0.45545%0.45SS..Hα-helixtrans-71.1-36.617753.40000112.8G260 M261 R266 K267 G268G260-S264 WeakPolarHBondContact O-CB 3.23Å; G260-S264 PolarHBondContact O-N 2.72Å; G260-S264 PolarHBondContact O-OG 3.23Å; M261-S264 WeakPolarHBondContact CA-OG 3.41Å; M261-S264 PolarHBondContact O-OG 2.71Å; M261-S264 VanDerWaalsContact O-OG 3.12Å; S264-R266 PolarHBondContact O-N 3.16Å; S264-K267 PolarHBondContact O-N 2.78Å; S264-G268 PolarHBondContact O-N 3.28Å
265N61Low66.2Low124 Ų12485 Ų8566%0.66347%0.466SS*.Hα-helixtrans-63.2-26.1175.7-158.918.7000112.3M261M261-N265 VanDerWaalsContact O-CB 3.22Å; M261-N265 WeakPolarHBondContact O-CB 3.38Å; M261-N265 PolarHBondContact O-N 2.9Å
266R54.5Low64.6Low184 Ų18486.9 Ų86.969%0.69448%0.484SS*.THydrogen-bonded Turntrans-75.9-18.5170.6-70.8-173.2-179-162.63.1114.6I262 L263 S264I262-R266 PolarHBondContact O-N 3.25Å; L263-R266 PolarHBondContact O-N 2.96Å; S264-R266 PolarHBondContact O-N 3.16Å
267K49.3Very low63.2Low127 Ų12792.1 Ų92.155%0.55251%0.508SS*.THydrogen-bonded Turntrans-97.7-17.2178.4-65.3-171.9173.3-151.10113.4S264 E272S264-K267 PolarHBondContact O-N 2.78Å; K267-E272 HydrophobicContact CD-CG 4.37Å; K267-E272 WeakPolarHBondContact CD-OE2 3.45Å; K267-E272 VanDerWaalsContact CE-OE2 3.28Å; K267-E272 WeakPolarHBondContact CE-OE2 3.46Å; K267-E272 IonicContact NZ-OE2 2.6Å; K267-E272 PolarHBondContact NZ-OE2 2.8Å
268G49.4Very low61.8Low41 Ų4191.5 Ų91.542%0.42350%0.496SS..  trans82.4174.3-177.200000112.9S264 L270S264-G268 PolarHBondContact O-N 3.28Å; G268-L270 PolarHBondContact O-N 3.33Å
269L43.1Very low60.6Low187 Ų18796.1 Ų96.198%0.97952%0.519SS*.SBendtrans-75.918.8-171.7-63.4173.1000114.9
270L47.4Very low59.3Low136 Ų13698.6 Ų98.671%0.71254%0.538SS*.SBendtrans-126.2138.1172.6-120.775.9000108.4G268 E272G268-L270 PolarHBondContact O-N 3.33Å; L270-E272 PolarHBondContact O-N 2.78Å
271P44.4Very low58Low112 Ų11298.7 Ų98.773%0.72753%0.534SS*.  trans-54.4135.8161.8-20.632.5000109.2P273P271-P273 WeakPolarHBondContact O-CD 3.39Å; P271-P273 VanDerWaalsContact O-N 3.13Å
272E48Very low56.7Low126 Ų12698.3 Ų98.359%0.58953%0.532SS*.  trans-57.2119.3171.8-69.5173.512400108K267 L270 N274K267-E272 HydrophobicContact CD-CG 4.37Å; K267-E272 WeakPolarHBondContact CD-OE2 3.45Å; K267-E272 VanDerWaalsContact CE-OE2 3.28Å; K267-E272 WeakPolarHBondContact CE-OE2 3.46Å; K267-E272 IonicContact NZ-OE2 2.6Å; K267-E272 PolarHBondContact NZ-OE2 2.8Å; L270-E272 PolarHBondContact O-N 2.78Å; E272-N274 PolarHBondContact O-N 2.85Å
273P51.7Low55.6Low83 Ų83102.7 Ų102.754%0.53956%0.56SS.*  trans-68.4108.8-17326.2-33.2000108.7P271 L275P271-P273 WeakPolarHBondContact O-CD 3.39Å; P271-P273 VanDerWaalsContact O-N 3.13Å; P273-L275 PolarHBondContact O-N 2.87Å; P273-L275 VanDerWaalsContact O-N 3.12Å
274N59.3Low54.9Low98 Ų98103.1 Ų103.152%0.52456%0.563SS.*  trans-47.2123173.1177.4-20.4000108.4E272 A276 Q277 L278E272-N274 PolarHBondContact O-N 2.85Å; N274-A276 PolarHBondContact O-N 3.48Å; N274-A276 VanDerWaalsContact O-N 3.07Å; N274-A276 WeakPolarHBondContact OD1-CB 3.08Å; N274-A276 PolarHBondContact OD1-N 3.13Å; N274-Q277 HydrophobicContact CB-CB 4.43Å; N274-Q277 HydrophobicContact CB-CG 4.48Å; N274-Q277 CarbonylContact O-C 3.49Å; N274-Q277 WeakPolarHBondContact O-CA 3.38Å; N274-Q277 WeakPolarHBondContact O-CB 3.27Å; N274-Q277 PolarHBondContact O-N 3.18Å; N274-L278 PolarHBondContact O-N 2.71Å
275L58.5Low54.5Low120 Ų120104.7 Ų104.763%0.62857%0.571SS**Hα-helixtrans-55.9-31.5-173.3-72.3168.4000112.2P273 L278 L279P273-L275 PolarHBondContact O-N 2.87Å; P273-L275 VanDerWaalsContact O-N 3.12Å; L275-L278 HydrophobicContact CD2-CD2 4.44Å; L275-L278 PolarHBondContact O-N 3.39Å; L275-L279 WeakPolarHBondContact O-CB 3.44Å; L275-L279 VanDerWaalsContact O-CG 3.26Å; L275-L279 WeakPolarHBondContact O-CG 3.31Å; L275-L279 PolarHBondContact O-N 2.73Å
276A56.6Low54.4Low57 Ų57101.5 Ų101.547%0.47156%0.562SS.*Hα-helixtrans-63-4517200000112.1N274 L279 T280N274-A276 PolarHBondContact O-N 3.48Å; N274-A276 VanDerWaalsContact O-N 3.07Å; N274-A276 WeakPolarHBondContact OD1-CB 3.08Å; N274-A276 PolarHBondContact OD1-N 3.13Å; A276-L279 PolarHBondContact O-N 2.79Å; A276-T280 WeakPolarHBondContact O-CB 3.2Å; A276-T280 PolarHBondContact O-N 3.24Å; A276-T280 PolarHBondContact O-OG1 3.31Å
277Q57.9Low54.6Low141 Ų14193.9 Ų93.966%0.65954%0.539SS*.Hα-helixtrans-69.6-33.4175.3-72.4-169.4-18.900112.7N274 T280 S281N274-Q277 HydrophobicContact CB-CB 4.43Å; N274-Q277 HydrophobicContact CB-CG 4.48Å; N274-Q277 CarbonylContact O-C 3.49Å; N274-Q277 WeakPolarHBondContact O-CA 3.38Å; N274-Q277 WeakPolarHBondContact O-CB 3.27Å; N274-Q277 PolarHBondContact O-N 3.18Å; Q277-T280 PolarHBondContact O-N 2.55Å; Q277-S281 WeakPolarHBondContact O-CB 3.35Å; Q277-S281 PolarHBondContact O-N 3.18Å
278L59.3Low54.9Low44 Ų4491 Ų9123%0.2353%0.529CS..Hα-helixtrans-63.5-45.7173.6-169.972.2000110.6N274 L275 S281 M282N274-L278 PolarHBondContact O-N 2.71Å; L275-L278 HydrophobicContact CD2-CD2 4.44Å; L275-L278 PolarHBondContact O-N 3.39Å; L278-S281 WeakPolarHBondContact O-CB 3.48Å; L278-S281 PolarHBondContact O-N 2.69Å; L278-S281 PolarHBondContact O-OG 2.66Å; L278-M282 WeakPolarHBondContact O-CG 3.36Å; L278-M282 PolarHBondContact O-N 3.3Å
279L60.7Low55.3Low106 Ų10695.8 Ų95.856%0.55554%0.54SS*.Hα-helixtrans-63.5-44.1175.3-72166.2000112L275 A276 S281 M282 T283L275-L279 WeakPolarHBondContact O-CB 3.44Å; L275-L279 VanDerWaalsContact O-CG 3.26Å; L275-L279 WeakPolarHBondContact O-CG 3.31Å; L275-L279 PolarHBondContact O-N 2.73Å; A276-L279 PolarHBondContact O-N 2.79Å; L279-S281 VanDerWaalsContact C-N 3.25Å; L279-S281 PolarHBondContact O-N 2.62Å; L279-M282 WeakPolarHBondContact O-CB 3.46Å; L279-M282 PolarHBondContact O-N 2.66Å; L279-M282 VanDerWaalsContact O-N 3.12Å; L279-T283 PolarHBondContact O-N 2.99Å; L279-T283 PolarHBondContact O-OG1 3.35Å
280T58.8Low56Low100 Ų10092.6 Ų92.661%0.61352%0.523SS*.Hα-helixtrans-62-32.7172.8-58.40000112.1A276 Q277 T283A276-T280 WeakPolarHBondContact O-CB 3.2Å; A276-T280 PolarHBondContact O-N 3.24Å; A276-T280 PolarHBondContact O-OG1 3.31Å; Q277-T280 PolarHBondContact O-N 2.55Å; T280-T283 WeakPolarHBondContact O-CB 3.45Å; T280-T283 PolarHBondContact O-N 3.11Å
281S55.4Low56.3Low34 Ų3489.3 Ų89.324%0.23851%0.506CS..Hα-helixtrans-71.2-31.4174.983.10000112.7Q277 L278 L279 T283 N284 A287Q277-S281 WeakPolarHBondContact O-CB 3.35Å; Q277-S281 PolarHBondContact O-N 3.18Å; L278-S281 WeakPolarHBondContact O-CB 3.48Å; L278-S281 PolarHBondContact O-N 2.69Å; L278-S281 PolarHBondContact O-OG 2.66Å; L279-S281 VanDerWaalsContact C-N 3.25Å; L279-S281 PolarHBondContact O-N 2.62Å; S281-T283 PolarHBondContact O-N 3.29Å; S281-N284 WeakPolarHBondContact O-CB 3.43Å; S281-N284 PolarHBondContact O-N 3.41Å; S281-A287 WeakPolarHBondContact O-CB 3.4Å
282M51.9Low56.4Low79 Ų7989.3 Ų89.339%0.38950%0.497SS..Hα-helixtrans-65.5-25.3172.4-68.8-82.1-72.600112.5L278 L279 N284 L288L278-M282 WeakPolarHBondContact O-CG 3.36Å; L278-M282 PolarHBondContact O-N 3.3Å; L279-M282 WeakPolarHBondContact O-CB 3.46Å; L279-M282 PolarHBondContact O-N 2.66Å; L279-M282 VanDerWaalsContact O-N 3.12Å; M282-N284 VanDerWaalsContact C-N 3.26Å; M282-N284 PolarHBondContact O-N 2.67Å; M282-L288 HydrophobicContact CE-CD2 4.3Å; M282-L288 VanDerWaalsContact O-CD1 3.28Å; M282-L288 WeakPolarHBondContact O-CD1 3.44Å; M282-L288 HydrophobicContact SD-CD2 3.81Å; M282-L288 HydrophobicContact SD-CG 4.49Å
283T58.3Low56.4Low120 Ų12092.7 Ų92.774%0.73651%0.505SS*.THydrogen-bonded Turntrans-72.7-17.2170.9-46.80000112.6L279 T280 S281L279-T283 PolarHBondContact O-N 2.99Å; L279-T283 PolarHBondContact O-OG1 3.35Å; T280-T283 WeakPolarHBondContact O-CB 3.45Å; T280-T283 PolarHBondContact O-N 3.11Å; S281-T283 PolarHBondContact O-N 3.29Å
284N61.1Low55.8Low82 Ų8294.3 Ų94.344%0.43952%0.515SS..SBendtrans-94.3114.1179.1-172.9-31000111.1S281 M282 A286 A287 L288S281-N284 WeakPolarHBondContact O-CB 3.43Å; S281-N284 PolarHBondContact O-N 3.41Å; M282-N284 VanDerWaalsContact C-N 3.26Å; M282-N284 PolarHBondContact O-N 2.67Å; N284-A286 PolarHBondContact O-N 3.24Å; N284-A286 VanDerWaalsContact O-N 3.13Å; N284-A286 WeakPolarHBondContact OD1-CB 3.19Å; N284-A286 PolarHBondContact OD1-N 3.04Å; N284-A287 HydrophobicContact CB-CB 4.27Å; N284-A287 PolarHBondContact O-N 3.19Å; N284-L288 PolarHBondContact O-N 3.16Å
285P58.4Low54.7Low97 Ų97100.1 Ų100.163%0.6353%0.531SS*.Hα-helixtrans-63.1-24.2-176.325.5-34.5000113.6Q289P285-Q289 VanDerWaalsContact O-CG 3.26Å; P285-Q289 WeakPolarHBondContact O-CG 3.48Å; P285-Q289 PolarHBondContact O-N 3.25Å
286A58Low54Low58 Ų58103.5 Ų103.548%0.47954%0.544SS..Hα-helixtrans-73.9-34.217600000112.6N284 Q289 I290N284-A286 PolarHBondContact O-N 3.24Å; N284-A286 VanDerWaalsContact O-N 3.13Å; N284-A286 WeakPolarHBondContact OD1-CB 3.19Å; N284-A286 PolarHBondContact OD1-N 3.04Å; A286-Q289 PolarHBondContact O-N 3.35Å; A286-I290 WeakPolarHBondContact O-CG1 3.41Å; A286-I290 PolarHBondContact O-N 3.3Å
287A59.1Low53.1Low24 Ų24103.7 Ų103.720%0.19855%0.551CS.*Hα-helixtrans-73-38.2176.800000111.5S281 N284 Q289 I290 L291S281-A287 WeakPolarHBondContact O-CB 3.4Å; N284-A287 HydrophobicContact CB-CB 4.27Å; N284-A287 PolarHBondContact O-N 3.19Å; A287-Q289 VanDerWaalsContact C-N 3.34Å; A287-Q289 PolarHBondContact O-N 3.17Å; A287-I290 PolarHBondContact O-N 3.35Å; A287-I290 VanDerWaalsContact O-N 3.12Å; A287-L291 PolarHBondContact O-N 2.93Å
288L56.4Low51.9Low66 Ų66100.7 Ų100.735%0.34656%0.558SS.*Hα-helixtrans-56-45.7169.2-90.1168.5000112.2M282 N284 I290 L291 M292M282-L288 HydrophobicContact CE-CD2 4.3Å; M282-L288 VanDerWaalsContact O-CD1 3.28Å; M282-L288 WeakPolarHBondContact O-CD1 3.44Å; M282-L288 HydrophobicContact SD-CD2 3.81Å; M282-L288 HydrophobicContact SD-CG 4.49Å; N284-L288 PolarHBondContact O-N 3.16Å; L288-I290 PolarHBondContact O-N 3.42Å; L288-L291 PolarHBondContact O-N 3.06Å; L288-M292 VanDerWaalsContact O-CB 3.28Å; L288-M292 WeakPolarHBondContact O-CB 3.2Å; L288-M292 VanDerWaalsContact O-CG 3.3Å; L288-M292 WeakPolarHBondContact O-CG 3.48Å; L288-M292 PolarHBondContact O-N 2.84Å
289Q56Low50.9Low141 Ų141108.6 Ų108.666%0.65959%0.591SS**Hα-helixtrans-61.2-30.3176.1-72.5-77.91.200113.4P285 A286 A287P285-Q289 VanDerWaalsContact O-CG 3.26Å; P285-Q289 WeakPolarHBondContact O-CG 3.48Å; P285-Q289 PolarHBondContact O-N 3.25Å; A286-Q289 PolarHBondContact O-N 3.35Å; A287-Q289 VanDerWaalsContact C-N 3.34Å; A287-Q289 PolarHBondContact O-N 3.17Å
290I58.4Low49.8Very low120 Ų120115.3 Ų115.362%0.61561%0.609SS**Hα-helixtrans-77.4-42176.3-67.4164.8000111A286 A287 L288 M292 R293A286-I290 WeakPolarHBondContact O-CG1 3.41Å; A286-I290 PolarHBondContact O-N 3.3Å; A287-I290 PolarHBondContact O-N 3.35Å; A287-I290 VanDerWaalsContact O-N 3.12Å; L288-I290 PolarHBondContact O-N 3.42Å; I290-M292 VanDerWaalsContact C-N 3.35Å; I290-R293 WeakPolarHBondContact O-CB 3.3Å; I290-R293 PolarHBondContact O-N 2.76Å
291L54.8Low48.8Very low67 Ų67114.9 Ų114.935%0.35162%0.624SS.*Hα-helixtrans-68.8-31.2177.1-71.5169000113A287 L288A287-L291 PolarHBondContact O-N 2.93Å; L288-L291 PolarHBondContact O-N 3.06Å
292M45.3Very low47.8Very low112 Ų112116.8 Ų116.855%0.55265%0.649SS**THydrogen-bonded Turntrans-83.5-4.5178.2-73.8-60.1-5500114.5L288 I290 P294 L313L288-M292 VanDerWaalsContact O-CB 3.28Å; L288-M292 WeakPolarHBondContact O-CB 3.2Å; L288-M292 VanDerWaalsContact O-CG 3.3Å; L288-M292 WeakPolarHBondContact O-CG 3.48Å; L288-M292 PolarHBondContact O-N 2.84Å; I290-M292 VanDerWaalsContact C-N 3.35Å; M292-P294 VanDerWaalsContact O-CD 3.31Å; M292-P294 WeakPolarHBondContact O-CD 3.44Å; M292-L313 HydrophobicContact SD-CD2 3.92Å
293R47.6Very low47.5Very low198 Ų198122.6 Ų122.675%0.74767%0.672SS**  trans-73.4118.6-168.5-135.7176.5-164.9174.45.7112I290 Y295I290-R293 WeakPolarHBondContact O-CB 3.3Å; I290-R293 PolarHBondContact O-N 2.76Å; R293-Y295 PolarHBondContact O-N 3.08Å
294P40.5Very low46.3Very low116 Ų116128.4 Ų128.475%0.75368%0.682SS**  trans-66.6131179.5-20.933.7000111.9M292 Q296M292-P294 VanDerWaalsContact O-CD 3.31Å; M292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-Q296 PolarHBondContact O-N 2.93Å
295Y36.4Very low45Very low220 Ų220128 Ų12886%0.86370%0.697SS**  trans-84.6111.9-179.9-156.1-88.1000110.9R293 G297R293-Y295 PolarHBondContact O-N 3.08Å; Y295-G297 PolarHBondContact O-N 3.28Å
296Q42.5Very low43.9Very low191 Ų191134.5 Ų134.589%0.89371%0.709SS**  trans-74.593.4171.8-74.3-177.2-20.200109.9P294 G298P294-Q296 PolarHBondContact O-N 2.93Å; Q296-G298 PolarHBondContact O-N 3.14Å
297G37.8Very low42.6Very low61 Ų61139.6 Ų139.663%0.62973%0.729SS**PPolyproline II helixtrans-63.8124.6-178.700000113.4Y295Y295-G297 PolarHBondContact O-N 3.28Å
298G33.6Very low41.6Very low78 Ų78143.6 Ų143.680%0.80476%0.761SS**PPolyproline II helixtrans-64.3136.7172.700000112.2Q296 R300Q296-G298 PolarHBondContact O-N 3.14Å; G298-R300 PolarHBondContact O-N 2.98Å
299K37.7Very low40.6Very low211 Ų211143.5 Ų143.592%0.91778%0.777SS**PPolyproline II helixtrans-71.5119.7-173.7-65176.4-179.5174.40112.5
300R38.4Very low39.9Very low246 Ų246144.2 Ų144.293%0.92878%0.784SS**  trans-116.1138.1143.7-83.3-168.1172.6-167.4-0.3108.7G298G298-R300 PolarHBondContact O-N 2.98Å
301G37.5Very low38.9Very low92 Ų92144.1 Ų144.195%0.94879%0.792SS**  trans-88127.4-171.300000113.4
302G33.3Very low38.2Very low73 Ų73150.4 Ų150.475%0.75382%0.816SS**  trans-143.5133.2162.900000108.5Y304G302-Y304 PolarHBondContact O-N 3.43Å
303K45.5Very low38.4Very low202 Ų202149 Ų14988%0.87881%0.81SS**  trans-89.2101.1-173.9-70.4-178.7179.4178.30111.6
304Y35.1Very low38.4Very low242 Ų242148.4 Ų148.495%0.94981%0.808SS**  trans-147.4158.5146.6-85-63.5000110.3G302G302-Y304 PolarHBondContact O-N 3.43Å
305G32.5Very low38.8Very low73 Ų73147.7 Ų147.775%0.75380%0.804SS**  trans-98.9135.2-157.500000116.4
306R34.9Very low39.6Very low234 Ų234141.5 Ų141.588%0.88379%0.791SS**  trans44.8110.4141-154.4-176.9-161-165.64.5118.6
307N30.8Very low39.8Very low165 Ų165134 Ų13488%0.88276%0.756SS**  -150.9157.8114-98.4-23.5000110.2
308A39.1Very low40.7Very low107 Ų107134.2 Ų134.288%0.88475%0.745SS**  trans-137.4128-175.600000110.7
309G35.9Very low41.6Very low65 Ų65132.9 Ų132.967%0.6773%0.727SS**  trans156.3147.8-179.500000111
310L39.6Very low42.3Very low155 Ų155124.6 Ų124.681%0.81270%0.698SS**  trans68.4128.8-178.8-51.2177.1000116.5F312L310-F312 PolarHBondContact O-N 3.16Å
311P37.5Very low43Very low119 Ų119117.6 Ų117.677%0.77368%0.678SS**  trans-77.2114.3163.731.4-30.4000109.7L313P311-L313 PolarHBondContact O-N 3.29Å
312F41Very low43.9Very low199 Ų199118.9 Ų118.987%0.87366%0.663SS**  trans-70.1111.1174.8-97.2-99.2000111.1L310L310-F312 PolarHBondContact O-N 3.16Å
313L49.2Very low44.9Very low81 Ų81120.1 Ų120.142%0.42466%0.656SS.*  trans-67.7150.1162.7-76.8167.6000110.3M292 P311 L317M292-L313 HydrophobicContact SD-CD2 3.92Å; P311-L313 PolarHBondContact O-N 3.29Å; L313-L317 HydrophobicContact CD2-CD1 4.33Å
314R48.1Very low45.1Very low186 Ų186114.6 Ų114.670%0.70264%0.635SS**  trans-62.7137.6-178.7-91.1-175.1168.8-177-3.2111.5P316 L317 T318R314-P316 HydrophobicContact CB-CG 4.18Å; R314-P316 VanDerWaalsContact O-N 3.16Å; R314-L317 WeakPolarHBondContact O-CB 3.22Å; R314-L317 PolarHBondContact O-N 3.06Å; R314-T318 PolarHBondContact O-N 3.11Å
315P48.7Very low45.6Very low102 Ų102105.4 Ų105.466%0.66261%0.614SS**Hα-helixtrans-45.2-44.3176.2-3035.1000116.4L317 T318 A319P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 3.37Å; P315-T318 PolarHBondContact O-N 3.39Å; P315-A319 WeakPolarHBondContact O-CB 3.45Å; P315-A319 PolarHBondContact O-N 3.24Å
316P52.2Low46.2Very low90 Ų90110.3 Ų110.358%0.58462%0.615SS**Hα-helixtrans-62.7-30.2175.821.4-34.7000114.7R314 A320R314-P316 HydrophobicContact CB-CG 4.18Å; R314-P316 VanDerWaalsContact O-N 3.16Å; P316-A320 VanDerWaalsContact O-CB 3.29Å; P316-A320 WeakPolarHBondContact O-CB 3Å; P316-A320 PolarHBondContact O-N 3.45Å
317L48.4Very low46.6Very low32 Ų32102.2 Ų102.217%0.16860%0.598CS.*Hα-helixtrans-71.4-42.6174.5-72.5172.1000110.9L313 R314 P315 A319 A320 L321L313-L317 HydrophobicContact CD2-CD1 4.33Å; R314-L317 WeakPolarHBondContact O-CB 3.22Å; R314-L317 PolarHBondContact O-N 3.06Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 3.37Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.91Å; L317-A320 PolarHBondContact O-N 3.4Å; L317-L321 WeakPolarHBondContact O-CB 3.3Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.19Å; L317-L321 PolarHBondContact O-N 3.07Å
318T55.1Low47.3Very low66 Ų6699.3 Ų99.341%0.40558%0.579SS.*Hα-helixtrans-61-43.5174.9-46.10000111.2R314 P315 L322R314-T318 PolarHBondContact O-N 3.11Å; P315-T318 PolarHBondContact O-N 3.39Å; T318-L322 HydrophobicContact CG2-CD1 4.06Å; T318-L322 WeakPolarHBondContact O-CB 3.47Å; T318-L322 VanDerWaalsContact O-CG 3.27Å; T318-L322 WeakPolarHBondContact O-CG 3.28Å; T318-L322 PolarHBondContact O-N 3.19Å
319A52.9Low47.5Very low51 Ų51102.5 Ų102.542%0.42158%0.576SS.*Hα-helixtrans-64-46175.800000112.3P315 L317 L321 L322 T323P315-A319 WeakPolarHBondContact O-CB 3.45Å; P315-A319 PolarHBondContact O-N 3.24Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.91Å; A319-L321 PolarHBondContact O-N 3.24Å; A319-L322 PolarHBondContact O-N 3.07Å; A319-T323 WeakPolarHBondContact O-CB 3.45Å; A319-T323 PolarHBondContact O-N 2.88Å; A319-T323 PolarHBondContact O-OG1 3.08Å
320A51.8Low48Very low37 Ų37107.1 Ų107.131%0.30659%0.585SS.*Hα-helixtrans-60.1-44.9178.200000112.3P316 L317 T323 L324P316-A320 VanDerWaalsContact O-CB 3.29Å; P316-A320 WeakPolarHBondContact O-CB 3Å; P316-A320 PolarHBondContact O-N 3.45Å; L317-A320 PolarHBondContact O-N 3.4Å; A320-T323 PolarHBondContact O-N 3.27Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 2.98Å
321L54.2Low48.1Very low98 Ų98102 Ų10251%0.51357%0.565SS.*Hα-helixtrans-68.1-38178.6-67.2171.3000112.5L317 A319 L324 G325L317-L321 WeakPolarHBondContact O-CB 3.3Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.19Å; L317-L321 PolarHBondContact O-N 3.07Å; A319-L321 PolarHBondContact O-N 3.24Å; L321-L324 PolarHBondContact O-N 2.89Å; L321-G325 PolarHBondContact O-N 3.13Å
322L55.1Low48.6Very low119 Ų119105 Ų10562%0.62357%0.571SS**Hα-helixtrans-66.2-39.2174.4-76.2168.8000112.5T318 A319 G325 K326T318-L322 HydrophobicContact CG2-CD1 4.06Å; T318-L322 WeakPolarHBondContact O-CB 3.47Å; T318-L322 VanDerWaalsContact O-CG 3.27Å; T318-L322 WeakPolarHBondContact O-CG 3.28Å; T318-L322 PolarHBondContact O-N 3.19Å; A319-L322 PolarHBondContact O-N 3.07Å; L322-G325 PolarHBondContact O-N 2.94Å; L322-K326 PolarHBondContact O-N 2.82Å
323T55.1Low49Very low99 Ų99102.7 Ų102.761%0.60757%0.573SS**Hα-helixtrans-67.2-42.5175.8-57.90000111.2A319 A320 G325 K326 A327A319-T323 WeakPolarHBondContact O-CB 3.45Å; A319-T323 PolarHBondContact O-N 2.88Å; A319-T323 PolarHBondContact O-OG1 3.08Å; A320-T323 PolarHBondContact O-N 3.27Å; T323-G325 VanDerWaalsContact C-N 3.32Å; T323-G325 PolarHBondContact O-N 2.65Å; T323-K326 PolarHBondContact O-N 2.96Å; T323-A327 PolarHBondContact O-N 2.8Å
324L49.9Very low48.7Very low86 Ų86101.5 Ų101.545%0.4558%0.581SS.*Hα-helixtrans-61.7-38.9174.6-174.263.5000112.1A320 L321 K326 A327 H328A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 2.98Å; L321-L324 PolarHBondContact O-N 2.89Å; L324-K326 VanDerWaalsContact C-N 3.3Å; L324-K326 PolarHBondContact O-N 2.84Å; L324-A327 PolarHBondContact O-N 3.36Å; L324-A327 VanDerWaalsContact O-N 3.16Å; L324-H328 PolarHBondContact O-N 2.89Å; L324-H328 VanDerWaalsContact O-N 3.13Å
325G45.9Very low48.7Very low49 Ų49100.2 Ų100.251%0.50559%0.587SS.*Hα-helixtrans-61.2-33.5174.900000113.9L321 L322 T323L321-G325 PolarHBondContact O-N 3.13Å; L322-G325 PolarHBondContact O-N 2.94Å; T323-G325 VanDerWaalsContact C-N 3.32Å; T323-G325 PolarHBondContact O-N 2.65Å
326K44.1Very low48.4Very low177 Ų17797.2 Ų97.277%0.7758%0.575SS**Hα-helixtrans-75-37.9171.2-76.1-171.5173.1-174.50112.7L322 T323 L324 H328L322-K326 PolarHBondContact O-N 2.82Å; T323-K326 PolarHBondContact O-N 2.96Å; L324-K326 VanDerWaalsContact C-N 3.3Å; L324-K326 PolarHBondContact O-N 2.84Å; K326-H328 VanDerWaalsContact C-N 3.33Å; K326-H328 PolarHBondContact O-N 3.08Å
327A44.3Very low48.3Very low64 Ų6499.1 Ų99.153%0.52958%0.58SS.*Hα-helixtrans-64.3-34.8-179.200000113.1T323 L324 Q329T323-A327 PolarHBondContact O-N 2.8Å; L324-A327 PolarHBondContact O-N 3.36Å; L324-A327 VanDerWaalsContact O-N 3.16Å; A327-Q329 PolarHBondContact O-N 2.94Å
328H44.7Very low48.6Very low103 Ų103103.3 Ų103.348%0.47761%0.606SS.*G310 helixtrans-77-16.6-173.6-165.839.9000115.1L324 K326 N330 A331L324-H328 PolarHBondContact O-N 2.89Å; L324-H328 VanDerWaalsContact O-N 3.13Å; K326-H328 VanDerWaalsContact C-N 3.33Å; K326-H328 PolarHBondContact O-N 3.08Å; H328-N330 PolarHBondContact O-N 2.97Å; H328-A331 PolarHBondContact CE1-O 2.86Å; H328-A331 PolarHBondContact ND1-O 3.07Å; H328-A331 PolarHBondContact O-N 2.8Å; H328-A331 VanDerWaalsContact O-N 3.12Å
329Q44.4Very low48.3Very low174 Ų174105.5 Ų105.581%0.81362%0.615SS**G310 helixtrans-62.8-23.5177.2-81.5-162.4-19.300113.7A327A327-Q329 PolarHBondContact O-N 2.94Å
330N45.1Very low48.1Very low162 Ų162109.4 Ų109.487%0.86663%0.625SS**G310 helixtrans-987.2177.8-71.6-0.9000113.7H328H328-N330 PolarHBondContact O-N 2.97Å
331A41.7Very low47.6Very low48 Ų48113 Ų11340%0.39764%0.639SS.*  trans-137.371.3-171.800000112.4H328H328-A331 PolarHBondContact CE1-O 2.86Å; H328-A331 PolarHBondContact ND1-O 3.07Å; H328-A331 PolarHBondContact O-N 2.8Å; H328-A331 VanDerWaalsContact O-N 3.12Å
332M49.1Very low47.5Very low183 Ų183113.3 Ų113.390%0.90164%0.641SS**  trans-66158157.5-86.5-165.416600110.7
333V49Very low47.3Very low149 Ų149113.6 Ų113.690%0.90364%0.642SS**SBendtrans79122.5-176.2-170.20000114.4
334G43.1Very low46.7Very low57 Ų57115 Ų11559%0.58864%0.641SS**SBendtrans98.4103.1169.800000115.9
335N47.6Very low46.3Very low158 Ų158116.4 Ų116.485%0.84565%0.647SS**  trans81.518.4165.3-55.7-26000120.5L337N335-L337 PolarHBondContact O-N 2.94Å; N335-L337 VanDerWaalsContact O-N 3.14Å
336G43Very low46.5Very low40 Ų40120.2 Ų120.241%0.41265%0.652SS.*Hα-helixtrans-61.5-19.3176.100000116.8V338 L339 Q340G336-V338 PolarHBondContact O-N 3.15Å; G336-L339 PolarHBondContact O-N 3.09Å; G336-Q340 WeakPolarHBondContact O-CB 3.41Å; G336-Q340 PolarHBondContact O-N 3.44Å
337L50.4Low46.8Very low129 Ų129115.4 Ų115.468%0.67563%0.634SS**Hα-helixtrans-64.1-35.2-170-68.5174.4000114.7N335 N341N335-L337 PolarHBondContact O-N 2.94Å; N335-L337 VanDerWaalsContact O-N 3.14Å; L337-N341 PolarHBondContact O-N 3.37Å; L337-N341 PolarHBondContact O-ND2 3.23Å
338V53.3Low46.9Very low120 Ų120115 Ų11573%0.72763%0.63SS**Hα-helixtrans-74.1-44.5-178.5-178.90000110.7G336 N341 L342G336-V338 PolarHBondContact O-N 3.15Å; V338-N341 PolarHBondContact O-N 3.27Å; V338-L342 PolarHBondContact O-N 3.42Å
339L49.4Very low47Very low113 Ų113116.1 Ų116.159%0.59264%0.636SS**Hα-helixtrans-65.8-39.8177.8-125.578.7000111.6G336 N341 L342 L343G336-L339 PolarHBondContact O-N 3.09Å; L339-N341 PolarHBondContact O-N 3.49Å; L339-L342 PolarHBondContact O-N 3.19Å; L339-L343 PolarHBondContact O-N 3.34Å
340Q48.3Very low47.3Very low132 Ų132114 Ų11462%0.61763%0.626SS**Hα-helixtrans-65.5-37.3179.7-171.6159.468.900112.3G336 L343 H344G336-Q340 WeakPolarHBondContact O-CB 3.41Å; G336-Q340 PolarHBondContact O-N 3.44Å; Q340-L343 PolarHBondContact O-N 3.48Å; Q340-H344 WeakPolarHBondContact O-CB 3.36Å; Q340-H344 PolarHBondContact O-N 3.4Å
341N42.3Very low47.3Very low113 Ų113112.7 Ų112.760%0.60462%0.615SS**Hα-helixtrans-64.3-41.1171.6-85.7-75.8000112.4L337 V338 L339 L343 H344 M345L337-N341 PolarHBondContact O-N 3.37Å; L337-N341 PolarHBondContact O-ND2 3.23Å; V338-N341 PolarHBondContact O-N 3.27Å; L339-N341 PolarHBondContact O-N 3.49Å; N341-L343 VanDerWaalsContact C-N 3.34Å; N341-L343 PolarHBondContact O-N 3.44Å; N341-H344 PolarHBondContact O-N 3.42Å; N341-M345 PolarHBondContact O-N 3.42Å
342L52.4Low47.4Very low105 Ų105117.1 Ų117.155%0.5563%0.631SS.*Hα-helixtrans-63.7-41.1177.5-158.374.7000111.6V338 L339 M345 Q346V338-L342 PolarHBondContact O-N 3.42Å; L339-L342 PolarHBondContact O-N 3.19Å; L342-M345 HydrophobicContact CD1-CE 4.08Å; L342-M345 PolarHBondContact O-N 3.4Å; L342-Q346 PolarHBondContact O-N 3.35Å
343L50Low47.2Very low124 Ų124115.3 Ų115.365%0.64962%0.624SS**Hα-helixtrans-68.3-37.3176-137.2168000111.8L339 Q340 N341 Q346 L347L339-L343 PolarHBondContact O-N 3.34Å; Q340-L343 PolarHBondContact O-N 3.48Å; N341-L343 VanDerWaalsContact C-N 3.34Å; N341-L343 PolarHBondContact O-N 3.44Å; L343-Q346 WeakPolarHBondContact O-CB 3.35Å; L343-Q346 PolarHBondContact O-N 3.49Å; L343-L347 WeakPolarHBondContact O-CB 3.4Å; L343-L347 PolarHBondContact O-N 3.02Å
344H41.9Very low46.9Very low129 Ų129116.4 Ų116.460%0.59762%0.619SS**Hα-helixtrans-63.6-41172.2-12382000112.2Q340 N341 L347 A348Q340-H344 WeakPolarHBondContact O-CB 3.36Å; Q340-H344 PolarHBondContact O-N 3.4Å; N341-H344 PolarHBondContact O-N 3.42Å; H344-L347 PolarHBondContact O-N 3.29Å; H344-A348 WeakPolarHBondContact O-CB 3.39Å; H344-A348 PolarHBondContact O-N 3.17Å
345M43.4Very low47.1Very low115 Ų115120.6 Ų120.657%0.56763%0.626SS**Hα-helixtrans-66.6-38.4176.6-169.5176.970.400112N341 L342 A348 Q349N341-M345 PolarHBondContact O-N 3.42Å; L342-M345 HydrophobicContact CD1-CE 4.08Å; L342-M345 PolarHBondContact O-N 3.4Å; M345-A348 PolarHBondContact O-N 3.15Å; M345-Q349 PolarHBondContact O-N 3.12Å
346Q48.7Very low46.4Very low129 Ų129121.9 Ų121.960%0.60362%0.624SS**Hα-helixtrans-60.4-43.9172.2-164.587.527.600111.3L342 L343 Q350L342-Q346 PolarHBondContact O-N 3.35Å; L343-Q346 WeakPolarHBondContact O-CB 3.35Å; L343-Q346 PolarHBondContact O-N 3.49Å; Q346-Q350 PolarHBondContact O-N 2.87Å; Q346-Q350 VanDerWaalsContact O-N 3.12Å
347L51.4Low46Very low77 Ų77127.2 Ų127.240%0.40364%0.644SS.*Hα-helixtrans-69.4-39.3178.6-171.964.2000112.2L343 H344 Q350 Q351L343-L347 WeakPolarHBondContact O-CB 3.4Å; L343-L347 PolarHBondContact O-N 3.02Å; H344-L347 PolarHBondContact O-N 3.29Å; L347-Q350 WeakPolarHBondContact O-CB 3.17Å; L347-Q350 PolarHBondContact O-N 3.19Å; L347-Q350 VanDerWaalsContact O-N 3.14Å; L347-Q351 PolarHBondContact O-N 3.29Å
348A45.4Very low45.2Very low54 Ų54129.4 Ų129.445%0.44665%0.648SS.*Hα-helixtrans-63.4-41.417500000112H344 M345 Q350 Q351 L352H344-A348 WeakPolarHBondContact O-CB 3.39Å; H344-A348 PolarHBondContact O-N 3.17Å; M345-A348 PolarHBondContact O-N 3.15Å; A348-Q350 VanDerWaalsContact C-N 3.29Å; A348-Q350 PolarHBondContact O-N 3.41Å; A348-Q351 PolarHBondContact O-N 3.47Å; A348-L352 PolarHBondContact O-N 3.13Å
349Q46.7Very low44.1Very low127 Ų127133.6 Ų133.659%0.59365%0.65SS**Hα-helixtrans-62.3-36.2171.3-79.5-167.5-20.400112.5M345 L352M345-Q349 PolarHBondContact O-N 3.12Å; Q349-L352 PolarHBondContact O-N 3.39Å
350Q51.1Low43.1Very low131 Ų131134.7 Ų134.761%0.61266%0.656SS**Hα-helixtrans-69.8-37.9178.1-169163.991.700112.4Q346 L347 A348 L353Q346-Q350 PolarHBondContact O-N 2.87Å; Q346-Q350 VanDerWaalsContact O-N 3.12Å; L347-Q350 WeakPolarHBondContact O-CB 3.17Å; L347-Q350 PolarHBondContact O-N 3.19Å; L347-Q350 VanDerWaalsContact O-N 3.14Å; A348-Q350 VanDerWaalsContact C-N 3.29Å; A348-Q350 PolarHBondContact O-N 3.41Å; Q350-L353 PolarHBondContact O-N 3.26Å
351Q44.6Very low42Very low134 Ų134133.4 Ų133.463%0.62666%0.661SS**Hα-helixtrans-69.2-32.4174.3-71-179.6-9.100112.7L347 A348 L353 H354L347-Q351 PolarHBondContact O-N 3.29Å; A348-Q351 PolarHBondContact O-N 3.47Å; Q351-L353 PolarHBondContact O-N 3.49Å; Q351-H354 PolarHBondContact O-N 2.86Å
352L44.5Very low41.1Very low140 Ų140132.6 Ų132.673%0.73366%0.664SS**Hα-helixtrans-69.1-16.9179.3-151.472.2000113.7A348 Q349 H354A348-L352 PolarHBondContact O-N 3.13Å; Q349-L352 PolarHBondContact O-N 3.39Å; L352-H354 VanDerWaalsContact C-N 3.33Å
353L45.1Very low39.9Very low145 Ų145133.7 Ų133.776%0.75968%0.675SS**THydrogen-bonded Turntrans-79.6-8.1177.9-78165.7000114.5Q350 Q351Q350-L353 PolarHBondContact O-N 3.26Å; Q351-L353 PolarHBondContact O-N 3.49Å
354H41.6Very low38.8Very low172 Ų172133.6 Ų133.680%0.79668%0.68SS**THydrogen-bonded Turntrans-96.39.2-175.8-86.5-149000114.8Q351 L352Q351-H354 PolarHBondContact O-N 2.86Å; L352-H354 VanDerWaalsContact C-N 3.33Å
355I47.8Very low38.1Very low145 Ų145132.7 Ų132.774%0.74469%0.688SS**SBendtrans-114.8122.8179.5-64.9-178.7000111.6
356K33.1Very low37.5Very low185 Ų185134.2 Ų134.280%0.80470%0.697SS**  trans78.462.3167.1-156.7179.1176.3179.30117.4
357D35.3Very low36.6Very low153 Ų153135.7 Ų135.782%0.81871%0.709SS**  trans-69.7119.9137.6-171.5-17.9000108.8
358K32.5Very low35.4Very low175 Ų175135.4 Ų135.476%0.76172%0.724SS**  trans-173.1109156.5-107.3158.9-175.5174.60112.9
359R30.3Very low34.5Very low208 Ų208140.1 Ų140.179%0.78574%0.742SS**  trans80.5114141-54.8-80.3-84.5-149.7-2.9120.4
360I28.6Very low34.4Very low136 Ų136139.2 Ų139.270%0.69775%0.747SS**  85.8103.5129.1-63.2172.7000120.1
361S24.8Very low33.5Very low104 Ų104138 Ų13873%0.72775%0.753SS**  78149.1126.4-162.90000124.7
362S24.9Very low32.9Very low97 Ų97142.5 Ų142.568%0.67876%0.764SS**  trans82.595.7144.723.10000123.3
363V25.9Very low32.3Very low128 Ų128142.6 Ų142.678%0.77677%0.765SS**  trans36.4124.1130.2-118.70000123.7
364T26.9Very low31.8Very low122 Ų122143.9 Ų143.975%0.74877%0.771SS**  trans64.4155.5140.837.10000123.3
365S27.7Very low31.3Very low109 Ų109143.9 Ų143.976%0.76277%0.774SS**  trans74.5154.8154.4-710000118
366L30.2Very low30.4Very low147 Ų147146.2 Ų146.277%0.7778%0.782SS**  cis-169.4146.2-24.3-172.4100.7000107.2
367L30.1Very low30.1Very low161 Ų161146.5 Ų146.584%0.84378%0.783SS**  trans52.1132.5153.1-171.371.6000120.4
368G26Very low29.8Very low70 Ų70143.2 Ų143.272%0.72278%0.777SS**  trans146.487.7153.500000118.6
369D27.7Very low29.5Very low153 Ų153142.4 Ų142.482%0.81878%0.78SS**  trans-74.8-178.7160.9-61.3-77.8000112.1
370P44.1Very low29.2Very low109 Ų109137.6 Ų137.671%0.70878%0.778SS**  cis-135.2171.2-4937-21.4000114.4
371S31.9Very low29.2Very low106 Ų106139.4 Ų139.474%0.74179%0.788SS**  trans25.6127148.666.20000122.3
372R32.2Very low29.3Very low227 Ų227145.2 Ų145.286%0.85780%0.795SS**  trans-147.1135.6139.8-85.5-150.7176.7-141-0.2114.7
373L31.3Very low30.6Very low142 Ų142145.2 Ų145.274%0.74379%0.792SS**  trans40.9115.3141.6-56.6175000120.6
374L35Very low31.7Very low172 Ų172145 Ų14590%0.90179%0.793SS**  -149.5146.2115.9-124.2165.8000110.2
375M30.8Very low31.6Very low172 Ų172142.6 Ų142.685%0.84779%0.793SS**  trans-142.2127.2-171.4176.1-167-171.500109
376Q29.5Very low31.7Very low195 Ų195145.9 Ų145.991%0.91180%0.801SS**  trans-154.4150.2161.4-146168.48.700112
377K27.5Very low31.8Very low191 Ų191146 Ų14683%0.8380%0.802SS**  trans-154.7127.6-173.2176.6-178.9178.1-179.30110.9
378A26.9Very low32.6Very low84 Ų84143.4 Ų143.469%0.69480%0.795SS**  trans61.4143.3167.800000116.6
379L26.9Very low32.9Very low157 Ų157148.3 Ų148.382%0.82280%0.803SS**  -168.9166.863.6-89.2167.9000112.6
380S23.7Very low32.8Very low107 Ų107144.3 Ų144.375%0.74880%0.799SS**  trans74.9151.8163.2-38.90000116.4
381L30.1Very low32.5Very low174 Ų174149.8 Ų149.891%0.91181%0.811SS**  cis-130.5-172.66.8-88176.4000113.2
382R26.5Very low32.4Very low227 Ų227148.4 Ų148.486%0.85781%0.813SS**  trans-159.6171.8-165.7169.7-176.3171-180-0.7108.3
383P52.2Low32.3Very low96 Ų96145.5 Ų145.562%0.62381%0.814SS**  cis-122.3-136.5-34.739-18000109.8
384P48.2Very low32.2Very low124 Ų124146.6 Ų146.681%0.80582%0.82SS**  cis-136.7170.3-21.436.3-16.6000118.8
385G26.1Very low31.8Very low72 Ų72141.4 Ų141.474%0.74281%0.807SS**  trans127.2139.8153.400000114.5
386L29.5Very low31.5Very low177 Ų177140.6 Ų140.693%0.92781%0.807SS**  cis-154.2175.5-9.1-120.3171.6000110.3
387L31.8Very low31.7Very low151 Ų151136.8 Ų136.879%0.79180%0.801SS**  trans-118.9170.2-179.8-98.3174.5000109.2
388P47.4Very low32.4Very low106 Ų106133 Ų13369%0.68880%0.796SS**  -159.9178.453.544.6-22.3000120.6
389L31Very low32.5Very low172 Ų172134.4 Ų134.490%0.90180%0.797SS**  trans53155.6149.7-95.556.7000120.9
390G27.3Very low32.4Very low70 Ų70134.9 Ų134.972%0.72280%0.795SS**  cis-163.7-174400000112.7
391K37.3Very low32.5Very low224 Ų224137 Ų13797%0.97480%0.797SS**  trans-91.4157.6-169.8-61.5-179.9179.7-179.70114.7
392G28.3Very low32.2Very low76 Ų76135.5 Ų135.578%0.78479%0.789SS**  trans-145.1157.9161.700000111.4
393L31.2Very low32.2Very low167 Ų167131.7 Ų131.787%0.87478%0.781SS**  trans-148.8170.1-177.2-115.1169.1000109.7
394L28.4Very low30.7Very low165 Ų165134 Ų13486%0.86478%0.783SS**  trans69.8151.6-164.4-6581.1000113.4
395G27.9Very low29.6Very low62 Ų62132.5 Ų132.564%0.63978%0.776SS**  cis178.6160.4-6.500000112.7
396D24.9Very low29.8Very low156 Ų156135.5 Ų135.583%0.83478%0.779SS**  trans36.3133.6151.9-47.5-39.7000122.5
397S32.8Very low30.1Very low114 Ų114132.9 Ų132.980%0.79777%0.773SS**  trans-68.2165.7154-50.40000110.6
398P41.7Very low29.7Very low111 Ų111133 Ų13372%0.72177%0.774SS**  -157.6169.8106.338.5-19.1000118.8
399T28.5Very low28.6Very low115 Ų115132.3 Ų132.371%0.70677%0.772SS**  trans75.2136.8140.438.60000125.4
400E25Very low28.4Very low167 Ų167129.5 Ų129.578%0.7876%0.762SS**  trans72.2124.6143.8-68.1-178.5-17900119.5
401L26.5Very low28.5Very low151 Ų151135 Ų13579%0.79177%0.769SS**  cis101.2108.537.8-85.5-173000111.6
402L23.9Very low28Very low143 Ų143131 Ų13175%0.74976%0.758SS**  -176.8157.9123.6-122.371.8000114.2
403Q26.3Very low28.6Very low146 Ų146133 Ų13368%0.68276%0.757SS**  trans7.1153.3137.4-98.5139.7-30.600121.6
404E20.8Very low28.4Very low146 Ų146130.4 Ų130.468%0.68275%0.748SS**  cis-170.9174.9-9.5-137-17177.500112.6
405S24.6Very low28.4Very low92 Ų92129.2 Ų129.264%0.64375%0.748SS**  trans31.6156.3146.759.60000124.8
406V29.9Very low28.4Very low134 Ų134131.6 Ų131.681%0.81275%0.75SS**  trans-81.7154.6-177.6-152.60000111.1
407P36.8Very low28.5Very low123 Ų123130.1 Ų130.180%0.79975%0.746SS**  -146.5160.3114.637.5-22.6000118.2
408N23.7Very low28.3Very low153 Ų153130.1 Ų130.182%0.81875%0.746SS**  trans-25.6144.4163.7-110.5-4.4000121.3
409S24.8Very low27.7Very low92 Ų92129.3 Ų129.364%0.64375%0.748SS**  71.5120.6122.1-159.30000122.6
410T26.6Very low27.7Very low112 Ų112129.1 Ų129.169%0.68776%0.758SS**  trans63.3119.6138-54.60000120.4
411H27.9Very low27.8Very low186 Ų186124.8 Ų124.886%0.86176%0.759SS**  -164.5139120.9-112-78.9000114.2
412N28.2Very low28Very low141 Ų141124.2 Ų124.275%0.75476%0.761SS**  trans-84.3157.2167.2-95.4-24.5000109.7
413P40.9Very low28.5Very low116 Ų116125 Ų12575%0.75376%0.763SS**  -156.8148.271.640.3-18.5000121.3
414T27Very low29.4Very low114 Ų114123.2 Ų123.270%0.69976%0.764SS**  29122.8128.8-42.70000123.3V416T414-V416 HydrophobicContact CG2-CG2 4.15Å
415V27.4Very low29.7Very low140 Ų140125.9 Ų125.985%0.84877%0.769SS**  trans-144.794.5149.8177.70000109
416V27.7Very low30Very low112 Ų112128.2 Ų128.268%0.67977%0.774SS**  30.1141103.8-121.10000116.1T414T414-V416 HydrophobicContact CG2-CG2 4.15Å
417V27.7Very low29.9Very low125 Ų125130.7 Ų130.776%0.75878%0.776SS**  cis-154.4156.825.4-166.60000111.7
418S28.3Very low29.6Very low114 Ų114127.9 Ų127.980%0.79777%0.77SS**  trans120.4141.2148.6-54.80000116.3
419A28.9Very low29.9Very low93 Ų93133 Ų13377%0.76978%0.778SS**  cis-164.3148.6-20.600000111.6
420A29.6Very low30.2Very low111 Ų111131.8 Ų131.892%0.91778%0.779SS**  trans26.3146.2157.800000123.9
421G26Very low30.5Very low77 Ų77131.9 Ų131.979%0.79479%0.792SS**  trans168.324.4164.400000125.1
422V31.6Very low30.6Very low138 Ų138126.6 Ų126.684%0.83679%0.788SS**  trans9122.1163.4-171.50000122
423M33Very low30.8Very low161 Ų161125.3 Ų125.379%0.79380%0.797SS**  trans11.1151.6136.8-72.2-69.1-98.400121.5
424P45.6Very low30.2Very low107 Ų107123.5 Ų123.570%0.69580%0.799SS**  -162.7172.358.546.2-24.1000122.2
425Y26.5Very low30.4Very low202 Ų202122.2 Ų122.279%0.79281%0.808SS**  trans43122.4142.1-94-94000125.1
426L31.3Very low30.5Very low142 Ų142118.8 Ų118.874%0.74380%0.801SS**  165.5127110-93.9167.1000116.7
427Q29.4Very low30.6Very low185 Ų185120.3 Ų120.386%0.86481%0.806SS**  19.8144.1128.8-156.3164.74.600121.6
428G30Very low30.8Very low65 Ų65121.1 Ų121.167%0.6780%0.801SS**  cis161.7-171.8-200000113.5
429R30.5Very low30.9Very low261 Ų261121.5 Ų121.599%0.98579%0.794SS**  trans80.5136.1173.8-155.4-176.2-162-178.25.4116.6
430G29.3Very low30.9Very low65 Ų65123.2 Ų123.267%0.6779%0.789SS**  cis168.4157.5-12.900000115.2
431A32.8Very low30.7Very low115 Ų115121.9 Ų121.995%0.9577%0.773SS**  trans69.7139.8172.600000119.1
432G30Very low30.9Very low75 Ų75126.5 Ų126.577%0.77377%0.773SS**  cis174158-10.200000116.1
433A33.1Very low30.6Very low114 Ų114124.5 Ų124.594%0.94277%0.765SS**  trans61.7134.616800000119.8
434G29.2Very low30.3Very low77 Ų77123.6 Ų123.679%0.79477%0.769SS**  cis163.1143.1-12.900000115.6
435G29.8Very low29.5Very low88 Ų88123 Ų12391%0.90777%0.767SS**  trans74.1140.5168.400000116.3
436G30.4Very low29.6Very low67 Ų67120 Ų12069%0.69177%0.77SS**  cis-159.9146.2-10.700000107.6
437D30.4Very low29.6Very low145 Ų145119.4 Ų119.478%0.77577%0.773SS**  59.1129.870.2-81.8-23.2000115
438Q32.2Very low30.2Very low142 Ų142115.8 Ų115.866%0.66477%0.765SS**  cis-166.6149.9-13.8-146.1-178.398.700111.8
439N28.9Very low30.1Very low121 Ų121117.8 Ų117.865%0.64777%0.769SS**  trans63.9166.1160.6-65.6-24.3000117.7
440I29.7Very low30Very low129 Ų129109.7 Ų109.766%0.66276%0.758SS**  cis-148.9131.3-17.9-115.1162.4000105.3
441S25.8Very low29.9Very low83 Ų83112.1 Ų112.158%0.5876%0.764SS**  81.713968.5-50.80000115.9
442H29Very low29.6Very low174 Ų174112 Ų11281%0.80676%0.757SS**  trans73.9150.2166.1-49.5-60.8000117.6
443S25.7Very low29.6Very low96 Ų96113.6 Ų113.667%0.67176%0.756SS**  cis-175.2161.5-20.754.90000112.4
444V27.3Very low29.4Very low142 Ų142113 Ų11386%0.86175%0.745SS**  trans76.2156.6152.9166.10000117.8
445S28.6Very low29.3Very low95 Ų95115.1 Ų115.166%0.66475%0.746SS**  trans-83.1158.3-166.856.20000116.2
446T28.7Very low29.6Very low140 Ų140117 Ų11786%0.85974%0.742SS**  -166.1147.9115.321.10000113.2
447T31.6Very low29.6Very low129 Ų129120.7 Ų120.779%0.79175%0.752SS**  trans-86.9163.6157.347.20000108.7
448P42.1Very low29.6Very low108 Ų108119.3 Ų119.370%0.70175%0.753SS**  cis-151.3178.533.942.2-20.5000119.6
449S26.4Very low29.6Very low108 Ų108118.4 Ų118.476%0.75576%0.762SS**  trans71.8142.7142.365.40000123.1
450A28Very low29.6Very low90 Ų90119.7 Ų119.774%0.74477%0.768SS**  trans112.4135.7138.800000120.4
451S27.1Very low29.6Very low116 Ų116125.3 Ų125.381%0.81178%0.781SS**  trans57.8105.7152.1500000121.3
452S28.4Very low29.6Very low114 Ų114130 Ų13080%0.79779%0.794SS**  trans-65.8144.5150.752.50000114.7
453S28.6Very low30.5Very low108 Ų108126.9 Ų126.976%0.75579%0.789SS**  trans-177.3128138.241.70000108.3
454S29.5Very low30.5Very low100 Ų100126.9 Ų126.970%0.69980%0.795SS**  cis86.995.74379.20000114.8
455C27.4Very low32Very low123 Ų123125.8 Ų125.883%0.83179%0.791SS**  trans68.9145.6141.5-54.30000120.3
456P34.9Very low32.7Very low126 Ų126127.3 Ų127.382%0.81880%0.798SS**  trans-94.8140.6177.536.1-32.7000113.7
457T31Very low32.7Very low145 Ų145123.6 Ų123.689%0.8979%0.788SS**  trans-144.2164.5156.4-16.80000110.4
458S31.4Very low32.9Very low116 Ų116123.9 Ų123.981%0.81179%0.79SS**  trans-84176.6-160.351.60000116.8
459C31.8Very low32.5Very low124 Ų124126.5 Ų126.584%0.83880%0.795SS**  trans-96.3143.5-152.8-42.20000117
460D29.3Very low32.8Very low148 Ų148124.7 Ų124.779%0.79179%0.793SS**  trans56.598131.7-161-6.8000120.9
461R28.8Very low33Very low246 Ų246126 Ų12693%0.92880%0.797SS**  -173.2175.3123.2-105175.9177-178.1-1114.8
462Q26.8Very low33Very low182 Ų182124.7 Ų124.785%0.8579%0.793SS**  trans-139.9162.8-160.7172.8-177.4-70.700109.4
463P46.3Very low33.1Very low108 Ų108127.2 Ų127.270%0.70179%0.792SS**  cis-135160-1935.4-16.6000117.9
464A25.8Very low33.9Very low97 Ų97126.8 Ų126.880%0.80279%0.787SS**  trans63.8-174.3140.200000120.9
465P58.9Low34Very low118 Ų118129.8 Ų129.877%0.76679%0.79SS**  -129.4-150.1-126.740-14.9000113
466P44.9Very low34.1Very low127 Ų127127.1 Ų127.183%0.82578%0.783SS**  cis-137-171-9.344.6-26.1000116.5
467G27.4Very low34Very low63 Ų63129.6 Ų129.665%0.64978%0.784SS**  trans120.5133.616800000113.4
468T35.6Very low33.8Very low134 Ų134127.7 Ų127.782%0.82277%0.772SS**  cis79.1126.430.1-50.20000112.1
469M35.3Very low33.6Very low164 Ų164131.2 Ų131.281%0.80877%0.773SS**  cis-88.2-167.77.6-69.1-67.4-73.400113.2
470G30.9Very low33.3Very low70 Ų70129.9 Ų129.972%0.72277%0.766SS**  cis91.2152.210.300000113.1
471S32.9Very low33.3Very low116 Ų116131.1 Ų131.181%0.81177%0.771SS**  cis-123.2-154.715.162.40000111.5
472A27.9Very low33.1Very low90 Ų90122.3 Ų122.374%0.74476%0.757SS**  cis-145.1-143.714.900000113.5
473Q29.1Very low33.3Very low166 Ų166121.4 Ų121.478%0.77676%0.756SS**  trans-159.1-178-166.8-114-162.3-36.300111.7
474P47.1Very low32.5Very low99 Ų99121.3 Ų121.364%0.64376%0.758SS**  cis-139.6158.721.641.1-21.4000120.4
475Q31.2Very low32.7Very low163 Ų163123.6 Ų123.676%0.76276%0.757SS**  trans51.6135.6139.7-65.2161.3-40.400122.5
476G29.9Very low31.2Very low67 Ų67123.6 Ų123.669%0.69176%0.76SS**  cis159.7178.8-12.200000117
477Q32.8Very low30.3Very low178 Ų178120.5 Ų120.583%0.83275%0.751SS**  trans74.5134.3166.9-53.4-171.914.100116.2
478T25.1Very low30.6Very low105 Ų105126.6 Ų126.664%0.64477%0.767SS**  cis-157170.1-3.89.10000107.9
479F27.7Very low30.1Very low190 Ų190123.5 Ų123.583%0.83376%0.762SS**  cis-142.9-151.57.9-131-44.3000110.8
480S26.1Very low30.7Very low97 Ų97121.5 Ų121.568%0.67876%0.762SS**  trans-146.2178-170.6-53.50000113.5
481L28.2Very low31.7Very low173 Ų173123.8 Ų123.891%0.90676%0.763SS**  trans81.6145.2169.3-47172.2000115.8
482G24.5Very low32.7Very low61 Ų61123.6 Ų123.663%0.62976%0.759SS**  cis139.5148.9-10.500000114.2
483I32.3Very low33.4Very low164 Ų164125 Ų12584%0.84176%0.761SS**  trans68.7135.1174.6-25.8169000111.3
484S28.6Very low33.6Very low106 Ų106126.3 Ų126.374%0.74176%0.764SS**  cis-155.3159.136.8-46.40000115
485N30Very low33.8Very low145 Ų145127.2 Ų127.278%0.77577%0.77SS**  trans-3.6152.3155.5-66.8-0.8000123.2
486S27.8Very low34.7Very low117 Ų117125.4 Ų125.482%0.81877%0.773SS**  29.1137.8129.3-42.30000120
487G26.7Very low34.7Very low62 Ų62125.9 Ų125.964%0.63978%0.778SS**  cis119.4152.826.700000109.7
488L31.8Very low34.4Very low191 Ų191121.3 Ų121.3100%178%0.778SS**  trans67.5156.1-162.3-42.1169.2000111.7
489G25.8Very low34.6Very low69 Ų69119.5 Ų119.571%0.71178%0.78SS**  cis178.7166.4-4.600000110
490P47.2Very low34.6Very low123 Ų123121.4 Ų121.480%0.79978%0.784SS**  trans-93.2-177.8178.238.6-36.8000112.7
491P52.4Low34.6Very low117 Ų117122.8 Ų122.876%0.7679%0.788SS**  cis-120.4-119-29.231.1-10.2000110.3
492P54.3Low34.5Very low112 Ų112119.3 Ų119.373%0.72778%0.778SS**  -79.8-145.1-90.142.4-32000112.6
493P42Very low34.5Very low119 Ų119121.8 Ų121.877%0.77379%0.786SS**  cis-137.2-154.5-7.341.9-19.2000116.2
494K34.1Very low34.2Very low194 Ų194117.3 Ų117.384%0.84378%0.78SS**  trans-103.4-172.5162.9-57.5176.3175.3177.50109.5
495P51.7Low34Very low118 Ų118120.7 Ų120.777%0.76678%0.784SS**  cis-124.1-141.6-12.143.9-25.4000109.6
496P49.1Very low33.9Very low126 Ų126120.3 Ų120.382%0.81878%0.778SS**  cis-120.7-172.5-22.840.7-24.2000112.4
497G30Very low33.7Very low77 Ų77121.1 Ų121.179%0.79477%0.773SS**  cis166.8167.3-2.500000108.8
498G27.9Very low33.5Very low82 Ų82122.7 Ų122.785%0.84577%0.774SS**  cis174.1174.2-3.900000112
499G28.6Very low33.2Very low67 Ų67118 Ų11869%0.69176%0.757SS**  trans87.8148.9174.600000115.8
500Y26.7Very low33.2Very low230 Ų230122.3 Ų122.390%0.90276%0.764SS**  cis-148.3175.7-1.8-99.1-82000112.2
501T27.4Very low32.2Very low126 Ų126120 Ų12077%0.77376%0.762SS**  trans-58170.2178.551.70000115.3
502S24.7Very low30.9Very low100 Ų100122 Ų12270%0.69977%0.767SS**  cis-163.5165.926.3-160.60000114.8
503S25.9Very low29.5Very low113 Ų113120.7 Ų120.779%0.7976%0.76SS**  trans13.4144.7148.458.50000122.5
504G25.7Very low28.8Very low70 Ų70122.4 Ų122.472%0.72276%0.762SS**  cis154.2154.1-6.500000116.2
505Q25.2Very low28.5Very low176 Ų176118.9 Ų118.982%0.82276%0.757SS**  trans73.1136147.3-87.9-179.9-54.800125.5
506H26.7Very low27.4Very low138 Ų138119.8 Ų119.864%0.63976%0.755SS**  trans79.7114.9143.2-83.7-63.6000124.7
507N22.8Very low26.3Very low134 Ų134121.8 Ų121.872%0.71776%0.756SS**  75.5150.3124.1-82.924.8000124.8
508S24.5Very low26.2Very low95 Ų95125.7 Ų125.766%0.66476%0.764SS**  trans78101.5141.1-72.80000121.5
509S25.6Very low26.2Very low91 Ų91128.3 Ų128.364%0.63676%0.758SS**  56.6145.4113.9710000123.1
510D24.9Very low26.1Very low160 Ų160130.6 Ų130.686%0.85676%0.763SS**  trans69.7160.2158.3-52.1-49.3000118.9
511G26.2Very low26.2Very low74 Ų74123.3 Ų123.376%0.76376%0.757SS**  trans134.571.6161.900000118.4
512N24.6Very low26.6Very low160 Ų160125.8 Ų125.886%0.85676%0.76SS**  trans-58.9152.8144.8-80.2-23.5000109.7
513S25.1Very low27Very low85 Ų85127.3 Ų127.359%0.59476%0.76SS**  cis-172.9178.3-10.7-81.10000108.1
514L27Very low27.3Very low154 Ų154127.2 Ų127.281%0.80676%0.759SS**  trans65.9102147-78.2160000119.7
515T28.5Very low27.7Very low120 Ų120130.7 Ų130.774%0.73676%0.761SS**  152.9134.5103.640.80000117.2
516N27.5Very low28.3Very low138 Ų138130.3 Ų130.374%0.73876%0.764SS**  trans61.396.3143.5-62.90.6000123.5
517M25.7Very low28.6Very low168 Ų168127.2 Ų127.283%0.82877%0.769SS**  53.5109.5118.9-66.1-178.867.700121.4
518V28.6Very low29.2Very low159 Ų159128.2 Ų128.296%0.96477%0.774SS**  trans-127.4160.5131.4178.50000107.8
519N27.8Very low29.7Very low136 Ų136129.2 Ų129.273%0.72778%0.778SS**  trans-118166.9-158.9-169.120.8000114.6
520C27.6Very low30.4Very low116 Ų116131.1 Ų131.178%0.78479%0.788SS**  trans74.7129.7169.1-61.30000117.9
521G28.6Very low31.2Very low76 Ų76132.7 Ų132.778%0.78479%0.788SS**  trans-169.8-27.5178.700000121
522Q36Very low31.8Very low178 Ų178136.6 Ų136.683%0.83279%0.786SS**  trans72.9148.5177.8-63.6-164.4-15.400120.7
523N31.9Very low32.5Very low133 Ų133135.5 Ų135.571%0.71179%0.785SS**  trans77.599.9153.2-58.4-21.1000122.3
524S32.3Very low33.1Very low110 Ų110141.7 Ų141.777%0.76980%0.795SS**  56.4147.1125.8-59.10000121.6
525L33.7Very low34.1Very low144 Ų144141.5 Ų141.575%0.75479%0.794SS**  cis-153.6152.61.6-152.777.3000110
526L37.8Very low34.6Very low168 Ų168140.8 Ų140.888%0.8879%0.792SS**  trans55.5107.2171.7-100.365.9000117.2
527G32.8Very low35.4Very low72 Ų72140.4 Ų140.474%0.74280%0.8SS**  trans-123.9176.2165.700000112
528D35.3Very low36Very low156 Ų156136.9 Ų136.983%0.83478%0.784SS**PPolyproline II helixtrans-61.9154.6-168.4-63.3-81.4000116.6
529P36.3Very low37.2Very low116 Ų116135.1 Ų135.175%0.75378%0.776SS**PPolyproline II helixtrans-69.4135.2179.828-35.3000112.9
530P39.6Very low37.8Very low130 Ų130139 Ų13984%0.84478%0.782SS**PPolyproline II helixtrans-75.6146.4-176.530.2-35.5000113.5
531K41.3Very low38.9Very low194 Ų194138.6 Ų138.684%0.84377%0.772SS**PPolyproline II helixtrans-84.6160.4169.5-72.2-179.7176176.40111.9
532E38.7Very low39.6Very low155 Ų155140.6 Ų140.672%0.72476%0.764SS**  trans63.387.8166-67.4-173.3-127.300118.3R534E532-R534 IonicContact OE2-NH1 3.54Å; E532-R534 PolarHBondContact OE2-NH1 3.03Å
533V40.3Very low40.2Very low138 Ų138139.3 Ų139.384%0.83676%0.763SS**  trans-101.9108.3151.4179.10000108.9L535V533-L535 PolarHBondContact O-N 3.35Å
534R37.9Very low40.8Very low214 Ų214137 Ų13781%0.80876%0.761SS**  trans-92.596-174.5-147.2-178.5-158.7112.4-4.5110.8E532E532-R534 IonicContact OE2-NH1 3.54Å; E532-R534 PolarHBondContact OE2-NH1 3.03Å
535L47.8Very low41.3Very low151 Ų151136.7 Ų136.779%0.79176%0.759SS**  trans-66.3130.1179.2-75160.9000111.8V533V533-L535 PolarHBondContact O-N 3.35Å
536P38.2Very low41.6Very low105 Ų105134.8 Ų134.868%0.68275%0.754SS**  trans-78128.2177.130.5-33.5000111.7N538P536-N538 PolarHBondContact O-N 2.89Å
537S45Very low41.4Very low130 Ų130135 Ų13591%0.90975%0.752SS**  trans-81.267.8-175.443.20000113.6
538N39.1Very low41.4Very low94 Ų94138 Ų13850%0.50376%0.759SS.*  trans-131.7112.8173.2-171.9-18.2000112P536 Y540P536-N538 PolarHBondContact O-N 2.89Å; N538-Y540 PolarHBondContact O-N 2.85Å; N538-Y540 VanDerWaalsContact O-N 3.14Å; N538-Y540 PolarHBondContact OD1-N 2.96Å
539P52.9Low41.2Very low122 Ų122133.8 Ų133.879%0.79275%0.752SS**THydrogen-bonded Turntrans-76.54-171.732.1-37.1000115.4
540Y41.1Very low41Very low217 Ų217135.1 Ų135.185%0.85176%0.758SS**THydrogen-bonded Turntrans-112.38.2-179.6-70.4-74.4000114.6N538N538-Y540 PolarHBondContact O-N 2.85Å; N538-Y540 VanDerWaalsContact O-N 3.14Å; N538-Y540 PolarHBondContact OD1-N 2.96Å
541L49.5Very low40.6Very low108 Ų108134.8 Ų134.857%0.56575%0.753SS**  trans-95.6112-176.1-141.3163.6000111.1
542N44.9Very low40.1Very low117 Ų117133.8 Ų133.863%0.62676%0.756SS**  trans-77.8122.9-178.8-172.1-15.9000111.1A544 S545N542-A544 PolarHBondContact O-N 3.28Å; N542-A544 VanDerWaalsContact O-N 3.15Å; N542-A544 PolarHBondContact OD1-N 2.82Å; N542-S545 PolarHBondContact O-N 3.17Å
543L47.8Very low39.5Very low152 Ų152134.2 Ų134.280%0.79676%0.758SS**G310 helixtrans-65-16.2-175.2-73.6163.8000114.4S545L543-S545 PolarHBondContact O-N 3.13Å; L543-S545 VanDerWaalsContact O-N 3.09Å
544A43.4Very low38.8Very low83 Ų83135.9 Ų135.969%0.68676%0.762SS**G310 helixtrans-64.8-9.7179.100000114.9N542N542-A544 PolarHBondContact O-N 3.28Å; N542-A544 VanDerWaalsContact O-N 3.15Å; N542-A544 PolarHBondContact OD1-N 2.82Å
545S42.9Very low38.3Very low104 Ų104130.3 Ų130.373%0.72776%0.756SS**G310 helixtrans-100.96.8-173.8-580000115.5N542 L543N542-S545 PolarHBondContact O-N 3.17Å; L543-S545 PolarHBondContact O-N 3.13Å; L543-S545 VanDerWaalsContact O-N 3.09Å
546V41.9Very low37.3Very low105 Ų105130.2 Ų130.264%0.63676%0.761SS**SBendtrans-110.18.3-172.6-159.60000113.5
547M33.4Very low36.8Very low172 Ų172129.4 Ų129.485%0.84776%0.764SS**  trans-135.7109.5177.6-68-162.475.900113.7G549M547-G549 PolarHBondContact O-N 3.38Å
548P31.7Very low35.9Very low135 Ų135131 Ų13188%0.87776%0.762SS**  trans-80.6104.9168.7-11.829.2000112.2
549G30.5Very low35.4Very low68 Ų68135.7 Ų135.770%0.70178%0.778SS**  trans46105.6146.200000121.2M547M547-G549 PolarHBondContact O-N 3.38Å
550V32.8Very low34.4Very low143 Ų143136 Ų13687%0.86778%0.78SS**  trans-123.7126.2136.6177.60000107.3
551V30.9Very low33.8Very low124 Ų124135.3 Ų135.375%0.75278%0.784SS**  trans-107.8123177.6177.50000108.7
552L30.9Very low32.5Very low172 Ų172133.7 Ų133.790%0.90179%0.794SS**  trans-121.6125.2160-79.4173.5000108.7
553Q27Very low31.6Very low165 Ų165132 Ų13277%0.77180%0.804SS**  trans-103.8121.9-172.7169.7-177.7-2400108.7
554N24.9Very low30.9Very low172 Ų172133.6 Ų133.692%0.9281%0.808SS**  trans-141.5121.4162.7-135.752.7000109.8
555S28Very low30.9Very low97 Ų97135.3 Ų135.368%0.67881%0.812SS**  trans-114.5141.7-172.154.20000111.5
556V26.5Very low30.2Very low149 Ų149133.4 Ų133.490%0.90381%0.809SS**  trans-158.7149.4139.7134.30000107.4
557A28.3Very low29.5Very low88 Ų88135.7 Ų135.773%0.72782%0.823SS**  trans-123.5168.9-175.500000110.9
558N25.3Very low29.2Very low165 Ų165130.9 Ų130.988%0.88282%0.818SS**  trans-148.9138.5151.6-120.9-26.6000112.1
559K28.9Very low29.3Very low191 Ų191130.5 Ų130.583%0.8381%0.812SS**  trans-147148.7172.9-126-157.6172.2-176.70106.8
560P30.8Very low29.3Very low129 Ų129138.3 Ų138.384%0.83882%0.822SS**  trans-72.9155-172.430.5-34.2000112.4
561Q28.6Very low29Very low202 Ų202135 Ų13594%0.94482%0.818SS**  trans-104.8147.4-174.7-172-177.431.300112.1
562G24Very low29Very low75 Ų75133.8 Ų133.877%0.77382%0.82SS**  trans-178.1135165.100000112.4
563G24.8Very low30Very low81 Ų81131 Ų13184%0.83581%0.813SS**  trans111.4108.2173.400000115.7
564Q33.8Very low30.1Very low186 Ų186129.9 Ų129.987%0.86982%0.817SS**  trans-86.8-169169.6-64.5-166.2-11.300111.7
565P43.3Very low30.3Very low119 Ų119125.8 Ų125.877%0.77381%0.807SS**  cis-134.3179.3-15.217.97.6000115.5
566G27.5Very low31Very low64 Ų64126.6 Ų126.666%0.6681%0.81SS**  trans140.6109.1136.500000119.8
567T27.8Very low31Very low152 Ų152125.8 Ų125.893%0.93381%0.805SS**  trans42.6132.1149.450.50000120.8
568G28Very low31Very low72 Ų72125.8 Ų125.874%0.74281%0.805SS**  cis173.3-1609.300000108.7
569V32.5Very low31.1Very low126 Ų126122.9 Ų122.976%0.76480%0.797SS**  cis-170.8152.2-13.7118.70000109.6
570Y30.6Very low30.9Very low232 Ų232122.9 Ų122.991%0.9180%0.8SS**  trans63.5150.1-177.1-63.5-58.8000117.4
571G27Very low30.6Very low75 Ų75120.5 Ų120.577%0.77380%0.799SS**  cis-149.3-168.83.200000113.8
572A31.1Very low31.5Very low97 Ų97116.2 Ų116.280%0.80279%0.789SS**  trans-126.1-165.5-164.100000112.2
573P51.4Low31.8Very low115 Ų115119.1 Ų119.175%0.74779%0.792SS**  cis-142.7-165.9-0.531.6-5000117.1
574V29.9Very low31.9Very low141 Ų141119.3 Ų119.386%0.85578%0.78SS**  trans93.7144.3158.9-163.80000118.5
575A28.1Very low31.6Very low86 Ų86119.5 Ų119.571%0.71178%0.778SS**  trans-124.3-146.1-177.100000110
576P44Very low30.8Very low113 Ų113118.2 Ų118.273%0.73477%0.772SS**  cis-144.6167.61446.1-25.9000119.4
577V26.2Very low30.8Very low132 Ų132123.2 Ų123.280%0.878%0.778SS**  trans47.1104.2132.8-178.30000122.4
578A28Very low30.7Very low88 Ų88120.7 Ų120.773%0.72777%0.767SS**  70154120.300000127.1
579S26.6Very low30.9Very low104 Ų104122.1 Ų122.173%0.72777%0.771SS**  trans81.4112.8140.747.40000124.9
580Q24.9Very low30.8Very low191 Ų191120.2 Ų120.289%0.89377%0.769SS**  62.494.2126.4-59-175.77.700123.6
581G24.1Very low30.7Very low79 Ų79115.6 Ų115.681%0.81476%0.764SS**  trans55.3-159.4133.600000120.7
582P47.3Very low30.6Very low112 Ų112118.3 Ų118.373%0.72777%0.766SS**  cis-139.2-179.2-27.833.4-12.8000115.1
583V30.5Very low30.6Very low137 Ų137119.8 Ų119.883%0.8377%0.765SS**  trans60159.2161.2-75.70000119
584S27.3Very low29.9Very low85 Ų85120.3 Ų120.359%0.59477%0.769SS**  cis-131.4-16417.7-56.10000111.7
585F27.1Very low29.8Very low190 Ų190118 Ų11883%0.83376%0.764SS**  cis-155.9164.814-100.7-58.7000111.5
586S27Very low30.4Very low92 Ų92119 Ų11964%0.64376%0.764SS**  trans42143141.1-57.20000122.7
587H27.4Very low29.5Very low168 Ų168123.8 Ų123.878%0.77877%0.769SS**  cis-161.4145.58-125.9-61.2000112.9
588S26Very low29.5Very low100 Ų100122.6 Ų122.670%0.69977%0.766SS**  trans66.1113.7146.5-56.90000125.2
589A31.6Very low29.6Very low101 Ų101123.1 Ų123.184%0.83576%0.764SS**  43.7146.5126.500000124
590A30.2Very low29.7Very low86 Ų86125.3 Ų125.371%0.71177%0.768SS**  cis-173.5153.3-11.500000113.4
591V28.9Very low29.8Very low135 Ų135123.2 Ų123.282%0.81877%0.768SS**  trans66.4135.3156.6170.90000117
592T25.2Very low30.1Very low132 Ų132124.5 Ų124.581%0.8177%0.765SS**  cis-142.9163.424.1-27.80000113.6
593T30Very low29.2Very low128 Ų128124.2 Ų124.279%0.78577%0.765SS**  trans-87.7175.3165.925.60000112.8
594P36.7Very low29Very low127 Ų127124.2 Ų124.283%0.82576%0.761SS**  cis-132.2-179.719.242.4-24.1000118.2
595A28.1Very low29.2Very low91 Ų91130 Ų13075%0.75278%0.776SS**  trans-88.9-164.4178.600000111.3
596P41.1Very low29.6Very low108 Ų108127.4 Ų127.470%0.70178%0.776SS**  cis-137-166.214.448.2-29.5000114.5
597Y25.3Very low29.7Very low214 Ų214131.1 Ų131.184%0.83978%0.783SS**  cis-144.51647.6-129.8-68000111.7
598S25.6Very low29.9Very low107 Ų107134 Ų13475%0.74879%0.789SS**  trans-28.4152.6-175.4-540000122.8
599S30.6Very low30.1Very low98 Ų98136.7 Ų136.769%0.68580%0.795SS**  trans-97.9146150.962.80000111.5
600D27.8Very low30.2Very low150 Ų150140.5 Ų140.580%0.80280%0.795SS**  trans159.4109.5130.8-85.97.3000111.8
601T27.3Very low30.6Very low147 Ų147140.6 Ų140.690%0.90280%0.796SS**  trans-160.2147.1152.113.20000110.4
602S31Very low31.2Very low106 Ų106143.1 Ų143.174%0.74179%0.792SS**  trans-117.2159.2169.9-175.60000109.7
603S28.6Very low33Very low106 Ų106140.9 Ų140.974%0.74178%0.778SS**  trans56.386.4168570000117.4
604D26.5Very low33.6Very low137 Ų137141.6 Ų141.673%0.73377%0.773SS**  trans-117.798.5157.5-102.4-41.3000110.4
605F30.7Very low34.6Very low207 Ų207141.6 Ų141.691%0.90876%0.762SS**  trans-15641.3154.4-141.4-92.8000113.3
606T35.1Very low36Very low136 Ų136138.8 Ų138.883%0.83474%0.739SS**  trans-134.757.1175.5500000111.7
607Q31Very low36.5Very low169 Ų169139 Ų13979%0.7973%0.732SS**  trans-134.867.3178.1-158.4170.132.100114.1
608Y31.1Very low37.9Very low230 Ų230134.6 Ų134.690%0.90272%0.719SS**  trans-145.160.9147.7-132.9-83.6000112
609N30.6Very low39.7Very low155 Ų155135.5 Ų135.583%0.82971%0.711SS**  trans-146.1101.3167.9-134-89.4000109.2A611N609-A611 PolarHBondContact O-N 3.28Å; N609-A611 VanDerWaalsContact O-N 3.16Å
610Q33.2Very low41.3Very low181 Ų181138.6 Ų138.685%0.84671%0.708SS**  trans-80.194.7176.3-74.8-175.3-13.900109.5Y612Q610-Y612 PolarHBondContact O-N 2.7Å
611A37.8Very low42.8Very low88 Ų88138 Ų13873%0.72770%0.695SS**  trans-66.9115.3169.100000109.7N609 T613N609-A611 PolarHBondContact O-N 3.28Å; N609-A611 VanDerWaalsContact O-N 3.16Å; A611-T613 PolarHBondContact O-N 3.01Å
612Y42.7Very low44.4Very low189 Ų189137.7 Ų137.774%0.74168%0.684SS**  trans-63.7126.6172-110.3-98.1000110Q610 A616Q610-Y612 PolarHBondContact O-N 2.7Å; Y612-A616 HydrophobicContact CD1-CB 4.33Å
613T61.3Low45.8Very low84 Ų84139.6 Ų139.652%0.51568%0.681SS.*  trans-74.9150.217656.40000111.4A611 E615 A616 M617A611-T613 PolarHBondContact O-N 3.01Å; T613-E615 WeakPolarHBondContact CB-OE2 3.46Å; T613-E615 PolarHBondContact O-N 3.33Å; T613-A616 PolarHBondContact O-N 3.15Å; T613-M617 PolarHBondContact O-N 2.82Å
614Q43.8Very low47.6Very low144 Ų144140 Ų14067%0.67367%0.667SS**Hα-helixtrans-70.6-24.2-173.1-162.6172.79.300112.1H618Q614-H618 PolarHBondContact O-N 2.92Å; Q614-H618 PolarHBondContact O-ND1 2.83Å
615E57.9Low48.9Very low126 Ų126139 Ų13959%0.58966%0.658SS**Hα-helixtrans-70.2-43.2174.6-59.773-161.300111.6T613 M617 H618 Q619T613-E615 WeakPolarHBondContact CB-OE2 3.46Å; T613-E615 PolarHBondContact O-N 3.33Å; E615-M617 VanDerWaalsContact C-N 3.27Å; E615-M617 PolarHBondContact O-N 2.95Å; E615-H618 PolarHBondContact O-N 2.82Å; E615-H618 VanDerWaalsContact O-N 3.16Å; E615-Q619 PolarHBondContact O-N 2.79Å
616A57.2Low50.1Low33 Ų33131.6 Ų131.627%0.27364%0.635SS.*Hα-helixtrans-62.4-36.417900000111.8Y612 T613 Q619 W620Y612-A616 HydrophobicContact CD1-CB 4.33Å; T613-A616 PolarHBondContact O-N 3.15Å; A616-Q619 PolarHBondContact O-N 2.98Å; A616-W620 PolarHBondContact O-N 3.23Å; A616-W620 VanDerWaalsContact O-N 3.08Å
617M51.5Low50.9Low113 Ų113127.9 Ų127.956%0.55762%0.618SS**Hα-helixtrans-66.4-36.8176.4-162.1177.7-63.900112.5T613 E615 Y621T613-M617 PolarHBondContact O-N 2.82Å; E615-M617 VanDerWaalsContact C-N 3.27Å; E615-M617 PolarHBondContact O-N 2.95Å; M617-Y621 PolarHBondContact O-N 3.25Å
618H55.3Low51.6Low120 Ų120124.8 Ų124.856%0.55660%0.604SS**Hα-helixtrans-71.3-40.2175.5-76.895.5000112.8Q614 E615 W620 Y621 Q622Q614-H618 PolarHBondContact O-N 2.92Å; Q614-H618 PolarHBondContact O-ND1 2.83Å; E615-H618 PolarHBondContact O-N 2.82Å; E615-H618 VanDerWaalsContact O-N 3.16Å; H618-W620 VanDerWaalsContact C-N 3.34Å; H618-W620 PolarHBondContact O-N 3.02Å; H618-Y621 WeakPolarHBondContact O-CB 3.42Å; H618-Y621 PolarHBondContact O-N 3.16Å; H618-Q622 PolarHBondContact O-N 3.31Å
619Q61.7Low52.4Low127 Ų127117.1 Ų117.159%0.59359%0.588SS**Hα-helixtrans-62.5-41.6175.9-71.2179-8.700111.5E615 A616 Y621 Q622 H623E615-Q619 PolarHBondContact O-N 2.79Å; A616-Q619 PolarHBondContact O-N 2.98Å; Q619-Y621 VanDerWaalsContact C-N 3.33Å; Q619-Y621 PolarHBondContact O-N 3.42Å; Q619-Q622 PolarHBondContact O-N 3.33Å; Q619-H623 PolarHBondContact O-CD2 3.42Å; Q619-H623 PolarHBondContact O-N 3.49Å; Q619-H623 VanDerWaalsContact O-N 3.13Å
620W66.1Low53Low163 Ų163117.9 Ų117.962%0.61759%0.586SS**Hα-helixtrans-59.6-42.5172.9-171.487.8000112A616 H618 Q622 H623 Y624A616-W620 PolarHBondContact O-N 3.23Å; A616-W620 VanDerWaalsContact O-N 3.08Å; H618-W620 VanDerWaalsContact C-N 3.34Å; H618-W620 PolarHBondContact O-N 3.02Å; W620-Q622 PolarHBondContact O-N 3.45Å; W620-H623 PolarHBondContact O-N 3.38Å; W620-Y624 HydrophobicContact CH2-CD2 4.12Å; W620-Y624 HydrophobicContact CH2-CE2 4.49Å; W620-Y624 HydrophobicContact CH2-CG 4.36Å; W620-Y624 HydrophobicContact CZ2-CD2 4.37Å; W620-Y624 HydrophobicContact CZ3-CG 4.41Å; W620-Y624 WeakPolarHBondContact O-CB 3.49Å; W620-Y624 PolarHBondContact O-N 3.12Å
621Y58Low53.3Low136 Ų136114.5 Ų114.553%0.53358%0.578SS.*Hα-helixtrans-64.1-38.2179-137.3-92.3000113.1M617 H618 Q619 Y624 Q625M617-Y621 PolarHBondContact O-N 3.25Å; H618-Y621 WeakPolarHBondContact O-CB 3.42Å; H618-Y621 PolarHBondContact O-N 3.16Å; Q619-Y621 VanDerWaalsContact C-N 3.33Å; Q619-Y621 PolarHBondContact O-N 3.42Å; Y621-Y624 PolarHBondContact O-N 3.44Å; Y621-Q625 PolarHBondContact O-N 3.1Å
622Q61.6Low53.3Low141 Ų141120.4 Ų120.466%0.65958%0.583SS**Hα-helixtrans-66.3-44.6174.8-73.9-174.2-38.900112.2H618 Q619 W620 Y624 Q625 A626H618-Q622 PolarHBondContact O-N 3.31Å; Q619-Q622 PolarHBondContact O-N 3.33Å; W620-Q622 PolarHBondContact O-N 3.45Å; Q622-Y624 VanDerWaalsContact C-N 3.31Å; Q622-Y624 PolarHBondContact O-N 3.26Å; Q622-Q625 PolarHBondContact O-N 3.46Å; Q622-A626 PolarHBondContact O-N 3.37Å
623H60.9Low52.9Low147 Ų147116.3 Ų116.368%0.68158%0.582SS**Hα-helixtrans-63.2-36.6174.9-86.3-81.2000112.5Q619 W620 A626 A627Q619-H623 PolarHBondContact O-CD2 3.42Å; Q619-H623 PolarHBondContact O-N 3.49Å; Q619-H623 VanDerWaalsContact O-N 3.13Å; W620-H623 PolarHBondContact O-N 3.38Å; H623-A626 PolarHBondContact O-N 3.28Å; H623-A627 PolarHBondContact O-N 3.06Å
624Y65.7Low51.3Low113 Ų113119 Ų11944%0.44360%0.598SS.*Hα-helixtrans-66.3-41.3176.8-169-104000112.4W620 Y621 Q622 A627 Q628W620-Y624 HydrophobicContact CH2-CD2 4.12Å; W620-Y624 HydrophobicContact CH2-CE2 4.49Å; W620-Y624 HydrophobicContact CH2-CG 4.36Å; W620-Y624 HydrophobicContact CZ2-CD2 4.37Å; W620-Y624 HydrophobicContact CZ3-CG 4.41Å; W620-Y624 WeakPolarHBondContact O-CB 3.49Å; W620-Y624 PolarHBondContact O-N 3.12Å; Y621-Y624 PolarHBondContact O-N 3.44Å; Q622-Y624 VanDerWaalsContact C-N 3.31Å; Q622-Y624 PolarHBondContact O-N 3.26Å; Y624-A627 PolarHBondContact O-N 3.37Å; Y624-Q628 HydrophobicContact CE1-CG 4.41Å; Y624-Q628 PolarHBondContact O-N 2.94Å; Y624-Q628 VanDerWaalsContact O-N 3.1Å; Y624-Q628 PolarHBondContact OH-NE2 3.35Å
625Q54Low50.8Low116 Ų116118.6 Ų118.654%0.54261%0.606SS.*Hα-helixtrans-67.7-38.3174.4-74.6-174.4-18.900112.7Y621 Q622 A627 Q628 A629Y621-Q625 PolarHBondContact O-N 3.1Å; Q622-Q625 PolarHBondContact O-N 3.46Å; Q625-A627 VanDerWaalsContact C-N 3.32Å; Q625-A627 PolarHBondContact O-N 3.44Å; Q625-Q628 PolarHBondContact O-N 3.44Å; Q625-A629 PolarHBondContact O-N 3.46Å; Q625-A629 VanDerWaalsContact O-N 3.12Å
626A55.5Low49.7Very low53 Ų53117 Ų11744%0.43861%0.614SS.*Hα-helixtrans-60.7-41.5173.400000111.9Q622 H623 A629 H630Q622-A626 PolarHBondContact O-N 3.37Å; H623-A626 PolarHBondContact O-N 3.28Å; A626-A629 PolarHBondContact O-N 3.02Å; A626-H630 PolarHBondContact O-CD2 3.43Å; A626-H630 VanDerWaalsContact O-CD2 3.28Å
627A51.7Low48.8Very low58 Ų58121.6 Ų121.648%0.47964%0.641SS.*Hα-helixtrans-64.5-38.4175.600000112.9H623 Y624 Q625 H630H623-A627 PolarHBondContact O-N 3.06Å; Y624-A627 PolarHBondContact O-N 3.37Å; Q625-A627 VanDerWaalsContact C-N 3.32Å; Q625-A627 PolarHBondContact O-N 3.44Å; A627-H630 PolarHBondContact O-N 3.49Å
628Q47.1Very low47.9Very low104 Ų104124.6 Ų124.649%0.48665%0.654SS.*Hα-helixtrans-69.7-31.5178.2-73-170.3-17.900113.4Y624 Q625 H630 T631Y624-Q628 HydrophobicContact CE1-CG 4.41Å; Y624-Q628 PolarHBondContact O-N 2.94Å; Y624-Q628 VanDerWaalsContact O-N 3.1Å; Y624-Q628 PolarHBondContact OH-NE2 3.35Å; Q625-Q628 PolarHBondContact O-N 3.44Å; Q628-H630 VanDerWaalsContact C-N 3.26Å; Q628-H630 PolarHBondContact O-N 3.08Å; Q628-T631 PolarHBondContact O-N 3.17Å
629A46.2Very low46.6Very low69 Ų69126.4 Ų126.457%0.5767%0.668SS**Hα-helixtrans-62.3-31.1177.800000113.2Q625 A626 T631Q625-A629 PolarHBondContact O-N 3.46Å; Q625-A629 VanDerWaalsContact O-N 3.12Å; A626-A629 PolarHBondContact O-N 3.02Å; A629-T631 VanDerWaalsContact C-N 3.33Å; A629-T631 PolarHBondContact O-N 3.19Å
630H43.5Very low45Very low170 Ų170123 Ų12379%0.78767%0.666SS**THydrogen-bonded Turntrans-78.8-8.7-178.9-74.4-65.1000114.9A626 A627 Q628A626-H630 PolarHBondContact O-CD2 3.43Å; A626-H630 VanDerWaalsContact O-CD2 3.28Å; A627-H630 PolarHBondContact O-N 3.49Å; Q628-H630 VanDerWaalsContact C-N 3.26Å; Q628-H630 PolarHBondContact O-N 3.08Å
631T40Very low43.2Very low110 Ų110121.9 Ų121.968%0.67568%0.678SS**THydrogen-bonded Turntrans-97.8-11.3-176.7-46.40000113.5Q628 A629Q628-T631 PolarHBondContact O-N 3.17Å; A629-T631 VanDerWaalsContact C-N 3.33Å; A629-T631 PolarHBondContact O-N 3.19Å
632Y37.2Very low41.7Very low213 Ų213119.9 Ų119.984%0.83569%0.689SS**SBendtrans-123.548.9-178.7-84.5-79.5000113.5
633S35.2Very low40.2Very low102 Ų102117.7 Ų117.771%0.71370%0.695SS**  trans-159.494.1163.4-83.70000113.6
634T27.8Very low38.5Very low141 Ų141118.1 Ų118.187%0.86570%0.702SS**  trans-164.9121.5142.7-70.60000108.4
635T32.2Very low36.6Very low136 Ų136122.5 Ų122.583%0.83472%0.72SS**  trans-129.9106.6174.849.50000110.9
636A35.6Very low35.3Very low92 Ų92121.3 Ų121.376%0.7672%0.724SS**  trans57147164.900000117.9
637P38Very low34Very low129 Ų129128 Ų12884%0.83874%0.744SS**  -135.6-174.587.839.2-27.8000114.1
638Q32.7Very low32.8Very low176 Ų176134.2 Ų134.282%0.82276%0.763SS**  trans-63.8162.1167-62.9167.3-66.800109.6
639D29Very low32.1Very low159 Ų159137 Ų13785%0.8578%0.775SS**  -175.5179.864.2-138-30.4000113
640G27.2Very low31.1Very low54 Ų54139.7 Ų139.756%0.55779%0.785SS**  trans81.890.4142.200000122.3
641T28.4Very low30.3Very low140 Ų140140 Ų14086%0.85979%0.787SS**  40.813512857.70000124.2
642A27.1Very low29.6Very low95 Ų95140.3 Ų140.379%0.78579%0.788SS**  trans59.3113.8148.300000118.8
643A30Very low29.6Very low94 Ų94136.1 Ų136.178%0.77779%0.787SS**  74.4112.362.800000115.2
644D25.1Very low29.3Very low156 Ų156135.9 Ų135.983%0.83479%0.791SS**  -162.5164.1122.6-122.4-25.4000117.2
645Y25.3Very low29.3Very low205 Ų205134.1 Ų134.180%0.80479%0.791SS**  trans-23.1147-177.8-96.1-128000127.2
646S26.2Very low29.2Very low92 Ų92133.3 Ų133.364%0.64379%0.791SS**  trans67.2119.2138.9-72.80000122.5
647K28.9Very low29Very low193 Ų193135.3 Ų135.384%0.83979%0.794SS**  64125.695.1-94.4-173.4174.3-174.90114.4
648E26.3Very low28.7Very low189 Ų189140.4 Ų140.488%0.88380%0.798SS**  -138.1-17658.9-166.8150.589.700115
649H31.3Very low29Very low162 Ų162134.9 Ų134.975%0.7579%0.789SS**  trans-80.9152.8-174.6-85.78.7000114
650T26.7Very low29.4Very low125 Ų125134 Ų13477%0.76778%0.784SS**  -172152.172.6-57.20000107.7
651Q25.9Very low30Very low178 Ų178140.3 Ų140.383%0.83279%0.792SS**  cis-143.1-163.322.2-148.1168.6-500112.8
652V26Very low30.6Very low116 Ų116138.4 Ų138.470%0.70378%0.78SS**  trans-149.9145-174.8175.60000105.8
653P37.5Very low31.4Very low124 Ų124138.9 Ų138.981%0.80577%0.774SS**  cis-135.2-172.938.335.6-14.3000115.3
654A28.1Very low32Very low97 Ų97142.3 Ų142.380%0.80277%0.768SS**  cis-165.2146-40.600000107.1
655A28.7Very low33.2Very low104 Ų104139.8 Ų139.886%0.8675%0.752SS**  trans-116.7145.7-174.100000112.9
656S30Very low33.9Very low120 Ų120136.8 Ų136.884%0.83975%0.746SS**  trans-117.3113.1173.157.80000110.7
657T30.9Very low34.6Very low134 Ų134135.3 Ų135.382%0.82274%0.739SS**  trans-69140.1-177-520000113.1
658Y31.1Very low35.3Very low235 Ų235130.3 Ų130.392%0.92272%0.724SS**  trans-137.5144.3154.6-142.3-97.5000109.5
659G39.4Very low35.9Very low61 Ų61126.3 Ų126.363%0.62971%0.713SS**  trans-88.7164.3-156.900000117.2
660D37.4Very low36Very low140 Ų140126.2 Ų126.275%0.74971%0.713SS**  trans-69.3135-172.1-62.7-71000115.2T662D660-T662 PolarHBondContact O-N 3.35Å
661Y39.4Very low36.4Very low186 Ų186130.1 Ų130.173%0.72972%0.715SS**THydrogen-bonded Turntrans-62.9-23.6-178.4-162.2-103.8000113.9T663 Y664 M665Y661-T663 PolarHBondContact O-N 3.44Å; Y661-Y664 PolarHBondContact O-N 3.48Å; Y661-M665 HydrophobicContact CD1-CG 4.28Å; Y661-M665 HydrophobicContact CE1-CG 4.12Å; Y661-M665 HydrophobicContact CE1-SD 4.43Å
662T40.5Very low36.9Very low100 Ų100132.5 Ų132.561%0.61372%0.718SS**Hα-helixtrans-63.9-38.7-170.4-45.30000113.5D660 Y664D660-T662 PolarHBondContact O-N 3.35Å; T662-Y664 PolarHBondContact O-N 3.33Å
663T45.5Very low37.2Very low106 Ų106131.3 Ų131.365%0.6572%0.715SS**Hα-helixtrans-70-33.1-177.3-51.90000112.4Y661 Q666 A667Y661-T663 PolarHBondContact O-N 3.44Å; T663-Q666 PolarHBondContact O-N 3.01Å; T663-A667 PolarHBondContact O-N 3.35Å
664Y42.4Very low36.9Very low165 Ų165134.1 Ų134.165%0.64772%0.717SS**Hα-helixtrans-67.5-40.9-179.5-170.5-102000112.1Y661 T662 Q666 A667 V668Y661-Y664 PolarHBondContact O-N 3.48Å; T662-Y664 PolarHBondContact O-N 3.33Å; Y664-Q666 VanDerWaalsContact C-N 3.31Å; Y664-Q666 PolarHBondContact O-N 3.44Å; Y664-A667 PolarHBondContact O-N 3.05Å; Y664-V668 HydrophobicContact CE1-CG2 4.17Å; Y664-V668 PolarHBondContact O-N 3.4Å
665M49.9Very low37.2Very low104 Ų104135 Ų13551%0.51271%0.714SS.*Hα-helixtrans-62.1-33.2178.8-76.4-63.3-60.100113.7Y661 T669Y661-M665 HydrophobicContact CD1-CG 4.28Å; Y661-M665 HydrophobicContact CE1-CG 4.12Å; Y661-M665 HydrophobicContact CE1-SD 4.43Å; M665-T669 PolarHBondContact O-OG1 3.44Å
666Q40.1Very low37.5Very low142 Ų142134.6 Ų134.666%0.66471%0.712SS**Hα-helixtrans-75.1-36.1177.5-72.1-176.1-26.400112.5T663 Y664 T669T663-Q666 PolarHBondContact O-N 3.01Å; Y664-Q666 VanDerWaalsContact C-N 3.31Å; Y664-Q666 PolarHBondContact O-N 3.44Å; Q666-T669 PolarHBondContact O-N 3.13Å
667A40.7Very low37.5Very low60 Ų60135.8 Ų135.850%0.49671%0.714SS.*Hα-helixtrans-64.6-42.1-178.600000113.2T663 Y664 T669 Q670T663-A667 PolarHBondContact O-N 3.35Å; Y664-A667 PolarHBondContact O-N 3.05Å; A667-T669 VanDerWaalsContact C-N 3.28Å; A667-T669 PolarHBondContact O-N 3.45Å; A667-Q670 PolarHBondContact O-N 3.04Å
668V43.1Very low37.4Very low88 Ų88135.2 Ų135.253%0.53371%0.711SS.*Hα-helixtrans-65.6-32.5-179.1-1800000111.9Y664 Q670 Y671Y664-V668 HydrophobicContact CE1-CG2 4.17Å; Y664-V668 PolarHBondContact O-N 3.4Å; V668-Q670 VanDerWaalsContact C-N 3.29Å; V668-Q670 PolarHBondContact O-N 3.16Å; V668-Y671 PolarHBondContact O-N 3.3Å
669T38.4Very low37.3Very low106 Ų106131 Ų13165%0.6570%0.704SS**Hα-helixtrans-71.3-21.3-175.5-54.50000113.2M665 Q666 A667M665-T669 PolarHBondContact O-OG1 3.44Å; Q666-T669 PolarHBondContact O-N 3.13Å; A667-T669 VanDerWaalsContact C-N 3.28Å; A667-T669 PolarHBondContact O-N 3.45Å
670Q34.2Very low36.7Very low159 Ų159136.8 Ų136.874%0.74371%0.714SS**THydrogen-bonded Turntrans-81.2-14.9179.3-73.6-75.5-70.900114.3A667 V668A667-Q670 PolarHBondContact O-N 3.04Å; V668-Q670 VanDerWaalsContact C-N 3.29Å; V668-Q670 PolarHBondContact O-N 3.16Å
671Y35.6Very low36.1Very low208 Ų208134.3 Ų134.382%0.81671%0.713SS**SBendtrans-94.34.2-166.3-114.3-83.7000116.4V668V668-Y671 PolarHBondContact O-N 3.3Å
672Y35.3Very low35.4Very low227 Ų227135.6 Ų135.689%0.8972%0.723SS**SBendtrans-131.637.3-171-106-78.1000114.9
673S31.9Very low34.7Very low91 Ų91134.7 Ų134.764%0.63673%0.726SS**  trans-138.4144.5173.863.90000114
674Q31.2Very low33.7Very low183 Ų183135.2 Ų135.286%0.85573%0.734SS**  trans79.7152.6174.9-56.3-71.5-7.300117.4
675P36Very low32.9Very low115 Ų115137.4 Ų137.475%0.74775%0.747SS**  trans-111.4-179.3-152.642.9-36.6000115.9
676A35.1Very low31.6Very low97 Ų97141.4 Ų141.480%0.80276%0.764SS**  trans-88.1142.5-171.300000116.1
677T28.8Very low30.9Very low144 Ų144141.8 Ų141.888%0.88378%0.776SS**  trans-140.3-176.916146.50000110.2
678T29.6Very low30.2Very low123 Ų123145.8 Ų145.876%0.75579%0.789SS**  trans-120.2161.4-14941.70000117.9
679N28.2Very low29.3Very low145 Ų145147.6 Ų147.678%0.77580%0.8SS**  trans93144148.5-82.7-30.4000122.8
680Q26.5Very low28.7Very low183 Ų183147.1 Ų147.186%0.85580%0.8SS**  trans64.5126.8165.4-65.3168.3-1.200117
681A25.1Very low28.3Very low88 Ų88148.9 Ų148.973%0.72781%0.805SS**  cis100.7116.915.800000116.1
682F24.8Very low28.6Very low213 Ų213144.3 Ų144.393%0.93480%0.801SS**  trans-169.7156.9149.6-112.4-71.2000113.5
683A25.5Very low28.2Very low81 Ų81141.5 Ų141.567%0.66980%0.8SS**  trans17.2134.8166.600000121.4
684S24.7Very low27.8Very low117 Ų117140.1 Ų140.182%0.81880%0.801SS**  cis82.3104.830.2-52.20000117.2
685K25.4Very low27.4Very low211 Ų211138 Ų13892%0.91780%0.8SS**  trans-169.8142.3132.7-110.9175.3-177.4-178.80113.1
686E23.6Very low27.4Very low188 Ų188137.7 Ų137.788%0.87980%0.798SS**  trans-107.4160.4170.5-63.9166.1117.500110.3
687V26.3Very low27Very low151 Ų151139.9 Ų139.992%0.91580%0.796SS**  trans-142.3145.1159-1800000108.1
688D24.3Very low26.8Very low143 Ų143141.2 Ų141.277%0.76579%0.791SS**  trans-126.7-164.2-166.6-166.1-7.8000110.9
689V24.8Very low26.6Very low127 Ų127139 Ų13977%0.7779%0.785SS**  trans112.678.3161-170.30000117.7
690C25.4Very low26.5Very low95 Ų95139.1 Ų139.164%0.64279%0.791SS**  40.1121.1114.3-72.90000124.6
691K25.5Very low26.4Very low196 Ų196134.4 Ų134.485%0.85278%0.778SS**  58.3171.1118.9-80.4178.5178.4172.70121.4
692P43.5Very low26.5Very low113 Ų113137.9 Ų137.973%0.73478%0.784SS**  cis-116.7-137.40.630.8-6.6000111.9
693L25.3Very low26.4Very low167 Ų167131.1 Ų131.187%0.87478%0.775SS**  cis-163.4167.1-0.5-139.2-177.2000109.6
694G23.7Very low27.1Very low63 Ų63133.3 Ų133.365%0.64978%0.783SS**  trans125.2126.9156.100000118.3
695V24.2Very low27.3Very low138 Ų138132.2 Ų132.284%0.83678%0.781SS**  trans-158.3134.9-174.3177.80000107.1
696P36.1Very low28.2Very low108 Ų108127.6 Ų127.670%0.70177%0.772SS**  -164.4154.877.143.9-20.9000122.6
697L25.7Very low29.5Very low144 Ų144124.3 Ų124.375%0.75477%0.767SS**  trans64.5148.8132.4-71.8170.5000127.4
698H25.2Very low30.6Very low172 Ų172122.7 Ų122.780%0.79676%0.76SS**  trans72.1152.2157.7-67.8-66.2000121.3
699A25.4Very low30.8Very low76 Ų76120.2 Ų120.263%0.62876%0.759SS**  cis-179.1157.4-35.600000112
700V25.4Very low31.1Very low148 Ų148120.9 Ų120.990%0.89776%0.763SS**  trans69.1149.9154.61570000117.6
701S24.7Very low31.3Very low83 Ų83123.9 Ų123.958%0.5877%0.772SS**  cis-173.9154.2-21.8-174.80000112.6
702N26.9Very low32.3Very low161 Ų161120 Ų12086%0.86177%0.767SS**  trans57.4155.7155.8-66.6-12.1000124.1
703G23.6Very low31.7Very low71 Ų71119 Ų11973%0.73277%0.768SS**  trans-108.7-146.8166.900000112.5
704P40.4Very low32Very low128 Ų128116 Ų11683%0.83177%0.767SS**  cis-146.1175.80.444.9-26.1000118.6
705A27.3Very low32.3Very low94 Ų94117.1 Ų117.178%0.77777%0.77SS**  trans77.4-170.7148.200000121.2
706P45.4Very low32.5Very low114 Ų114117.4 Ų117.474%0.7477%0.772SS**  -132.6-148.4-117.541.5-18.3000114.8
707P51.2Low32.3Very low118 Ų118119.8 Ų119.877%0.76678%0.778SS**  cis-119.3-123.5-38.425.4-0.6000114.2
708P47.8Very low33.2Very low118 Ų118118.7 Ų118.777%0.76678%0.78SS**  -118.8-179.2-97.239.5-23.8000117.5
709A30Very low33.4Very low90 Ų90114.5 Ų114.574%0.74478%0.775SS**  trans155.5134.1130.500000119.9
710V30.8Very low33.7Very low142 Ų142122 Ų12286%0.86179%0.788SS**  trans76.5156.3136.5175.80000123.2
711L28.9Very low34Very low158 Ų158119.6 Ų119.683%0.82778%0.778SS**  trans-110.7-158.6-172.5-58.9168.2000110.9
712P47.7Very low34.2Very low115 Ų115121.7 Ų121.775%0.74779%0.787SS**  cis-146.6177.7-4.645.8-26.1000119.9
713A29.3Very low34.6Very low92 Ų92121.8 Ų121.876%0.7679%0.787SS**  trans75.5139.5137.600000127.1
714A31.5Very low35.8Very low102 Ų102123.9 Ų123.984%0.84379%0.788SS**  trans74.1151.8143.400000122.4
715A30.2Very low35.3Very low88 Ų88125.7 Ų125.773%0.72779%0.79SS**  cis-172.4173.1-23.100000113.7
716V29.4Very low35.3Very low143 Ų143128.8 Ų128.887%0.86779%0.79SS**  trans84.6148.9156.7175.90000121.4
717L31.5Very low35.4Very low158 Ų158129.2 Ų129.283%0.82779%0.793SS**  trans-128.2170.1178.6-64.8170000110.9
718P44.6Very low34.4Very low122 Ų122126.6 Ų126.679%0.79279%0.788SS**  -160.3157.799.839.9-19.7000120.7
719A28.8Very low33.6Very low84 Ų84130.7 Ų130.769%0.69479%0.794SS**  trans61.5128.8141.200000126.8
720Y31.2Very low33.7Very low232 Ų232133.7 Ų133.791%0.9180%0.797SS**  trans23.6155.7136.8-62.2-69.2000123.9
721S31.7Very low33.5Very low98 Ų98130.4 Ų130.469%0.68579%0.791SS**  cis-158-155.1-5.146.90000109.5
722T29Very low33.8Very low127 Ų127126.9 Ų126.978%0.77979%0.785SS**  cis-160.7-159.915-26.40000111.2
723L36.9Very low33.9Very low163 Ų163127.1 Ų127.185%0.85379%0.786SS**  trans-133.8164.9176.8-67.8175.3000112.5
724P47.5Very low33.9Very low116 Ų116130.8 Ų130.875%0.75379%0.787SS**  -161.3171.6106.642.4-23000120.6
725L30Very low34.8Very low165 Ų165131.5 Ų131.586%0.86478%0.783SS**  trans84.9146.8142.6-85.8159.4000125.3
726M28.6Very low35.4Very low160 Ų160132.7 Ų132.779%0.78878%0.784SS**  trans-161.4148.8-177.3-110.2-71.5120.100110.4
727P47.2Very low35.3Very low122 Ų122130.5 Ų130.579%0.79278%0.78SS**  -152.3-169.399.339.2-19.5000113.4
728G29.7Very low35.1Very low64 Ų64127.6 Ų127.666%0.6678%0.779SS**  cis155.5162.1-9.900000113.9
729F31.6Very low34.2Very low203 Ų203128.5 Ų128.589%0.8978%0.783SS**  trans64.8136.7175.8-76.3-102.5000119.3
730L30.6Very low34.5Very low154 Ų154130.8 Ų130.881%0.80679%0.791SS**  cis-161139.7-20.4-141.2-168.7000110.4
731G27.8Very low34.1Very low72 Ų72125.7 Ų125.774%0.74279%0.789SS**  trans168.9137.5169.700000112.6
732A35.7Very low33.8Very low85 Ų85126.6 Ų126.670%0.70280%0.795SS**  trans-161.1174-168.100000112.2
733P49.3Very low33.6Very low119 Ų119127.4 Ų127.477%0.77380%0.799SS**  cis-133161.7-0.139.2-21.6000118.7
734H30.2Very low33Very low170 Ų170125.2 Ų125.279%0.78779%0.793SS**  trans-37.7-174.1158.5-50.4-75.6000119.6
735P49Very low32Very low117 Ų117129.1 Ų129.176%0.7680%0.801SS**  cis-134.5-150.1-1.331.5-6.1000113.9
736P43Very low31.8Very low113 Ų113125.2 Ų125.273%0.73479%0.792SS**  -112.1170.1-7037.3-22.8000112.3
737A26.8Very low31.7Very low96 Ų96126 Ų12679%0.79379%0.793SS**  cis74.9138.434.400000115.4
738A27.6Very low30.7Very low97 Ų97127.1 Ų127.180%0.80280%0.798SS**  cis-167.4167.3-14.300000110.7
739T25.3Very low30.6Very low141 Ų141128.5 Ų128.587%0.86580%0.804SS**  trans-146.8142.7169.348.20000113.8
740P35.1Very low30.4Very low133 Ų133123.2 Ų123.286%0.86480%0.797SS**  trans-110.5172.7170.839.5-31.9000114.1
741S24.1Very low30.4Very low124 Ų124121.9 Ų121.987%0.86780%0.796SS**  trans-102.2168.6-173.5520000115.2
742S24.2Very low30.4Very low117 Ų117125.1 Ų125.182%0.81880%0.796SS**  trans-114.1169.8-177.557.20000113.7
743V25.7Very low29.9Very low144 Ų144132.5 Ų132.587%0.87381%0.806SS**  trans-119.9153.5-176.4175.60000111.8
744T24.1Very low28.9Very low118 Ų118134.3 Ų134.372%0.72481%0.809SS**  trans-69.6150.1-167.4-20.60000116.5
745H25.9Very low28.8Very low198 Ų198131.7 Ų131.792%0.91781%0.806SS**  -161.8161.9129.2-110.3-77.4000110.7
746A26Very low27.7Very low82 Ų82136.3 Ų136.368%0.67881%0.809SS**  trans-130.8147.9-160.300000117
747H28Very low26.9Very low176 Ų176141.5 Ų141.582%0.81582%0.816SS**  trans5.8136162.9-58.3-75.8000123.1
748T25.4Very low26.9Very low146 Ų146147.2 Ų147.290%0.89682%0.818SS**  -176.5151.7113.523.90000108.8
749A28.2Very low26.8Very low94 Ų94150.3 Ų150.378%0.77782%0.821SS**  cis-151.8156.6-19.700000108.1
750A27.3Very low27.1Very low91 Ų91151.6 Ų151.675%0.75282%0.817SS**  trans-89.2166.1177.500000112.5
751T30.8Very low26.8Very low127 Ų127151.3 Ų151.378%0.77981%0.813SS**  trans-148.2117.4163-52.20000109.2
752D26.2Very low27.1Very low140 Ų140156.6 Ų156.675%0.74982%0.815SS**  trans-71.2150.6-178.2-61.3-84.3000112.9
753W26.8Very low27.3Very low240 Ų240154.7 Ų154.791%0.90981%0.813SS**  trans-130.734.9168.6-140.1-91.9000113.2
754N27.9Very low27.5Very low156 Ų156156.2 Ų156.283%0.83482%0.815SS**  trans-10778.5-176.6-133.4-13.1000110.9
755T26.8Very low27.9Very low116 Ų116158.3 Ų158.371%0.71281%0.814SS**  trans-150.5152.2170.4-57.40000108.7
756Y25.7Very low28Very low214 Ų214160.6 Ų160.684%0.83981%0.814SS**  trans74.756.3-173.3-60.3-77.2000116.7
757Y27.9Very low28Very low221 Ų221162.2 Ų162.287%0.86781%0.811SS**  -112.9152.7129.8-109.2-101.6000109.3
758Y26.9Very low27.9Very low216 Ų216164.7 Ų164.785%0.84782%0.815SS**  trans62.494.4-171.7-73.6-86.5000117.3
759N24.3Very low28.3Very low162 Ų162163.2 Ų163.287%0.86681%0.808SS**  -155.7154102.9-129.8-41.8000112.7
760Q31Very low28.3Very low168 Ų168167 Ų16779%0.78581%0.81SS**  trans-103.5158.1169-70.6-175.9-5.100109.9
761T30.6Very low28.3Very low127 Ų127170.1 Ų170.178%0.77981%0.813SS**  174.8163.7124.2300000113.8
762R29.8Very low28.1Very low236 Ų236168.7 Ų168.789%0.89181%0.814SS**  trans68106158.9-72163.5-170.8-152.91.2118.2
763G27.4Very low28.3Very low77 Ų77168.3 Ų168.379%0.79482%0.817SS**  trans-86.5167.8154.700000112.3
764I31.4Very low28.2Very low175 Ų175166.3 Ų166.390%0.89782%0.817SS**  trans-128144.5173.4-66.8-179.5000109.5
765K32.1Very low28.1Very low163 Ų163167 Ų16771%0.70982%0.816SS**  trans-72.8147.5-169.8-162.7-168.8-169.2-138.90113.4D767K765-D767 WeakPolarHBondContact CE-OD1 3.43Å; K765-D767 IonicContact NZ-OD1 3.86Å; K765-D767 PolarHBondContact NZ-OD1 2.82Å
766R27.3Very low28.2Very low246 Ų246165.9 Ų165.993%0.92882%0.818SS**  trans-151.7148.3150.3-109.4172.2-175.3141.94.1109.7
767D26.5Very low28.7Very low115 Ų115161.4 Ų161.462%0.61582%0.815SS**PPolyproline II helixtrans-98.9161.6-152.6-53.8-95.9000114.9K765K765-D767 WeakPolarHBondContact CE-OD1 3.43Å; K765-D767 IonicContact NZ-OD1 3.86Å; K765-D767 PolarHBondContact NZ-OD1 2.82Å
768Y26.1Very low29.4Very low228 Ų228157.2 Ų157.289%0.89482%0.815SS**PPolyproline II helixtrans-98.8137.4176.3-109.7-92000111
769P33.7Very low29.6Very low116 Ų116152.6 Ų152.675%0.75381%0.814SS**PPolyproline II helixtrans-85.1161.4151.534.4-30.2000111
770Q27.2Very low29.8Very low172 Ų172154.5 Ų154.580%0.80482%0.818SS**  trans-129.4167.2-165.2-169.5179.2-26.300111.9
771L27.5Very low29.8Very low157 Ų157150.2 Ų150.282%0.82282%0.819SS**  trans79.9151.1173.6-47.3172.6000114.6
772A27Very low29.9Very low98 Ų98149 Ų14981%0.8182%0.822SS**  cis-138.7175.34.800000112.7
773V31.5Very low29.9Very low132 Ų132148.9 Ų148.980%0.882%0.823SS**  trans-104.7147.3178.4172.80000110.7
774Q24.8Very low30.1Very low197 Ų197152.3 Ų152.392%0.92182%0.822SS**  trans-152.2157.3153.7-146.5159.418.900111.8
775E25.7Very low30.1Very low172 Ų172147.2 Ų147.280%0.80481%0.812SS**  trans-117.2153.1-162.4-63.2171.890.900114.9
776A28Very low30Very low92 Ų92148.8 Ų148.876%0.7682%0.822SS**  trans61.4177.2150.700000118.2
777P36.8Very low30.1Very low120 Ų120145.8 Ų145.878%0.77982%0.818SS**  cis-117.2178-17.413.511.3000113.3
778P42.8Very low30.4Very low133 Ų133146.2 Ų146.286%0.86483%0.83SS**  trans-91.4165.6176.537.2-35.6000114
779S30.2Very low30.8Very low118 Ų118144.7 Ų144.783%0.82583%0.831SS**  trans-147.3139.5167.661.80000112.1
780E28.9Very low30.7Very low202 Ų202142.9 Ų142.994%0.94483%0.834SS**  trans-73164.5176.3-63.4174.299.400113.1
781G30.9Very low31Very low78 Ų78143.3 Ų143.380%0.80484%0.841SS**  trans17882.817500000113.3
782A32.5Very low31.1Very low103 Ų103139.8 Ų139.885%0.85184%0.842SS**  trans-80.4135.6171.600000110.9
783Y28.9Very low31.3Very low233 Ų233138.9 Ų138.991%0.91484%0.843SS**  trans-145.3150.8162.4-151.9-100.2000112.7
784I32.5Very low31.3Very low149 Ų149141.8 Ų141.876%0.76485%0.847SS**  trans-92.9141.6-172.9-71.1165.1000109.9
785G30.2Very low31.5Very low67 Ų67143.5 Ų143.569%0.69185%0.847SS**  trans-79.3163-178.400000114.3
786Q30.6Very low31.8Very low197 Ų197138.7 Ų138.792%0.92184%0.837SS**  trans-134151.9160.1-78.3-159-16.800111.1
787H30.1Very low32.1Very low183 Ų183141.6 Ų141.685%0.84784%0.839SS**  trans-76.1146.8176.7-76.8-123.4000111.7
788S31.9Very low31.8Very low123 Ų123146.8 Ų146.886%0.8685%0.845SS**  trans-145.6135.9147.238.10000109.3
789Q35.8Very low31.5Very low196 Ų196150.5 Ų150.592%0.91685%0.848SS**  trans-90.2136.2179.2-67.9176.1-12.300109.6
790G31.5Very low31.8Very low79 Ų79154 Ų15481%0.81485%0.848SS**  trans-143.1128.5176.400000110.9
791L32.9Very low32.1Very low181 Ų181155.9 Ų155.995%0.94885%0.847SS**  trans-90.7139.8-177.7-79.8162000112
792G29.8Very low32.2Very low83 Ų83162.2 Ų162.286%0.85685%0.852SS**  trans92.7121.5158.400000115.8
793G30.4Very low32.3Very low79 Ų79169 Ų16981%0.81486%0.856SS**  trans176.9111171.800000111.8
794Q32.3Very low32.6Very low192 Ų192169.6 Ų169.690%0.89787%0.873SS**  trans-76.4136.2167.2-64.5167.5-32.400108.9
795Y28.5Very low32.6Very low233 Ų233170.6 Ų170.691%0.91488%0.879SS**  trans-146133.6154-111.7-79.4000111.6
796A32.1Very low32.8Very low71 Ų71176.1 Ų176.159%0.58789%0.889SS**  trans-92.2-172167.300000110.3
797D35.4Very low32.9Very low153 Ų153174.9 Ų174.982%0.81889%0.887SS**  trans61.177161.1-62.4-37.1000118.4
798Y30.5Very low33Very low229 Ų229174.4 Ų174.490%0.89889%0.889SS**  trans-123.341.1157.9-107.8-81.9000114.9
799F36.1Very low33.1Very low211 Ų211177.6 Ų177.693%0.92589%0.891SS**  trans-112.656.3171.4-104.2-74.1000112.8
800K37Very low32.9Very low191 Ų191176.4 Ų176.483%0.8389%0.89SS**  trans-164.872173-114.8163.3-169.6175.60116.3
801R34.4Very low33Very low243 Ų243183.4 Ų183.492%0.91790%0.895SS**  trans-179.4106.9142.3-107.8165.9-75-170.4-1114.5
802K32.7Very low33.1Very low211 Ų211183.5 Ų183.592%0.91789%0.891SS**  -174.998.5120.2-105.6-175.4174.9-175.10110.5
803R34.5Very low33.3Very low245 Ų245191.9 Ų191.993%0.92589%0.894SS**  trans-14483.1152.5-176.2-173.2-79.6-170.2-4.7106.8
804L36.3Very low33.6Very low245 Ų245202.2 Ų202.2100%1.28390%0.901SS**  trans-132.90156.1-81.1169.7000103.4

Retrieved 804 of 804 residues in 167.1 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).