A0A087YQC8_POEFO Loading...

Histone deacetylase 8

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes. Also involved in the deacetylation of cohesin complex protein SMC3 regulating release of cohesin complexes from chromatin. May play a role in smooth muscle cell contractility. In addition to protein deacetylase activity, also has protein-lysine deacylase activity: acts as a protein decrotonylase by mediating decrotonylation ((2E)-butenoyl) of histones.

AlphaFold DB , UniProt , Accession A0A087YQC8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low39.4Very low250 Ų250148.4 Ų148.4100%1.23279%0.793SS**  093.80-78.4170.2155.200106.7
2S30.3Very low42.9Very low116 Ų116152.3 Ų152.381%0.81180%0.798SS**  trans-86.1124.5-176.8-172.40000108.6R4S2-R4 PolarHBondContact O-N 2.74Å
3A36.1Very low46.7Very low90 Ų90145 Ų14574%0.74475%0.753SS**  trans-56.1125.8165.200000108.2E5A3-E5 PolarHBondContact O-N 3.16Å
4R34.9Very low50.4Low236 Ų236143 Ų14389%0.89173%0.731SS**  trans-84.4105.9166.5-77.6-178.8176.3-179.9-2106.2S2 H6S2-R4 PolarHBondContact O-N 2.74Å; R4-H6 PolarHBondContact O-N 2.78Å
5E35.4Very low53.6Low185 Ų185133.7 Ų133.786%0.86468%0.684SS**  trans-51.5119.5159.2-69.1169.3158.500107.4A3 S7A3-E5 PolarHBondContact O-N 3.16Å; E5-S7 VanDerWaalsContact C-N 3.34Å; E5-S7 PolarHBondContact O-N 2.87Å; E5-S7 VanDerWaalsContact O-N 3.1Å
6H33.5Very low56.4Low186 Ų186125.6 Ų125.686%0.86164%0.643SS**  trans-70.898.5163.5-88.323.6000106.3R4 D8R4-H6 PolarHBondContact O-N 2.78Å; H6-D8 PolarHBondContact O-N 2.81Å
7S36Very low58.9Low93 Ų93118.5 Ų118.565%0.6561%0.606SS**  trans-61.3115167.652.20000108.5E5 E9E5-S7 VanDerWaalsContact C-N 3.34Å; E5-S7 PolarHBondContact O-N 2.87Å; E5-S7 VanDerWaalsContact O-N 3.1Å; S7-E9 PolarHBondContact O-N 3.11Å
8D42.8Very low61.2Low159 Ų159112 Ų11285%0.8557%0.573SS**  trans-69.768.7169.5-165.515.5000109.3H6 S10H6-D8 PolarHBondContact O-N 2.81Å; D8-S10 PolarHBondContact O-N 2.83Å
9E41.7Very low63.1Low170 Ų170108.6 Ų108.679%0.79455%0.553SS**  trans-91.273.3168.5-80.9-164.915500108.5S7 S11S7-E9 PolarHBondContact O-N 3.11Å; E9-S11 VanDerWaalsContact C-N 3.33Å; E9-S11 PolarHBondContact O-N 3.44Å
10S49.9Very low64.9Low74 Ų74103.6 Ų103.652%0.51753%0.528SS..  trans-63.5107.3148.886.10000105.4D8 K12D8-S10 PolarHBondContact O-N 2.83Å; S10-K12 PolarHBondContact O-N 2.68Å
11S56.5Low66.5Low73 Ų73102.4 Ų102.451%0.5153%0.527SS..  trans-55.2133.2179.485.30000107.8E9 R13E9-S11 VanDerWaalsContact C-N 3.33Å; E9-S11 PolarHBondContact O-N 3.44Å; S11-R13 VanDerWaalsContact C-N 3.33Å; S11-R13 PolarHBondContact O-N 2.72Å
12K81.9Confident69.4Low196 Ų19695 Ų9585%0.85249%0.489SS*.  trans-65.894.7-175.4-165.3178.2-175.9-1780108.4S10S10-K12 PolarHBondContact O-N 2.68Å
13R92.2Very high72.7Confident57 Ų5789.9 Ų89.922%0.21545%0.452CS..  trans-58.5137.2-177.8-64.8-178.4-178.587.20.3110.1S11 V15 L291S11-R13 VanDerWaalsContact C-N 3.33Å; S11-R13 PolarHBondContact O-N 2.72Å; R13-V15 HydrophobicContact CB-CG2 4.44Å; R13-L291 PolarHBondContact NH2-O 2.82Å
14R98Very high75.6Confident117 Ų11786.2 Ų86.244%0.44242%0.42SS..  trans-82.8118.2170.9-60.3174-61.9153.47.3108Q128 C130 D131 V132R14-Q128 PolarHBondContact NH1-O 3.12Å; R14-Q128 PolarHBondContact NH2-O 2.78Å; R14-Q128 VanDerWaalsContact NH2-O 3.12Å; R14-C130 WeakPolarHBondContact O-CB 3.28Å; R14-D131 WeakPolarHBondContact CB-OD2 3.46Å; R14-D131 IonicContact CZ-OD1 2.81Å; R14-D131 PolarHBondContact N-OD2 2.91Å; R14-D131 IonicContact NE-OD1 3.44Å; R14-D131 PolarHBondContact NE-OD1 3.22Å; R14-D131 IonicContact NE-OD2 3.96Å; R14-D131 PolarHBondContact NE-OD2 3.48Å; R14-D131 IonicContact NH2-OD1 2.83Å; R14-D131 PolarHBondContact NH2-OD1 2.76Å; R14-D131 PolarHBondContact O-N 3Å; R14-V132 PolarHBondContact O-N 3Å
15V98.8Very high78.6Confident4 Ų481.9 Ų81.92%0.02441%0.41CS..EExtended strand (participates in β ladder)trans-112.7126.7-175.6-176.10000109.6R13 M53 S54 V132 I134 V321 L322R13-V15 HydrophobicContact CB-CG2 4.44Å; V15-M53 HydrophobicContact CB-CG 4.02Å; V15-M53 HydrophobicContact CG1-CG 3.88Å; V15-M53 HydrophobicContact CG1-SD 3.89Å; V15-M53 WeakPolarHBondContact O-CA 3.46Å; V15-S54 PolarHBondContact O-N 3.39Å; V15-V132 CarbonylContact C-O 3.38Å; V15-V132 VanDerWaalsContact CA-O 3.31Å; V15-V132 WeakPolarHBondContact CA-O 3.28Å; V15-I134 HydrophobicContact CG1-CD1 3.63Å; V15-I134 HydrophobicContact CG1-CG1 4.17Å; V15-V321 HydrophobicContact CG1-CG1 4.3Å; V15-V321 HydrophobicContact CG2-CG1 3.65Å; V15-L322 HydrophobicContact CB-CD2 4.19Å; V15-L322 HydrophobicContact CG2-CD2 3.81Å
16A98.9Very high81.5Confident3 Ų375.1 Ų75.13%0.02538%0.381CS..EExtended strand (participates in β ladder)trans-96.8133.9166.300000109.6S54 V56 C124 C130 V132 A133 I134A16-S54 CarbonylContact C-O 3.58Å; A16-S54 WeakPolarHBondContact CA-O 3.32Å; A16-V56 HydrophobicContact CB-CG2 4.25Å; A16-C124 HydrophobicContact CB-CB 4.35Å; A16-C130 HydrophobicContact CB-CB 3.85Å; A16-V132 PolarHBondContact N-O 3.45Å; A16-A133 HydrophobicContact CB-CB 4.31Å; A16-A133 CarbonylContact O-C 3.54Å; A16-A133 WeakPolarHBondContact O-CA 3.37Å; A16-I134 PolarHBondContact O-N 3.32Å
17Y98.9Very high84.5Confident5 Ų566.6 Ų66.62%0.0234%0.343CS..EExtended strand (participates in β ladder)trans-117.6116.1175176.5-118.8000108.7Y19 H41 I44 L50 M53 S54 V55 V56 I134 W136Y17-Y19 HydrophobicContact CE1-CD2 4.38Å; Y17-Y19 HydrophobicContact CE1-CG 4.06Å; Y17-Y19 PolarHBondContact O-N 2.96Å; Y17-H41 AromaticContact CE1-ND1 3.71Å; Y17-H41 PolarHBondContact OH-ND1 3.19Å; Y17-I44 HydrophobicContact CE2-CD1 4.24Å; Y17-L50 HydrophobicContact CD1-CD2 3.83Å; Y17-L50 HydrophobicContact CE1-CD2 3.84Å; Y17-M53 HydrophobicContact CD1-CE 4.2Å; Y17-M53 HydrophobicContact CG-CE 3.99Å; Y17-M53 HydrophobicContact CG-SD 4.32Å; Y17-S54 PolarHBondContact N-O 2.82Å; Y17-V55 HydrophobicContact CD1-CG2 4.48Å; Y17-V55 WeakPolarHBondContact O-CA 3.4Å; Y17-V56 PolarHBondContact O-N 2.96Å; Y17-I134 HydrophobicContact CD2-CB 4.16Å; Y17-I134 HydrophobicContact CD2-CG2 3.97Å; Y17-I134 HydrophobicContact CE2-CG2 4.35Å; Y17-W136 AromaticContact CE2-CD1 3.8Å
18I98.9Very high87.3Confident2 Ų263.1 Ų63.11%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-80.7114.8-176.8-54.7-47.8000109.1V56 P58 A117 T120 A121 I134 N135I18-V56 WeakPolarHBondContact CA-O 3.37Å; I18-V56 HydrophobicContact CD1-CB 3.85Å; I18-V56 HydrophobicContact CD1-CG1 4.22Å; I18-P58 HydrophobicContact CG2-CB 3.59Å; I18-P58 HydrophobicContact CG2-CG 3.93Å; I18-A117 HydrophobicContact CG2-CB 3.8Å; I18-T120 HydrophobicContact CD1-CG2 4.15Å; I18-A121 HydrophobicContact CD1-CB 4.19Å; I18-A121 HydrophobicContact CG1-CB 3.75Å; I18-I134 WeakPolarHBondContact CG1-O 3.33Å; I18-I134 PolarHBondContact N-O 3.45Å; I18-N135 HydrophobicContact CB-CB 4.25Å; I18-N135 HydrophobicContact CG1-CB 4.32Å
19Y98.8Very high89.6Confident48 Ų4859.8 Ų59.819%0.18830%0.302CS..  trans-161.9140.4-175.6164.9-90.6000111.5Y17 P21 I24 H41 V55 V56 K57Y17-Y19 HydrophobicContact CE1-CD2 4.38Å; Y17-Y19 HydrophobicContact CE1-CG 4.06Å; Y17-Y19 PolarHBondContact O-N 2.96Å; Y19-P21 HydrophobicContact CE1-CG 4.47Å; Y19-I24 HydrophobicContact CD2-CD1 4.01Å; Y19-I24 HydrophobicContact CD2-CG1 3.43Å; Y19-I24 VanDerWaalsContact CD2-CG1 3.43Å; Y19-I24 HydrophobicContact CE2-CB 4.41Å; Y19-I24 HydrophobicContact CE2-CD1 4.42Å; Y19-I24 HydrophobicContact CE2-CG1 3.44Å; Y19-I24 VanDerWaalsContact CE2-CG1 3.44Å; Y19-H41 HydrophobicContact CD2-CB 4.49Å; Y19-H41 AromaticContact CD2-CE1 3.51Å; Y19-H41 AromaticContact CD2-CG 3.73Å; Y19-H41 AromaticContact CD2-ND1 3.3Å; Y19-H41 VanDerWaalsContact CD2-ND1 3.3Å; Y19-H41 WeakPolarHBondContact CD2-ND1 3.46Å; Y19-H41 AromaticContact CE1-CE1 3.75Å; Y19-H41 AromaticContact CE1-NE2 3.95Å; Y19-H41 HydrophobicContact CE2-CB 4.33Å; Y19-H41 AromaticContact CE2-CD2 3.37Å; Y19-H41 WeakPolarHBondContact CE2-CD2 3.38Å; Y19-H41 AromaticContact CE2-CE1 3.19Å; Y19-H41 WeakPolarHBondContact CE2-CE1 3.47Å; Y19-H41 AromaticContact CE2-CG 3.39Å; Y19-H41 AromaticContact CE2-ND1 3.29Å; Y19-H41 VanDerWaalsContact CE2-ND1 3.29Å; Y19-H41 WeakPolarHBondContact CE2-ND1 3.48Å; Y19-H41 AromaticContact CE2-NE2 3.23Å; Y19-H41 WeakPolarHBondContact CE2-NE2 3.41Å; Y19-H41 AromaticContact CG-CE1 3.91Å; Y19-H41 AromaticContact CG-ND1 3.95Å; Y19-H41 AromaticContact CZ-CD2 3.78Å; Y19-H41 AromaticContact CZ-CE1 3.32Å; Y19-H41 AromaticContact CZ-ND1 3.93Å; Y19-H41 AromaticContact CZ-NE2 3.18Å; Y19-H41 PolarHBondContact OH-NE2 2.95Å; Y19-H41 VanDerWaalsContact OH-NE2 3.16Å; Y19-V55 HydrophobicContact CD1-CG1 3.73Å; Y19-V55 HydrophobicContact CG-CG1 4.42Å; Y19-V56 PolarHBondContact N-O 3.47Å; Y19-K57 WeakPolarHBondContact O-CA 3.41Å
20S98.6Very high91.8Very high7 Ų752 Ų525%0.04927%0.266CS..  trans-148.8159.9151.777.60000108.9E22 Y23 I24S20-E22 WeakPolarHBondContact CB-OE2 3.45Å; S20-E22 PolarHBondContact O-N 3.43Å; S20-E22 PolarHBondContact OG-OE2 3.21Å; S20-Y23 PolarHBondContact O-N 3.03Å; S20-Y23 VanDerWaalsContact O-N 3.14Å; S20-Y23 PolarHBondContact OG-N 3.45Å; S20-I24 PolarHBondContact O-N 3.33Å; S20-I24 VanDerWaalsContact O-N 3.09Å
21P98.2Very high93.5Very high79 Ų7951.8 Ų51.851%0.51327%0.265SS..Hα-helixtrans-53.8-41.9175.8-26.935.1000112.5Y19 Y23 I24 E25Y19-P21 HydrophobicContact CE1-CG 4.47Å; P21-Y23 VanDerWaalsContact C-N 3.34Å; P21-Y23 PolarHBondContact O-N 3.49Å; P21-I24 PolarHBondContact O-N 3.34Å; P21-E25 WeakPolarHBondContact O-CB 3.33Å; P21-E25 PolarHBondContact O-N 2.9Å
22E98Very high95Very high95 Ų9552.5 Ų52.544%0.44426%0.259SS..Hα-helixtrans-68.8-33.8-178.7-47.988.9167.500112.4S20 T26 K57S20-E22 WeakPolarHBondContact CB-OE2 3.45Å; S20-E22 PolarHBondContact O-N 3.43Å; S20-E22 PolarHBondContact OG-OE2 3.21Å; E22-T26 WeakPolarHBondContact O-CB 3.46Å; E22-T26 PolarHBondContact O-N 3.26Å; E22-T26 PolarHBondContact O-OG1 3.4Å; E22-K57 IonicContact OE1-NZ 3.95Å; E22-K57 PolarHBondContact OE1-NZ 2.9Å; E22-K57 IonicContact OE2-NZ 3.74Å; E22-K57 PolarHBondContact OE2-NZ 3.23Å
23Y98.4Very high95.4Very high9 Ų943.5 Ų43.54%0.03522%0.22CC..Hα-helixtrans-66.1-45.4175.2176.8-128.4000111.2S20 P21 T26 C27 P58 A113 V114 A117 N135 A137S20-Y23 PolarHBondContact O-N 3.03Å; S20-Y23 VanDerWaalsContact O-N 3.14Å; S20-Y23 PolarHBondContact OG-N 3.45Å; P21-Y23 VanDerWaalsContact C-N 3.34Å; P21-Y23 PolarHBondContact O-N 3.49Å; Y23-T26 WeakPolarHBondContact O-CB 3.46Å; Y23-T26 PolarHBondContact O-N 3.33Å; Y23-C27 WeakPolarHBondContact CE2-SG 3.46Å; Y23-C27 VanDerWaalsContact CZ-SG 3.53Å; Y23-C27 PolarHBondContact O-N 3.4Å; Y23-C27 PolarHBondContact O-SG 3.28Å; Y23-P58 HydrophobicContact CD1-CG 3.84Å; Y23-P58 HydrophobicContact CD2-CG 4.08Å; Y23-P58 HydrophobicContact CG-CG 3.56Å; Y23-A113 HydrophobicContact CD2-CB 4.13Å; Y23-A113 HydrophobicContact CE2-CB 4.26Å; Y23-A113 WeakPolarHBondContact CE2-O 3.34Å; Y23-V114 HydrophobicContact CE2-CG2 4.33Å; Y23-A117 HydrophobicContact CD2-CB 4.4Å; Y23-A117 HydrophobicContact CE1-CB 3.85Å; Y23-A117 HydrophobicContact CE2-CB 3.68Å; Y23-A117 WeakPolarHBondContact OH-CB 3.49Å; Y23-N135 PolarHBondContact OH-ND2 2.92Å; Y23-N135 PolarHBondContact OH-OD1 3.36Å; Y23-A137 HydrophobicContact CE1-CB 4.03Å; Y23-A137 WeakPolarHBondContact OH-CB 3.46Å
24I97.8Very high95.4Very high13 Ų1343.7 Ų43.77%0.06723%0.228CC..Hα-helixtrans-65.2-44.8179-66.2-55.1000111.5Y19 S20 P21 T26 C27 D28 A37 S38Y19-I24 HydrophobicContact CD2-CD1 4.01Å; Y19-I24 HydrophobicContact CD2-CG1 3.43Å; Y19-I24 VanDerWaalsContact CD2-CG1 3.43Å; Y19-I24 HydrophobicContact CE2-CB 4.41Å; Y19-I24 HydrophobicContact CE2-CD1 4.42Å; Y19-I24 HydrophobicContact CE2-CG1 3.44Å; Y19-I24 VanDerWaalsContact CE2-CG1 3.44Å; S20-I24 PolarHBondContact O-N 3.33Å; S20-I24 VanDerWaalsContact O-N 3.09Å; P21-I24 PolarHBondContact O-N 3.34Å; I24-T26 VanDerWaalsContact C-N 3.26Å; I24-T26 PolarHBondContact O-N 3.17Å; I24-C27 PolarHBondContact O-N 2.96Å; I24-C27 VanDerWaalsContact O-N 3.08Å; I24-D28 PolarHBondContact O-N 2.86Å; I24-A37 HydrophobicContact CD1-CB 3.87Å; I24-A37 HydrophobicContact CG2-CB 4.1Å; I24-S38 WeakPolarHBondContact CG2-OG 3.26Å
25E96.7Very high95.3Very high145 Ų14542.2 Ų42.268%0.67823%0.229SC*.Hα-helixtrans-56.8-42.4175-176.1176.4-168.300111.3P21 D28P21-E25 WeakPolarHBondContact O-CB 3.33Å; P21-E25 PolarHBondContact O-N 2.9Å; E25-D28 PolarHBondContact O-N 3.13Å
26T96.2Very high95.2Very high42 Ų4242.4 Ų42.426%0.25823%0.23SC..Hα-helixtrans-63-45.8175.1-57.10000111.1E22 Y23 I24 D28 T29 A113E22-T26 WeakPolarHBondContact O-CB 3.46Å; E22-T26 PolarHBondContact O-N 3.26Å; E22-T26 PolarHBondContact O-OG1 3.4Å; Y23-T26 WeakPolarHBondContact O-CB 3.46Å; Y23-T26 PolarHBondContact O-N 3.33Å; I24-T26 VanDerWaalsContact C-N 3.26Å; I24-T26 PolarHBondContact O-N 3.17Å; T26-D28 VanDerWaalsContact C-N 3.29Å; T26-D28 PolarHBondContact O-N 3.49Å; T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 WeakPolarHBondContact O-CG2 3.41Å; T26-T29 PolarHBondContact O-N 3.02Å; T26-T29 PolarHBondContact O-OG1 3.22Å; T26-A113 HydrophobicContact CG2-CB 3.83Å
27C96.4Very high95.2Very high8 Ų842.9 Ų42.95%0.05423%0.234CC..Hα-helixtrans-66.1-29.9-178.4-71.50000113.7Y23 I24 T29 L30 A37 Y110 A137Y23-C27 WeakPolarHBondContact CE2-SG 3.46Å; Y23-C27 VanDerWaalsContact CZ-SG 3.53Å; Y23-C27 PolarHBondContact O-N 3.4Å; Y23-C27 PolarHBondContact O-SG 3.28Å; I24-C27 PolarHBondContact O-N 2.96Å; I24-C27 VanDerWaalsContact O-N 3.08Å; C27-T29 PolarHBondContact O-N 3.4Å; C27-L30 PolarHBondContact O-N 3.27Å; C27-A37 HydrophobicContact CB-CB 3.71Å; C27-Y110 HydrophobicContact CB-CE2 4.5Å; C27-A137 HydrophobicContact CB-CB 4.08Å; C27-A137 VanDerWaalsContact SG-CB 3.55Å
28D95.8Very high95.2Very high20 Ų2044.1 Ų44.111%0.10724%0.243CC..THydrogen-bonded Turntrans-75-8178.9-72-29000113.6I24 E25 T26 L30 N35 R36 A37 S38I24-D28 PolarHBondContact O-N 2.86Å; E25-D28 PolarHBondContact O-N 3.13Å; T26-D28 VanDerWaalsContact C-N 3.29Å; T26-D28 PolarHBondContact O-N 3.49Å; D28-L30 PolarHBondContact O-N 2.88Å; D28-N35 VanDerWaalsContact CG-CA 3.41Å; D28-N35 WeakPolarHBondContact OD1-CA 3.41Å; D28-R36 PolarHBondContact OD1-N 2.86Å; D28-A37 WeakPolarHBondContact OD1-CA 3.49Å; D28-A37 VanDerWaalsContact OD1-CB 3.26Å; D28-A37 WeakPolarHBondContact OD1-CB 3.35Å; D28-A37 PolarHBondContact OD1-N 3.22Å; D28-S38 PolarHBondContact OD1-N 2.69Å; D28-S38 WeakPolarHBondContact OD2-CB 3.26Å; D28-S38 PolarHBondContact OD2-N 3.46Å; D28-S38 PolarHBondContact OD2-OG 2.92Å
29T91.6Very high95.2Very high89 Ų8944.4 Ų44.455%0.54624%0.244SC..THydrogen-bonded Turntrans-70.5-17.2173.267.20000113.3T26 C27 S31T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 WeakPolarHBondContact O-CG2 3.41Å; T26-T29 PolarHBondContact O-N 3.02Å; T26-T29 PolarHBondContact O-OG1 3.22Å; C27-T29 PolarHBondContact O-N 3.4Å; T29-S31 PolarHBondContact O-N 3.47Å; T29-S31 VanDerWaalsContact O-N 3.09Å
30L88.3Confident95.2Very high6 Ų642.2 Ų42.23%0.03124%0.236CC..  trans-70.7108.2179.8-176.663.4000111.3C27 D28 K32 V33 Y110 W140 Y153C27-L30 PolarHBondContact O-N 3.27Å; D28-L30 PolarHBondContact O-N 2.88Å; L30-K32 PolarHBondContact O-N 3.27Å; L30-V33 HydrophobicContact CB-CG2 4.29Å; L30-V33 HydrophobicContact CD2-CG2 3.71Å; L30-V33 HydrophobicContact CG-CG2 4.11Å; L30-V33 CarbonylContact O-C 3.59Å; L30-V33 PolarHBondContact O-N 3.22Å; L30-V33 VanDerWaalsContact O-N 3.08Å; L30-Y110 HydrophobicContact CB-CD2 4.49Å; L30-Y110 HydrophobicContact CB-CE2 3.88Å; L30-Y110 HydrophobicContact CD2-CE1 4.44Å; L30-Y110 HydrophobicContact CD2-CE2 4.49Å; L30-Y110 WeakPolarHBondContact CD2-OH 3.34Å; L30-W140 HydrophobicContact CD2-CH2 3.26Å; L30-W140 HydrophobicContact CD2-CZ2 3.62Å; L30-W140 HydrophobicContact CD2-CZ3 3.91Å; L30-Y153 HydrophobicContact CD1-CE2 4.24Å
31S85Confident95.2Very high70 Ų7042.5 Ų42.549%0.4924%0.236SC..THydrogen-bonded Turntrans-55.1-25.8-173.763.40000116.3T29T29-S31 PolarHBondContact O-N 3.47Å; T29-S31 VanDerWaalsContact O-N 3.09Å
32K86.9Confident95.2Very high88 Ų8839.3 Ų39.338%0.38322%0.216SC..THydrogen-bonded Turntrans-78.5-22.3-178-63.8-70-179.6178.20113.4L30 F151L30-K32 PolarHBondContact O-N 3.27Å; K32-F151 HydrophobicContact CB-CD1 4.34Å; K32-F151 HydrophobicContact CB-CG 4.45Å; K32-F151 HydrophobicContact CD-CD1 4.05Å; K32-F151 HydrophobicContact CD-CE1 3.69Å; K32-F151 HydrophobicContact CD-CZ 4.22Å; K32-F151 HydrophobicContact CG-CD1 3.59Å; K32-F151 HydrophobicContact CG-CE1 3.78Å; K32-F151 HydrophobicContact CG-CG 4.15Å; K32-F151 HydrophobicContact CG-CZ 4.44Å
33V90.3Very high95.3Very high6 Ų634.8 Ų34.84%0.03620%0.195CC..SBendtrans-137.858.2-178.7-730000110.3L30 N35 R36 W140 Y305 L307L30-V33 HydrophobicContact CB-CG2 4.29Å; L30-V33 HydrophobicContact CD2-CG2 3.71Å; L30-V33 HydrophobicContact CG-CG2 4.11Å; L30-V33 CarbonylContact O-C 3.59Å; L30-V33 PolarHBondContact O-N 3.22Å; L30-V33 VanDerWaalsContact O-N 3.08Å; V33-N35 PolarHBondContact O-N 3.05Å; V33-R36 HydrophobicContact CB-CB 3.97Å; V33-R36 VanDerWaalsContact O-CB 3.28Å; V33-R36 WeakPolarHBondContact O-CB 3.46Å; V33-R36 PolarHBondContact O-N 2.71Å; V33-W140 HydrophobicContact CG2-CH2 4.14Å; V33-Y305 HydrophobicContact CG1-CD1 4.07Å; V33-Y305 HydrophobicContact CG1-CE1 4.43Å; V33-L307 HydrophobicContact CB-CD2 4.36Å; V33-L307 HydrophobicContact CG1-CD2 4.42Å
34P92.4Very high95.3Very high61 Ų6134.3 Ų34.340%0.39619%0.193SC..THydrogen-bonded Turntrans-63.1134.6-170.628.7-35.3000110.9R36 L307P34-R36 PolarHBondContact O-N 3.05Å; P34-L307 HydrophobicContact CG-CD1 4.4Å; P34-L307 WeakPolarHBondContact O-CD1 3.36Å
35N96.1Very high95.3Very high86 Ų8638.9 Ų38.946%0.4621%0.214SC..THydrogen-bonded Turntrans59.310.7179.4-55.1-33.5000115.5D28 V33 A37 S38 M39 F335D28-N35 VanDerWaalsContact CG-CA 3.41Å; D28-N35 WeakPolarHBondContact OD1-CA 3.41Å; V33-N35 PolarHBondContact O-N 3.05Å; N35-A37 VanDerWaalsContact C-N 3.31Å; N35-A37 PolarHBondContact O-N 3.33Å; N35-S38 PolarHBondContact O-N 2.7Å; N35-M39 WeakPolarHBondContact O-CB 3.34Å; N35-M39 PolarHBondContact O-N 2.88Å; N35-F335 HydrophobicContact CB-CE1 4.32Å
36R98.1Very high95.4Very high9 Ų933.5 Ų33.53%0.03419%0.194CC..Hα-helixtrans-64.4-38.5-178-169.2179.367.9164.72.8111.3D28 V33 P34 M39 V40 G302 G304 L307 T310D28-R36 PolarHBondContact OD1-N 2.86Å; V33-R36 HydrophobicContact CB-CB 3.97Å; V33-R36 VanDerWaalsContact O-CB 3.28Å; V33-R36 WeakPolarHBondContact O-CB 3.46Å; V33-R36 PolarHBondContact O-N 2.71Å; P34-R36 PolarHBondContact O-N 3.05Å; R36-M39 PolarHBondContact O-N 3.28Å; R36-V40 HydrophobicContact CG-CG2 4.42Å; R36-V40 WeakPolarHBondContact O-CB 3.44Å; R36-V40 WeakPolarHBondContact O-CG2 3.48Å; R36-V40 PolarHBondContact O-N 3.08Å; R36-G302 PolarHBondContact NH1-O 2.84Å; R36-G302 PolarHBondContact NH2-O 3.26Å; R36-G304 WeakPolarHBondContact CD-O 3.31Å; R36-G304 PolarHBondContact NH1-O 2.76Å; R36-G304 VanDerWaalsContact NH1-O 3.08Å; R36-L307 HydrophobicContact CB-CD2 4.05Å; R36-L307 HydrophobicContact CG-CD2 4.06Å; R36-T310 HydrophobicContact CG-CG2 4.27Å
37A98.3Very high95.6Very high13 Ų1333 Ų3311%0.10719%0.188CC..Hα-helixtrans-69-43-178.100000110.3I24 C27 D28 N35 H41I24-A37 HydrophobicContact CD1-CB 3.87Å; I24-A37 HydrophobicContact CG2-CB 4.1Å; C27-A37 HydrophobicContact CB-CB 3.71Å; D28-A37 WeakPolarHBondContact OD1-CA 3.49Å; D28-A37 VanDerWaalsContact OD1-CB 3.26Å; D28-A37 WeakPolarHBondContact OD1-CB 3.35Å; D28-A37 PolarHBondContact OD1-N 3.22Å; N35-A37 VanDerWaalsContact C-N 3.31Å; N35-A37 PolarHBondContact O-N 3.33Å; A37-H41 WeakPolarHBondContact O-CB 3.19Å; A37-H41 PolarHBondContact O-N 3.15Å
38S98.5Very high95.7Very high30 Ų3034.2 Ų34.221%0.2120%0.202CC..Hα-helixtrans-60.5-46.4171.8-76.10000112.5I24 D28 N35 V40 H41 S42I24-S38 WeakPolarHBondContact CG2-OG 3.26Å; D28-S38 PolarHBondContact OD1-N 2.69Å; D28-S38 WeakPolarHBondContact OD2-CB 3.26Å; D28-S38 PolarHBondContact OD2-N 3.46Å; D28-S38 PolarHBondContact OD2-OG 2.92Å; N35-S38 PolarHBondContact O-N 2.7Å; S38-V40 PolarHBondContact O-N 3.36Å; S38-H41 PolarHBondContact O-N 3.25Å; S38-S42 WeakPolarHBondContact O-CB 3.16Å; S38-S42 PolarHBondContact O-N 3.47Å
39M98.7Very high95.8Very high8 Ų833.4 Ų33.44%0.03920%0.198CC..Hα-helixtrans-62.2-43.4-178.9-173.9-179.1-77.400112.2N35 R36 L43 L307 A308 A311 F335 E338 Y339N35-M39 WeakPolarHBondContact O-CB 3.34Å; N35-M39 PolarHBondContact O-N 2.88Å; R36-M39 PolarHBondContact O-N 3.28Å; M39-L43 WeakPolarHBondContact O-CB 3.48Å; M39-L43 PolarHBondContact O-N 3.5Å; M39-L43 VanDerWaalsContact O-N 3.08Å; M39-L307 HydrophobicContact CE-CB 4.46Å; M39-L307 HydrophobicContact SD-CB 3.97Å; M39-A308 HydrophobicContact SD-CB 4.31Å; M39-A311 HydrophobicContact CG-CB 3.8Å; M39-A311 HydrophobicContact SD-CB 4.2Å; M39-F335 HydrophobicContact CB-CD1 4.44Å; M39-F335 HydrophobicContact CB-CD2 4.17Å; M39-F335 HydrophobicContact CB-CE2 4.47Å; M39-F335 HydrophobicContact CB-CG 4.16Å; M39-F335 HydrophobicContact CE-CB 3.99Å; M39-F335 HydrophobicContact CE-CD1 3.85Å; M39-F335 HydrophobicContact CE-CG 4.1Å; M39-F335 HydrophobicContact CG-CB 4.03Å; M39-F335 HydrophobicContact CG-CD2 4.38Å; M39-F335 HydrophobicContact CG-CG 4.08Å; M39-E338 HydrophobicContact CE-CB 3.66Å; M39-E338 HydrophobicContact CE-CG 3.58Å; M39-Y339 WeakPolarHBondContact CG-OH 3.35Å
40V98.9Very high96.1Very high3 Ų330.5 Ų30.52%0.01818%0.179CC..Hα-helixtrans-62.1-50.1175.4169.50000110.6R36 S38 L43 I44 W136 A311 W314R36-V40 HydrophobicContact CG-CG2 4.42Å; R36-V40 WeakPolarHBondContact O-CB 3.44Å; R36-V40 WeakPolarHBondContact O-CG2 3.48Å; R36-V40 PolarHBondContact O-N 3.08Å; S38-V40 PolarHBondContact O-N 3.36Å; V40-L43 PolarHBondContact O-N 3.32Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.39Å; V40-I44 PolarHBondContact O-N 2.87Å; V40-W136 HydrophobicContact CG1-CB 4.22Å; V40-W136 HydrophobicContact CG1-CG 4.22Å; V40-A311 HydrophobicContact CG2-CB 4.08Å; V40-W314 HydrophobicContact CB-CE3 4.31Å; V40-W314 HydrophobicContact CG1-CB 4.17Å; V40-W314 HydrophobicContact CG1-CE3 3.96Å; V40-W314 HydrophobicContact CG2-CE3 3.45Å; V40-W314 VanDerWaalsContact CG2-CE3 3.45Å; V40-W314 HydrophobicContact CG2-CZ3 3.93Å
41H98.8Very high96.6Very high13 Ų1335.5 Ų35.56%0.0621%0.211CC..Hα-helixtrans-61.3-48.4-179.1174.167.1000111.9Y17 Y19 A37 S38 L43 I44 E45Y17-H41 AromaticContact CE1-ND1 3.71Å; Y17-H41 PolarHBondContact OH-ND1 3.19Å; Y19-H41 HydrophobicContact CD2-CB 4.49Å; Y19-H41 AromaticContact CD2-CE1 3.51Å; Y19-H41 AromaticContact CD2-CG 3.73Å; Y19-H41 AromaticContact CD2-ND1 3.3Å; Y19-H41 VanDerWaalsContact CD2-ND1 3.3Å; Y19-H41 WeakPolarHBondContact CD2-ND1 3.46Å; Y19-H41 AromaticContact CE1-CE1 3.75Å; Y19-H41 AromaticContact CE1-NE2 3.95Å; Y19-H41 HydrophobicContact CE2-CB 4.33Å; Y19-H41 AromaticContact CE2-CD2 3.37Å; Y19-H41 WeakPolarHBondContact CE2-CD2 3.38Å; Y19-H41 AromaticContact CE2-CE1 3.19Å; Y19-H41 WeakPolarHBondContact CE2-CE1 3.47Å; Y19-H41 AromaticContact CE2-CG 3.39Å; Y19-H41 AromaticContact CE2-ND1 3.29Å; Y19-H41 VanDerWaalsContact CE2-ND1 3.29Å; Y19-H41 WeakPolarHBondContact CE2-ND1 3.48Å; Y19-H41 AromaticContact CE2-NE2 3.23Å; Y19-H41 WeakPolarHBondContact CE2-NE2 3.41Å; Y19-H41 AromaticContact CG-CE1 3.91Å; Y19-H41 AromaticContact CG-ND1 3.95Å; Y19-H41 AromaticContact CZ-CD2 3.78Å; Y19-H41 AromaticContact CZ-CE1 3.32Å; Y19-H41 AromaticContact CZ-ND1 3.93Å; Y19-H41 AromaticContact CZ-NE2 3.18Å; Y19-H41 PolarHBondContact OH-NE2 2.95Å; Y19-H41 VanDerWaalsContact OH-NE2 3.16Å; A37-H41 WeakPolarHBondContact O-CB 3.19Å; A37-H41 PolarHBondContact O-N 3.15Å; S38-H41 PolarHBondContact O-N 3.25Å; H41-L43 VanDerWaalsContact C-N 3.3Å; H41-L43 PolarHBondContact O-N 3.43Å; H41-I44 PolarHBondContact O-N 3.01Å; H41-E45 PolarHBondContact O-N 3.25Å
42S98.8Very high97.2Very high11 Ų1136.1 Ų36.18%0.07721%0.207CC..Hα-helixtrans-59.9-40.4-178.9-167.60000111.2S38 E45 A46 H333S38-S42 WeakPolarHBondContact O-CB 3.16Å; S38-S42 PolarHBondContact O-N 3.47Å; S42-E45 PolarHBondContact O-N 3.24Å; S42-A46 VanDerWaalsContact O-CB 3.26Å; S42-A46 WeakPolarHBondContact O-CB 3.15Å; S42-A46 PolarHBondContact O-N 3.04Å; S42-H333 PolarHBondContact OG-CD2 3.45Å
43L98.9Very high97.8Very high0 Ų032.9 Ų32.90%019%0.193CC..Hα-helixtrans-69.1-41.6176.3-168.566.5000112.4M39 V40 H41 E45 A46 Y47 A311 T315 I330 Y339 L345M39-L43 WeakPolarHBondContact O-CB 3.48Å; M39-L43 PolarHBondContact O-N 3.5Å; M39-L43 VanDerWaalsContact O-N 3.08Å; V40-L43 PolarHBondContact O-N 3.32Å; H41-L43 VanDerWaalsContact C-N 3.3Å; H41-L43 PolarHBondContact O-N 3.43Å; L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.81Å; L43-A46 PolarHBondContact O-N 2.95Å; L43-Y47 HydrophobicContact CD1-CD2 4.04Å; L43-Y47 HydrophobicContact CD1-CE2 3.75Å; L43-Y47 HydrophobicContact CD2-CE2 4.38Å; L43-Y47 HydrophobicContact CG-CD2 4Å; L43-Y47 HydrophobicContact CG-CE2 3.95Å; L43-Y47 WeakPolarHBondContact O-CD2 3.31Å; L43-Y47 PolarHBondContact O-N 3.02Å; L43-Y47 VanDerWaalsContact O-N 3.1Å; L43-A311 HydrophobicContact CD2-CB 4.18Å; L43-T315 HydrophobicContact CD2-CG2 4.29Å; L43-T315 WeakPolarHBondContact CD2-OG1 3.47Å; L43-T315 HydrophobicContact CG-CG2 4.14Å; L43-I330 HydrophobicContact CD1-CD1 3.92Å; L43-I330 HydrophobicContact CD1-CG2 3.84Å; L43-I330 HydrophobicContact CD2-CD1 4.19Å; L43-Y339 HydrophobicContact CD1-CE1 4.42Å; L43-Y339 HydrophobicContact CD2-CE1 3.78Å; L43-Y339 WeakPolarHBondContact CD2-OH 3.33Å; L43-L345 HydrophobicContact CD2-CD1 4.48Å
44I98.9Very high98.2Very high0 Ų036 Ų360%022%0.215CC..Hα-helixtrans-58.6-42.6174-71.8171.4000110.8Y17 V40 H41 L49 L50 M53 T315 T318Y17-I44 HydrophobicContact CE2-CD1 4.24Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.39Å; V40-I44 PolarHBondContact O-N 2.87Å; H41-I44 PolarHBondContact O-N 3.01Å; I44-L49 HydrophobicContact CG2-CB 3.92Å; I44-L49 HydrophobicContact CG2-CD1 4.35Å; I44-L49 WeakPolarHBondContact O-CB 3.3Å; I44-L49 PolarHBondContact O-N 3.19Å; I44-L50 HydrophobicContact CG2-CD2 3.9Å; I44-M53 HydrophobicContact CG2-CE 3.97Å; I44-T315 HydrophobicContact CG1-CG2 4.19Å; I44-T315 WeakPolarHBondContact CG1-OG1 3.43Å; I44-T318 HydrophobicContact CG2-CG2 4.39Å
45E98.8Very high98.5Very high108 Ų10836.4 Ų36.451%0.50522%0.216SC..Hα-helixtrans-64.7-46.2175.7-176.8172.2-128.400111.8H41 S42 L43 Y47 G48 L50H41-E45 PolarHBondContact O-N 3.25Å; S42-E45 PolarHBondContact O-N 3.24Å; L43-E45 VanDerWaalsContact C-N 3.28Å; L43-E45 PolarHBondContact O-N 2.81Å; E45-Y47 VanDerWaalsContact C-N 3.27Å; E45-Y47 PolarHBondContact O-N 2.82Å; E45-G48 WeakPolarHBondContact O-CA 3.42Å; E45-G48 PolarHBondContact O-N 3.47Å; E45-L50 HydrophobicContact CB-CD1 3.86Å; E45-L50 HydrophobicContact CB-CG 4.35Å; E45-L50 HydrophobicContact CG-CD1 3.82Å
46A98.8Very high98.6Very high32 Ų3234.2 Ų34.226%0.26421%0.206SC..Hα-helixtrans-60.5-34.3-178.400000113S42 L43 G48 P331 H333S42-A46 VanDerWaalsContact O-CB 3.26Å; S42-A46 WeakPolarHBondContact O-CB 3.15Å; S42-A46 PolarHBondContact O-N 3.04Å; L43-A46 PolarHBondContact O-N 2.95Å; A46-G48 PolarHBondContact O-N 2.85Å; A46-P331 HydrophobicContact CB-CB 4.1Å; A46-P331 HydrophobicContact CB-CG 4.43Å; A46-H333 HydrophobicContact CB-CB 3.74Å
47Y98.8Very high98.6Very high31 Ų3139.8 Ų39.812%0.12223%0.23CC..THydrogen-bonded Turntrans-77.6-0.3172.4-84.2-73.8000114.5L43 E45 T315 L326 S327 E329 I330 P331 L345L43-Y47 HydrophobicContact CD1-CD2 4.04Å; L43-Y47 HydrophobicContact CD1-CE2 3.75Å; L43-Y47 HydrophobicContact CD2-CE2 4.38Å; L43-Y47 HydrophobicContact CG-CD2 4Å; L43-Y47 HydrophobicContact CG-CE2 3.95Å; L43-Y47 WeakPolarHBondContact O-CD2 3.31Å; L43-Y47 PolarHBondContact O-N 3.02Å; L43-Y47 VanDerWaalsContact O-N 3.1Å; E45-Y47 VanDerWaalsContact C-N 3.27Å; E45-Y47 PolarHBondContact O-N 2.82Å; Y47-T315 HydrophobicContact CD2-CG2 3.62Å; Y47-T315 HydrophobicContact CE2-CG2 4.16Å; Y47-T315 HydrophobicContact CG-CG2 4.35Å; Y47-L326 HydrophobicContact CD1-CB 4.11Å; Y47-L326 HydrophobicContact CD1-CD1 4.24Å; Y47-L326 HydrophobicContact CD1-CD2 3.77Å; Y47-L326 HydrophobicContact CD1-CG 4.26Å; Y47-L326 HydrophobicContact CD2-CD1 4.37Å; Y47-L326 HydrophobicContact CE1-CB 3.95Å; Y47-L326 HydrophobicContact CE1-CD1 4.44Å; Y47-L326 HydrophobicContact CE1-CD2 4.46Å; Y47-L326 HydrophobicContact CG-CD1 4.19Å; Y47-L326 HydrophobicContact CG-CD2 4.04Å; Y47-S327 WeakPolarHBondContact CE1-O 3.32Å; Y47-S327 PolarHBondContact OH-O 3.46Å; Y47-S327 VanDerWaalsContact OH-O 3.09Å; Y47-E329 PolarHBondContact OH-O 3.07Å; Y47-I330 HydrophobicContact CE2-CD1 4.21Å; Y47-P331 HydrophobicContact CD1-CG 3.87Å; Y47-P331 HydrophobicContact CD2-CG 4.29Å; Y47-P331 HydrophobicContact CE1-CG 3.89Å; Y47-P331 HydrophobicContact CE2-CG 4.33Å; Y47-P331 HydrophobicContact CG-CG 4.1Å; Y47-L345 HydrophobicContact CE2-CD1 4.07Å
48G98.5Very high98.6Very high35 Ų3539.9 Ų39.936%0.36123%0.23SC..THydrogen-bonded Turntrans69.231.9178.400000113.5E45 A46 P51 H52E45-G48 WeakPolarHBondContact O-CA 3.42Å; E45-G48 PolarHBondContact O-N 3.47Å; A46-G48 PolarHBondContact O-N 2.85Å; G48-P51 WeakPolarHBondContact O-CD 3.47Å; G48-H52 PolarHBondContact O-CD2 3.19Å
49L98.6Very high98.6Very high2 Ų241.8 Ų41.81%0.0123%0.233CC..  trans-82.3-28.9-177.7-63.5-178.9000113.4I44 P51 H52 M53 T315 T318 A319 L322 K324 L326I44-L49 HydrophobicContact CG2-CB 3.92Å; I44-L49 HydrophobicContact CG2-CD1 4.35Å; I44-L49 WeakPolarHBondContact O-CB 3.3Å; I44-L49 PolarHBondContact O-N 3.19Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-H52 WeakPolarHBondContact O-CB 3.27Å; L49-H52 PolarHBondContact O-N 2.81Å; L49-M53 HydrophobicContact CB-CE 4.35Å; L49-T315 HydrophobicContact CD1-CG2 4.09Å; L49-T318 HydrophobicContact CD1-CG2 3.94Å; L49-A319 HydrophobicContact CD1-CB 4.12Å; L49-A319 HydrophobicContact CD2-CB 4.26Å; L49-L322 HydrophobicContact CB-CD1 4.13Å; L49-L322 HydrophobicContact CD2-CD1 4.01Å; L49-K324 HydrophobicContact CD2-CD 3.86Å; L49-L326 HydrophobicContact CD2-CD2 4Å
50L98.4Very high98.6Very high28 Ų2845.8 Ų45.815%0.14726%0.257CS..G310 helixtrans-54.8-42.1-176.3-60.1-178.1000114.5Y17 I44 E45 H52 M53 V55Y17-L50 HydrophobicContact CD1-CD2 3.83Å; Y17-L50 HydrophobicContact CE1-CD2 3.84Å; I44-L50 HydrophobicContact CG2-CD2 3.9Å; E45-L50 HydrophobicContact CB-CD1 3.86Å; E45-L50 HydrophobicContact CB-CG 4.35Å; E45-L50 HydrophobicContact CG-CD1 3.82Å; L50-H52 PolarHBondContact O-N 3.06Å; L50-M53 HydrophobicContact CD2-CE 3.96Å; L50-M53 PolarHBondContact O-N 3.08Å; L50-V55 HydrophobicContact CD2-CG2 4.39Å
51P98.2Very high98.6Very high111 Ų11146 Ų4672%0.72126%0.259SS*.G310 helixtrans-62.6-8.1178-23.935.8000115G48 L49G48-P51 WeakPolarHBondContact O-CD 3.47Å; L49-P51 VanDerWaalsContact C-CD 3.48Å
52H98.1Very high98.6Very high84 Ų8448.6 Ų48.639%0.38928%0.276SS..G310 helixtrans-103.43.5179.5-56.3-64.2000113.3G48 L49 L50 L322 K324G48-H52 PolarHBondContact O-CD2 3.19Å; L49-H52 WeakPolarHBondContact O-CB 3.27Å; L49-H52 PolarHBondContact O-N 2.81Å; L50-H52 PolarHBondContact O-N 3.06Å; H52-L322 HydrophobicContact CB-CD1 4.11Å; H52-L322 HydrophobicContact CB-CD2 3.99Å; H52-L322 WeakPolarHBondContact O-CD2 3.39Å; H52-K324 WeakPolarHBondContact CD2-CE 3.35Å; H52-K324 PolarHBondContact CD2-NZ 2.92Å; H52-K324 VanDerWaalsContact CD2-NZ 3.31Å; H52-K324 PolarHBondContact CE1-NZ 2.77Å; H52-K324 WeakPolarHBondContact NE2-CE 3.2Å; H52-K324 PolarHBondContact NE2-NZ 2.83Å
53M98.4Very high98.5Very high19 Ų1951 Ų519%0.09429%0.287CS..SBendtrans-127.9155.6179.4-60.5-176.2-68.600110.3V15 Y17 I44 L49 L50 V55 I134 T318 L322V15-M53 HydrophobicContact CB-CG 4.02Å; V15-M53 HydrophobicContact CG1-CG 3.88Å; V15-M53 HydrophobicContact CG1-SD 3.89Å; V15-M53 WeakPolarHBondContact O-CA 3.46Å; Y17-M53 HydrophobicContact CD1-CE 4.2Å; Y17-M53 HydrophobicContact CG-CE 3.99Å; Y17-M53 HydrophobicContact CG-SD 4.32Å; I44-M53 HydrophobicContact CG2-CE 3.97Å; L49-M53 HydrophobicContact CB-CE 4.35Å; L50-M53 HydrophobicContact CD2-CE 3.96Å; L50-M53 PolarHBondContact O-N 3.08Å; M53-V55 PolarHBondContact O-N 2.86Å; M53-I134 HydrophobicContact SD-CD1 4.36Å; M53-T318 HydrophobicContact CE-CG2 3.85Å; M53-T318 HydrophobicContact SD-CG2 3.66Å; M53-L322 HydrophobicContact CG-CD1 4.03Å; M53-L322 HydrophobicContact CG-CD2 3.82Å; M53-L322 HydrophobicContact CG-CG 4.38Å; M53-L322 HydrophobicContact SD-CD1 4.14Å
54S98.5Very high98.5Very high71 Ų7158.8 Ų58.850%0.49732%0.323SS..EExtended strand (participates in β ladder)trans-84.3106164.8-65.30000108.3V15 A16 Y17 V56V15-S54 PolarHBondContact O-N 3.39Å; A16-S54 CarbonylContact C-O 3.58Å; A16-S54 WeakPolarHBondContact CA-O 3.32Å; Y17-S54 PolarHBondContact N-O 2.82Å; S54-V56 PolarHBondContact O-N 3.49Å
55V98.7Very high98.5Very high71 Ų7160.8 Ų60.843%0.4333%0.332SS..EExtended strand (participates in β ladder)trans-72.8122173.8-179.20000108.9Y17 Y19 L50 M53Y17-V55 HydrophobicContact CD1-CG2 4.48Å; Y17-V55 WeakPolarHBondContact O-CA 3.4Å; Y19-V55 HydrophobicContact CD1-CG1 3.73Å; Y19-V55 HydrophobicContact CG-CG1 4.42Å; L50-V55 HydrophobicContact CD2-CG2 4.39Å; M53-V55 PolarHBondContact O-N 2.86Å
56V98.8Very high98.5Very high39 Ų3955.6 Ų55.624%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-120122.2-177.4-1780000109.2A16 Y17 I18 Y19 S54 T120A16-V56 HydrophobicContact CB-CG2 4.25Å; Y17-V56 PolarHBondContact O-N 2.96Å; I18-V56 WeakPolarHBondContact CA-O 3.37Å; I18-V56 HydrophobicContact CD1-CB 3.85Å; I18-V56 HydrophobicContact CD1-CG1 4.22Å; Y19-V56 PolarHBondContact N-O 3.47Å; S54-V56 PolarHBondContact O-N 3.49Å; V56-T120 HydrophobicContact CG1-CG2 3.77Å
57K98.7Very high98.4Very high126 Ų12655.5 Ų55.555%0.54831%0.308SS..PPolyproline II helixtrans-67.7123.9174.4175.3156.8-178.4154.50109.7Y19 E22Y19-K57 WeakPolarHBondContact O-CA 3.41Å; E22-K57 IonicContact OE1-NZ 3.95Å; E22-K57 PolarHBondContact OE1-NZ 2.9Å; E22-K57 IonicContact OE2-NZ 3.74Å; E22-K57 PolarHBondContact OE2-NZ 3.23Å
58P98.6Very high98.4Very high16 Ų1658.1 Ų58.110%0.10432%0.322CS..PPolyproline II helixtrans-68.7148.7175.327.4-32.6000111.2I18 Y23 A117I18-P58 HydrophobicContact CG2-CB 3.59Å; I18-P58 HydrophobicContact CG2-CG 3.93Å; Y23-P58 HydrophobicContact CD1-CG 3.84Å; Y23-P58 HydrophobicContact CD2-CG 4.08Å; Y23-P58 HydrophobicContact CG-CG 3.56Å; P58-A117 HydrophobicContact CB-CB 3.69Å; P58-A117 HydrophobicContact CG-CB 4.38Å
59R98Very high98.4Very high70 Ų7057.6 Ų57.626%0.26431%0.31SS..PPolyproline II helixtrans-87158.716066.2-167.917974.7-12.6109.5E65 G116 T120 E123R59-E65 IonicContact CZ-OE1 3.65Å; R59-E65 IonicContact CZ-OE2 2.72Å; R59-E65 IonicContact NH1-OE1 2.74Å; R59-E65 PolarHBondContact NH1-OE1 3.21Å; R59-E65 IonicContact NH1-OE2 3.49Å; R59-E65 PolarHBondContact NH1-OE2 2.65Å; R59-E65 IonicContact NH2-OE1 3.66Å; R59-E65 PolarHBondContact NH2-OE1 3.35Å; R59-E65 IonicContact NH2-OE2 2.68Å; R59-G116 CarbonylContact O-C 3.1Å; R59-G116 WeakPolarHBondContact O-CA 3.45Å; R59-T120 WeakPolarHBondContact CG-OG1 3.45Å; R59-T120 PolarHBondContact N-OG1 2.67Å; R59-E123 IonicContact CZ-OE1 3.95Å; R59-E123 IonicContact CZ-OE2 2.65Å; R59-E123 IonicContact NE-OE1 3.81Å; R59-E123 PolarHBondContact NE-OE1 3.17Å; R59-E123 IonicContact NE-OE2 2.69Å; R59-E123 PolarHBondContact NE-OE2 2.85Å; R59-E123 VanDerWaalsContact NE-OE2 3.11Å; R59-E123 IonicContact NH2-OE1 2.89Å; R59-E123 PolarHBondContact NH2-OE1 2.85Å; R59-E123 IonicContact NH2-OE2 3.92Å
60V98.5Very high98.4Very high92 Ų9257.7 Ų57.756%0.55831%0.31SS*.PPolyproline II helixtrans-82.5136.9169179.90000108A112V60-A112 HydrophobicContact CG1-CB 3.61Å
61A98.6Very high98.4Very high6 Ų657.6 Ų57.65%0.0531%0.311CS..PPolyproline II helixtrans-68.1138.4175.800000110.2E65 M66 A112 L119A61-E65 WeakPolarHBondContact CA-OE2 3.48Å; A61-M66 HydrophobicContact CB-CG 3.9Å; A61-M66 HydrophobicContact CB-SD 4.45Å; A61-A112 WeakPolarHBondContact CB-O 3.31Å; A61-A112 PolarHBondContact N-O 3.16Å; A61-L119 HydrophobicContact CB-CD1 4.19Å
62T98.4Very high98.4Very high69 Ų6957.3 Ų57.342%0.42330%0.303SS..PPolyproline II helixtrans-76.2162.3169.571.70000110.3E64 E65 M66T62-E64 PolarHBondContact O-N 2.88Å; T62-E64 PolarHBondContact OG1-N 2.96Å; T62-E65 PolarHBondContact N-OE2 2.88Å; T62-E65 PolarHBondContact O-N 2.93Å; T62-E65 VanDerWaalsContact O-N 3.15Å; T62-E65 WeakPolarHBondContact OG1-CG 3.26Å; T62-E65 PolarHBondContact OG1-N 3.3Å; T62-M66 PolarHBondContact O-N 3.27Å; T62-M66 VanDerWaalsContact O-N 3.08Å
63M97.7Very high98.4Very high62 Ų6256 Ų5631%0.30530%0.303SS..Hα-helixtrans-54-42.9171.4-165.969.993.900111.7E65 M66 A67 L75 H79 F108M63-E65 VanDerWaalsContact C-N 3.28Å; M63-E65 PolarHBondContact O-N 3.35Å; M63-M66 PolarHBondContact O-N 2.97Å; M63-M66 HydrophobicContact SD-CE 4.23Å; M63-A67 VanDerWaalsContact O-CB 3.27Å; M63-A67 WeakPolarHBondContact O-CB 3.49Å; M63-A67 PolarHBondContact O-N 2.97Å; M63-L75 HydrophobicContact CE-CB 4.34Å; M63-L75 HydrophobicContact CG-CD1 4.42Å; M63-L75 HydrophobicContact SD-CB 3.4Å; M63-L75 WeakPolarHBondContact SD-CB 3.49Å; M63-L75 HydrophobicContact SD-CD1 3.89Å; M63-L75 HydrophobicContact SD-CG 4.2Å; M63-H79 HydrophobicContact CE-CB 3.91Å; M63-F108 HydrophobicContact CE-CE2 3.49Å; M63-F108 VanDerWaalsContact CE-CE2 3.49Å; M63-F108 HydrophobicContact CE-CZ 3.44Å; M63-F108 VanDerWaalsContact CE-CZ 3.44Å; M63-F108 HydrophobicContact SD-CE2 3.58Å; M63-F108 VanDerWaalsContact SD-CE2 3.58Å; M63-F108 HydrophobicContact SD-CZ 3.59Å; M63-F108 VanDerWaalsContact SD-CZ 3.59Å
64E98.3Very high98.4Very high162 Ų16255.1 Ų55.176%0.75730%0.299SS*.Hα-helixtrans-61.3-36.8179.5-62173.3176.300112.2T62 A67 M68T62-E64 PolarHBondContact O-N 2.88Å; T62-E64 PolarHBondContact OG1-N 2.96Å; E64-A67 PolarHBondContact O-N 3.21Å; E64-M68 PolarHBondContact O-N 3.33Å
65E98.5Very high98.4Very high42 Ų4251.7 Ų51.720%0.19628%0.275CS..Hα-helixtrans-73.3-40.5177.9-70.3175.4131.200112.1R59 A61 T62 M63 A67 M68 L119 L159R59-E65 IonicContact CZ-OE1 3.65Å; R59-E65 IonicContact CZ-OE2 2.72Å; R59-E65 IonicContact NH1-OE1 2.74Å; R59-E65 PolarHBondContact NH1-OE1 3.21Å; R59-E65 IonicContact NH1-OE2 3.49Å; R59-E65 PolarHBondContact NH1-OE2 2.65Å; R59-E65 IonicContact NH2-OE1 3.66Å; R59-E65 PolarHBondContact NH2-OE1 3.35Å; R59-E65 IonicContact NH2-OE2 2.68Å; A61-E65 WeakPolarHBondContact CA-OE2 3.48Å; T62-E65 PolarHBondContact N-OE2 2.88Å; T62-E65 PolarHBondContact O-N 2.93Å; T62-E65 VanDerWaalsContact O-N 3.15Å; T62-E65 WeakPolarHBondContact OG1-CG 3.26Å; T62-E65 PolarHBondContact OG1-N 3.3Å; M63-E65 VanDerWaalsContact C-N 3.28Å; M63-E65 PolarHBondContact O-N 3.35Å; E65-A67 VanDerWaalsContact C-N 3.27Å; E65-A67 PolarHBondContact O-N 2.94Å; E65-M68 HydrophobicContact CB-CE 4.13Å; E65-M68 VanDerWaalsContact O-CB 3.3Å; E65-M68 WeakPolarHBondContact O-CB 3.48Å; E65-M68 WeakPolarHBondContact O-CE 3.47Å; E65-M68 VanDerWaalsContact O-CG 3.31Å; E65-M68 WeakPolarHBondContact O-CG 3.4Å; E65-M68 PolarHBondContact O-N 3.45Å; E65-L119 HydrophobicContact CB-CD1 3.92Å; E65-L119 HydrophobicContact CG-CD1 4.46Å; E65-L159 WeakPolarHBondContact O-CD2 3.39Å
66M98.7Very high98.2Very high0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-65.4-34.8173.6-65.7-170.8-69.800111.4A61 T62 M63 M68 F69 H70 L75 F108 A112 V154 L159A61-M66 HydrophobicContact CB-CG 3.9Å; A61-M66 HydrophobicContact CB-SD 4.45Å; T62-M66 PolarHBondContact O-N 3.27Å; T62-M66 VanDerWaalsContact O-N 3.08Å; M63-M66 PolarHBondContact O-N 2.97Å; M63-M66 HydrophobicContact SD-CE 4.23Å; M66-M68 PolarHBondContact O-N 3.09Å; M66-F69 PolarHBondContact O-N 3.14Å; M66-H70 PolarHBondContact O-N 3.38Å; M66-L75 HydrophobicContact CB-CD1 3.69Å; M66-L75 HydrophobicContact CB-CD2 3.98Å; M66-L75 HydrophobicContact CE-CD2 4.49Å; M66-L75 HydrophobicContact SD-CD2 4.48Å; M66-F108 HydrophobicContact CE-CD2 4.49Å; M66-F108 HydrophobicContact CE-CE1 4.17Å; M66-F108 HydrophobicContact CE-CE2 3.56Å; M66-F108 HydrophobicContact CE-CZ 3.36Å; M66-A112 HydrophobicContact CE-CB 3.97Å; M66-A112 HydrophobicContact SD-CB 4.12Å; M66-V154 HydrophobicContact CG-CG1 4.44Å; M66-V154 HydrophobicContact SD-CG1 4.29Å; M66-V154 HydrophobicContact SD-CG2 3.85Å; M66-L159 HydrophobicContact CG-CD1 4.26Å
67A98.5Very high98Very high30 Ų3053.1 Ų53.125%0.24828%0.275CS..THydrogen-bonded Turntrans-69.3-6.5177.100000114M63 E64 E65 F69 H70 L75M63-A67 VanDerWaalsContact O-CB 3.27Å; M63-A67 WeakPolarHBondContact O-CB 3.49Å; M63-A67 PolarHBondContact O-N 2.97Å; E64-A67 PolarHBondContact O-N 3.21Å; E65-A67 VanDerWaalsContact C-N 3.27Å; E65-A67 PolarHBondContact O-N 2.94Å; A67-F69 PolarHBondContact O-N 2.97Å; A67-H70 WeakPolarHBondContact CA-O 3.42Å; A67-L75 HydrophobicContact CB-CD1 3.94Å
68M98.1Very high97.8Very high85 Ų8547.1 Ų47.142%0.41925%0.249SC..THydrogen-bonded Turntrans-61.1-25.6168.1-66.6-169.9-69.100112.3E64 E65 M66 L119 L159 L162E64-M68 PolarHBondContact O-N 3.33Å; E65-M68 HydrophobicContact CB-CE 4.13Å; E65-M68 VanDerWaalsContact O-CB 3.3Å; E65-M68 WeakPolarHBondContact O-CB 3.48Å; E65-M68 WeakPolarHBondContact O-CE 3.47Å; E65-M68 VanDerWaalsContact O-CG 3.31Å; E65-M68 WeakPolarHBondContact O-CG 3.4Å; E65-M68 PolarHBondContact O-N 3.45Å; M66-M68 PolarHBondContact O-N 3.09Å; M68-L119 HydrophobicContact CE-CD2 4.13Å; M68-L159 HydrophobicContact CB-CD2 4.46Å; M68-L162 HydrophobicContact CB-CD1 4.15Å
69F98.8Very high97.6Very high25 Ų2549.5 Ų49.511%0.1126%0.258CS..THydrogen-bonded Turntrans-118.9-55.1173172.7-124.4000111.5M66 A67 K145 N155 V158 L159 L162 A187M66-F69 PolarHBondContact O-N 3.14Å; A67-F69 PolarHBondContact O-N 2.97Å; F69-K145 HydrophobicContact CD2-CG 4.49Å; F69-K145 HydrophobicContact CE2-CB 4.19Å; F69-K145 HydrophobicContact CE2-CG 4.32Å; F69-K145 HydrophobicContact CZ-CB 4.23Å; F69-K145 WeakPolarHBondContact O-CE 3.41Å; F69-K145 WeakPolarHBondContact O-CG 3.37Å; F69-N155 HydrophobicContact CD1-CB 4.03Å; F69-N155 HydrophobicContact CE1-CB 3.69Å; F69-V158 HydrophobicContact CB-CG1 3.84Å; F69-V158 HydrophobicContact CD1-CB 4.12Å; F69-V158 HydrophobicContact CD1-CG1 3.88Å; F69-V158 HydrophobicContact CD2-CG1 3.6Å; F69-V158 HydrophobicContact CE1-CB 4.37Å; F69-V158 HydrophobicContact CE1-CG1 4.34Å; F69-V158 HydrophobicContact CE1-CG2 4.34Å; F69-V158 HydrophobicContact CE2-CG1 4.08Å; F69-V158 HydrophobicContact CG-CB 4.24Å; F69-V158 HydrophobicContact CG-CG1 3.49Å; F69-V158 VanDerWaalsContact CG-CG1 3.49Å; F69-V158 HydrophobicContact CZ-CG1 4.42Å; F69-V158 HydrophobicContact CZ-CG2 4.36Å; F69-L159 HydrophobicContact CB-CD2 3.96Å; F69-L162 HydrophobicContact CB-CD1 4.06Å; F69-A187 HydrophobicContact CD2-CB 4.32Å; F69-A187 HydrophobicContact CE2-CB 3.53Å; F69-A187 HydrophobicContact CZ-CB 3.93Å
70H98.8Very high97.4Very high3 Ų350.5 Ų50.51%0.01426%0.264CS..SBendtrans-72.3154.2-172.5-68.1-75.5000112.5M66 A67 Y74 L75 K144 K145 V154 N155M66-H70 PolarHBondContact O-N 3.38Å; A67-H70 WeakPolarHBondContact CA-O 3.42Å; H70-Y74 HydrophobicContact CB-CD1 4.11Å; H70-Y74 AromaticContact ND1-CD1 3.79Å; H70-Y74 AromaticContact ND1-CE1 3.72Å; H70-L75 HydrophobicContact CB-CD1 3.94Å; H70-L75 HydrophobicContact CB-CD2 3.75Å; H70-L75 HydrophobicContact CB-CG 3.73Å; H70-K144 PolarHBondContact CE1-O 3.14Å; H70-K144 PolarHBondContact ND1-O 2.64Å; H70-K145 CarbonylContact C-O 3.53Å; H70-K145 WeakPolarHBondContact CA-O 3.44Å; H70-K145 PolarHBondContact ND1-O 3.12Å; H70-V154 WeakPolarHBondContact NE2-CA 3.49Å; H70-N155 PolarHBondContact NE2-N 3.11Å
71T98.6Very high97Very high26 Ų2646.2 Ų46.216%0.1624%0.238CC..  trans-73.5144.8174.261.50000111S73 Y74 L75 K145 D146T71-S73 PolarHBondContact O-N 3.29Å; T71-S73 PolarHBondContact OG1-OG 3.48Å; T71-Y74 PolarHBondContact O-N 3.4Å; T71-Y74 VanDerWaalsContact O-N 3.16Å; T71-Y74 WeakPolarHBondContact OG1-CB 3.49Å; T71-Y74 PolarHBondContact OG1-N 2.84Å; T71-L75 PolarHBondContact O-N 3.39Å; T71-L75 VanDerWaalsContact O-N 3.1Å; T71-K145 HydrophobicContact CG2-CD 3.82Å; T71-K145 HydrophobicContact CG2-CG 4.05Å; T71-K145 PolarHBondContact N-O 3.48Å; T71-D146 HydrophobicContact CG2-CB 3.95Å; T71-D146 WeakPolarHBondContact OG1-CB 3.23Å
72D98.1Very high96.5Very high106 Ų10646.2 Ų46.257%0.56724%0.238SC*.Hα-helixtrans-53.9-43175.1-60.6-28.3000111Y74 L75 E76D72-Y74 PolarHBondContact O-N 3.33Å; D72-L75 PolarHBondContact O-N 2.88Å; D72-E76 WeakPolarHBondContact O-CB 3.19Å; D72-E76 VanDerWaalsContact O-CG 3.25Å; D72-E76 WeakPolarHBondContact O-CG 3.29Å; D72-E76 PolarHBondContact O-N 3.13Å
73S97.7Very high95.9Very high56 Ų5648.8 Ų48.839%0.39225%0.245SC..Hα-helixtrans-62.7-39.4-179.957.90000113.4T71 H77 Y95T71-S73 PolarHBondContact O-N 3.29Å; T71-S73 PolarHBondContact OG1-OG 3.48Å; S73-H77 WeakPolarHBondContact O-CB 3.3Å; S73-H77 PolarHBondContact O-N 2.78Å; S73-H77 VanDerWaalsContact O-N 3.08Å; S73-Y95 PolarHBondContact O-OH 2.93Å
74Y97.8Very high94.9Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-66.9-45.6176.4170.8-109.2000111.1H70 T71 D72 H77 L78 Y95 A148 Y153H70-Y74 HydrophobicContact CB-CD1 4.11Å; H70-Y74 AromaticContact ND1-CD1 3.79Å; H70-Y74 AromaticContact ND1-CE1 3.72Å; T71-Y74 PolarHBondContact O-N 3.4Å; T71-Y74 VanDerWaalsContact O-N 3.16Å; T71-Y74 WeakPolarHBondContact OG1-CB 3.49Å; T71-Y74 PolarHBondContact OG1-N 2.84Å; D72-Y74 PolarHBondContact O-N 3.33Å; Y74-H77 PolarHBondContact O-N 3.42Å; Y74-L78 HydrophobicContact CE1-CD2 4.49Å; Y74-L78 WeakPolarHBondContact O-CB 3.35Å; Y74-L78 PolarHBondContact O-N 2.95Å; Y74-Y95 AromaticContact CD2-CD1 3.63Å; Y74-Y95 HydrophobicContact CD2-CD1 3.63Å; Y74-Y95 HydrophobicContact CD2-CE1 4.36Å; Y74-Y95 AromaticContact CD2-CG 3.95Å; Y74-Y95 HydrophobicContact CD2-CG 3.95Å; Y74-Y95 HydrophobicContact CG-CD1 4.41Å; Y74-A148 WeakPolarHBondContact OH-CB 3.37Å; Y74-Y153 VanDerWaalsContact CE1-O 3.29Å; Y74-Y153 WeakPolarHBondContact CE1-O 3.19Å; Y74-Y153 PolarHBondContact OH-O 3.09Å
75L97.7Very high93.3Very high0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-69.6-37.7-178.8-63.1175.2000112.8M63 M66 A67 H70 T71 D72 H77 L78 H79 V154M63-L75 HydrophobicContact CE-CB 4.34Å; M63-L75 HydrophobicContact CG-CD1 4.42Å; M63-L75 HydrophobicContact SD-CB 3.4Å; M63-L75 WeakPolarHBondContact SD-CB 3.49Å; M63-L75 HydrophobicContact SD-CD1 3.89Å; M63-L75 HydrophobicContact SD-CG 4.2Å; M66-L75 HydrophobicContact CB-CD1 3.69Å; M66-L75 HydrophobicContact CB-CD2 3.98Å; M66-L75 HydrophobicContact CE-CD2 4.49Å; M66-L75 HydrophobicContact SD-CD2 4.48Å; A67-L75 HydrophobicContact CB-CD1 3.94Å; H70-L75 HydrophobicContact CB-CD1 3.94Å; H70-L75 HydrophobicContact CB-CD2 3.75Å; H70-L75 HydrophobicContact CB-CG 3.73Å; T71-L75 PolarHBondContact O-N 3.39Å; T71-L75 VanDerWaalsContact O-N 3.1Å; D72-L75 PolarHBondContact O-N 2.88Å; L75-H77 VanDerWaalsContact C-N 3.32Å; L75-L78 PolarHBondContact O-N 3.39Å; L75-H79 WeakPolarHBondContact O-CB 3.43Å; L75-H79 PolarHBondContact O-N 3.33Å; L75-V154 HydrophobicContact CD2-CG2 4.3Å
76E96Very high91.9Very high131 Ų13146.7 Ų46.761%0.61225%0.249SC*.Hα-helixtrans-60.6-42.7171.9-75.8175.8177.400111.1D72 H79 K80D72-E76 WeakPolarHBondContact O-CB 3.19Å; D72-E76 VanDerWaalsContact O-CG 3.25Å; D72-E76 WeakPolarHBondContact O-CG 3.29Å; D72-E76 PolarHBondContact O-N 3.13Å; E76-H79 PolarHBondContact O-N 2.92Å; E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.47Å
77H94.8Very high90.4Very high9 Ų951.4 Ų51.44%0.04228%0.275CS..Hα-helixtrans-63.2-49.4175.2-172.775.9000111.7S73 Y74 L75 H79 K80 I81 D89 S92 Y95S73-H77 WeakPolarHBondContact O-CB 3.3Å; S73-H77 PolarHBondContact O-N 2.78Å; S73-H77 VanDerWaalsContact O-N 3.08Å; Y74-H77 PolarHBondContact O-N 3.42Å; L75-H77 VanDerWaalsContact C-N 3.32Å; H77-H79 VanDerWaalsContact C-N 3.27Å; H77-H79 PolarHBondContact O-N 3.31Å; H77-K80 WeakPolarHBondContact O-CB 3.37Å; H77-K80 PolarHBondContact O-N 3.44Å; H77-I81 WeakPolarHBondContact O-CG1 3.47Å; H77-I81 PolarHBondContact O-N 2.88Å; H77-D89 IonicContact CE1-OD1 3.48Å; H77-D89 IonicContact CE1-OD2 2.78Å; H77-S92 WeakPolarHBondContact NE2-CA 3.48Å; H77-S92 PolarHBondContact NE2-OG 3.3Å; H77-S92 VanDerWaalsContact NE2-OG 3.09Å; H77-Y95 HydrophobicContact CB-CD2 3.81Å; H77-Y95 HydrophobicContact CB-CE2 3.52Å; H77-Y95 AromaticContact CD2-CD2 3.3Å; H77-Y95 WeakPolarHBondContact CD2-CD2 3.44Å; H77-Y95 AromaticContact CD2-CE2 3.87Å; H77-Y95 AromaticContact CG-CD2 3.4Å; H77-Y95 AromaticContact CG-CE2 3.43Å; H77-Y95 VanDerWaalsContact CG-CE2 3.43Å; H77-Y95 AromaticContact ND1-CD2 3.99Å; H77-Y95 AromaticContact ND1-CE2 3.84Å; H77-Y95 AromaticContact NE2-CD2 3.83Å
78L94.4Very high89.2Confident0 Ų056.9 Ų56.90%030%0.299CS..Hα-helixtrans-58.4-39.9178-17265.5000111.6Y74 L75 I81 S82 L97 I107 F108 A111 Y153 V154Y74-L78 HydrophobicContact CE1-CD2 4.49Å; Y74-L78 WeakPolarHBondContact O-CB 3.35Å; Y74-L78 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 3.39Å; L78-I81 HydrophobicContact CD1-CD1 4.2Å; L78-I81 WeakPolarHBondContact O-CG1 3.24Å; L78-S82 WeakPolarHBondContact O-CB 3.35Å; L78-S82 PolarHBondContact O-N 3.06Å; L78-S82 VanDerWaalsContact O-N 3.12Å; L78-L97 HydrophobicContact CD1-CD2 4.32Å; L78-I107 HydrophobicContact CD1-CG2 3.74Å; L78-I107 HydrophobicContact CG-CG2 4.46Å; L78-F108 HydrophobicContact CB-CD2 4.39Å; L78-F108 HydrophobicContact CD2-CD2 4.35Å; L78-F108 HydrophobicContact CG-CD2 4.25Å; L78-A111 HydrophobicContact CD2-CB 4.19Å; L78-Y153 HydrophobicContact CD1-CD1 3.99Å; L78-V154 HydrophobicContact CD2-CG2 4.4Å
79H94.5Very high88.4Confident65 Ų6553.9 Ų53.930%0.30129%0.285SS..Hα-helixtrans-66.6-43.9176.6-169.165.3000112.5M63 L75 E76 H77 S82 Q83 F108M63-H79 HydrophobicContact CE-CB 3.91Å; L75-H79 WeakPolarHBondContact O-CB 3.43Å; L75-H79 PolarHBondContact O-N 3.33Å; E76-H79 PolarHBondContact O-N 2.92Å; H77-H79 VanDerWaalsContact C-N 3.27Å; H77-H79 PolarHBondContact O-N 3.31Å; H79-S82 PolarHBondContact O-N 3.41Å; H79-Q83 PolarHBondContact NE2-NE2 3Å; H79-Q83 PolarHBondContact O-N 3.19Å; H79-F108 HydrophobicContact CB-CD2 3.66Å; H79-F108 HydrophobicContact CB-CE2 3.83Å; H79-F108 HydrophobicContact CB-CG 4.06Å; H79-F108 HydrophobicContact CB-CZ 4.36Å; H79-F108 AromaticContact CE1-CD1 3.99Å; H79-F108 AromaticContact CE1-CE1 4Å; H79-F108 AromaticContact ND1-CD1 3.2Å; H79-F108 WeakPolarHBondContact ND1-CD1 3.34Å; H79-F108 AromaticContact ND1-CD2 3.85Å; H79-F108 AromaticContact ND1-CE1 3.35Å; H79-F108 WeakPolarHBondContact ND1-CE1 3.44Å; H79-F108 AromaticContact ND1-CE2 3.98Å; H79-F108 AromaticContact ND1-CG 3.46Å; H79-F108 WeakPolarHBondContact ND1-CG 3.49Å; H79-F108 AromaticContact ND1-CZ 3.74Å
80K92.4Very high87.7Confident92 Ų9258 Ų5840%0.431%0.314SS..Hα-helixtrans-59.3-55.5177.6178.6-164.8169.8-158.60111.2E76 H77 S82 Q83 D84 D89E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.47Å; H77-K80 WeakPolarHBondContact O-CB 3.37Å; H77-K80 PolarHBondContact O-N 3.44Å; K80-S82 PolarHBondContact O-N 2.89Å; K80-Q83 PolarHBondContact O-N 3.26Å; K80-Q83 VanDerWaalsContact O-N 3.09Å; K80-D84 PolarHBondContact O-N 3.24Å; K80-D89 IonicContact NZ-OD2 2.82Å; K80-D89 PolarHBondContact NZ-OD2 3.25Å
81I90.1Very high87Confident2 Ų262.7 Ų62.71%0.0134%0.336CS..Hα-helixtrans-65.8-27.7-177.367.9-178.4000112.3H77 L78 Q83 G85 L97 V103H77-I81 WeakPolarHBondContact O-CG1 3.47Å; H77-I81 PolarHBondContact O-N 2.88Å; L78-I81 HydrophobicContact CD1-CD1 4.2Å; L78-I81 WeakPolarHBondContact O-CG1 3.24Å; I81-Q83 PolarHBondContact O-N 2.96Å; I81-G85 WeakPolarHBondContact O-CA 3.28Å; I81-G85 PolarHBondContact O-N 3.01Å; I81-L97 HydrophobicContact CD1-CD1 3.22Å; I81-L97 HydrophobicContact CD1-CD2 4.4Å; I81-L97 HydrophobicContact CD1-CG 4.36Å; I81-V103 HydrophobicContact CB-CG1 3.91Å; I81-V103 HydrophobicContact CD1-CG1 4.03Å; I81-V103 HydrophobicContact CD1-CG2 3.96Å; I81-V103 HydrophobicContact CG1-CG1 4.12Å
82S88.8Confident86.6Confident6 Ų661.7 Ų61.74%0.04233%0.33CS..Hα-helixtrans-66.6-24.2176.1-175.90000113.1L78 H79 K80 G106 I107 F108L78-S82 WeakPolarHBondContact O-CB 3.35Å; L78-S82 PolarHBondContact O-N 3.06Å; L78-S82 VanDerWaalsContact O-N 3.12Å; H79-S82 PolarHBondContact O-N 3.41Å; K80-S82 PolarHBondContact O-N 2.89Å; S82-G106 PolarHBondContact O-N 3.18Å; S82-G106 VanDerWaalsContact OG-C 3.24Å; S82-G106 VanDerWaalsContact OG-CA 3.27Å; S82-G106 WeakPolarHBondContact OG-CA 3.27Å; S82-G106 PolarHBondContact OG-N 3.37Å; S82-I107 PolarHBondContact OG-N 2.92Å; S82-I107 VanDerWaalsContact OG-N 3.11Å; S82-F108 VanDerWaalsContact CB-CB 3.43Å; S82-F108 WeakPolarHBondContact OG-CB 3.44Å; S82-F108 PolarHBondContact OG-N 3.26Å
83Q85.7Confident86.3Confident123 Ų12360.1 Ų60.158%0.57533%0.332SS*.Hα-helixtrans-91.3-43177.9-67.6-178.62.500112.2H79 K80 I81H79-Q83 PolarHBondContact NE2-NE2 3Å; H79-Q83 PolarHBondContact O-N 3.19Å; K80-Q83 PolarHBondContact O-N 3.26Å; K80-Q83 VanDerWaalsContact O-N 3.09Å; I81-Q83 PolarHBondContact O-N 2.96Å
84D76.3Confident86Confident110 Ų11063.8 Ų63.859%0.58835%0.347SS*.Hα-helixtrans-84.6-20.8-172.8-66.7-25.9000112.2K80 D86K80-D84 PolarHBondContact O-N 3.24Å; D84-D86 HydrophobicContact CB-CB 4.22Å; D84-D86 PolarHBondContact O-N 3.12Å; D84-D86 VanDerWaalsContact O-N 3.11Å
85G65.8Low85.9Confident32 Ų3265.6 Ų65.633%0.3336%0.355SS..  trans59.917.1-174.200000113.1I81 N87I81-G85 WeakPolarHBondContact O-CA 3.28Å; I81-G85 PolarHBondContact O-N 3.01Å; G85-N87 PolarHBondContact O-N 3.48Å; G85-N87 VanDerWaalsContact O-N 3.17Å; G85-N87 PolarHBondContact O-OD1 2.98Å
86D68.6Low85.8Confident80 Ų8066.3 Ų66.343%0.42836%0.362SS..  trans-78.5101.4-174.6-170.5-0.5000109.9D84 D88D84-D86 HydrophobicContact CB-CB 4.22Å; D84-D86 PolarHBondContact O-N 3.12Å; D84-D86 VanDerWaalsContact O-N 3.11Å; D86-D88 PolarHBondContact O-N 2.84Å; D86-D88 PolarHBondContact OD1-N 3Å
87N67.6Low85.6Confident99 Ų9960.6 Ų60.653%0.52934%0.335SS..THydrogen-bonded Turntrans-78.3-4.1179.6-69.22.9000113G85 V103G85-N87 PolarHBondContact O-N 3.48Å; G85-N87 VanDerWaalsContact O-N 3.17Å; G85-N87 PolarHBondContact O-OD1 2.98Å; N87-V103 PolarHBondContact ND2-O 3.16Å; N87-V103 WeakPolarHBondContact OD1-CB 3.46Å; N87-V103 WeakPolarHBondContact OD1-CG1 3.09Å; N87-V103 PolarHBondContact OD1-O 3.27Å
88D72.8Confident85.3Confident144 Ų14462 Ų6277%0.7735%0.353SS*.THydrogen-bonded Turntrans-103.65.6-175.2-71.2-24.8000113.5D86 P90D86-D88 PolarHBondContact O-N 2.84Å; D86-D88 PolarHBondContact OD1-N 3Å; D88-P90 WeakPolarHBondContact O-CD 3.49Å; D88-P90 VanDerWaalsContact O-N 3.17Å
89D81.6Confident84.9Confident23 Ų2372.5 Ų72.512%0.12339%0.394CS..  trans-62.7116.5174.2-167.4-41000110.1H77 K80 Q91 S92H77-D89 IonicContact CE1-OD1 3.48Å; H77-D89 IonicContact CE1-OD2 2.78Å; K80-D89 IonicContact NZ-OD2 2.82Å; K80-D89 PolarHBondContact NZ-OD2 3.25Å; D89-Q91 PolarHBondContact O-N 2.99Å; D89-Q91 VanDerWaalsContact O-N 3.1Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.49Å; D89-Q91 PolarHBondContact OD1-N 3.27Å; D89-S92 VanDerWaalsContact O-CB 3.26Å; D89-S92 WeakPolarHBondContact O-CB 3.36Å; D89-S92 PolarHBondContact O-N 3.06Å; D89-S92 PolarHBondContact O-OG 2.89Å
90P82.9Confident84.6Confident111 Ų11171.3 Ų71.372%0.72139%0.39SS*.G310 helixtrans-60.3-25-176.5-2333.7000114D88 S92D88-P90 WeakPolarHBondContact O-CD 3.49Å; D88-P90 VanDerWaalsContact O-N 3.17Å; P90-S92 VanDerWaalsContact C-N 3.27Å; P90-S92 PolarHBondContact O-N 3.11Å
91Q85.6Confident84.7Confident101 Ų10167 Ų6747%0.47237%0.371SS..G310 helixtrans-73.5-19.2179.2-64.6-176.6-3.800112.6D89 A93 D94 Y95D89-Q91 PolarHBondContact O-N 2.99Å; D89-Q91 VanDerWaalsContact O-N 3.1Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.49Å; D89-Q91 PolarHBondContact OD1-N 3.27Å; Q91-A93 PolarHBondContact O-N 3.12Å; Q91-D94 WeakPolarHBondContact O-CB 3.15Å; Q91-D94 PolarHBondContact O-N 3.28Å; Q91-Y95 HydrophobicContact CB-CD2 4.41Å; Q91-Y95 HydrophobicContact CB-CE2 4.28Å; Q91-Y95 VanDerWaalsContact O-CD2 3.26Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.22Å; Q91-Y95 PolarHBondContact O-N 3.47Å
92S89.8Confident84.6Confident5 Ų568.2 Ų68.24%0.03538%0.379CS..G310 helixtrans-57.7-37.5179.7-67.40000112.2H77 D89 P90 D94 Y95 G96 L97H77-S92 WeakPolarHBondContact NE2-CA 3.48Å; H77-S92 PolarHBondContact NE2-OG 3.3Å; H77-S92 VanDerWaalsContact NE2-OG 3.09Å; D89-S92 VanDerWaalsContact O-CB 3.26Å; D89-S92 WeakPolarHBondContact O-CB 3.36Å; D89-S92 PolarHBondContact O-N 3.06Å; D89-S92 PolarHBondContact O-OG 2.89Å; P90-S92 VanDerWaalsContact C-N 3.27Å; P90-S92 PolarHBondContact O-N 3.11Å; S92-D94 VanDerWaalsContact C-N 3.35Å; S92-D94 PolarHBondContact O-N 3.33Å; S92-Y95 CarbonylContact O-C 3.45Å; S92-Y95 PolarHBondContact O-N 3.44Å; S92-G96 PolarHBondContact O-N 3.29Å; S92-L97 VanDerWaalsContact O-CB 3.32Å; S92-L97 WeakPolarHBondContact O-CB 3.42Å; S92-L97 PolarHBondContact O-N 2.88Å
93A90.6Very high84.5Confident74 Ų7468.4 Ų68.461%0.61238%0.38SS*.G310 helixtrans-65.9-35.7176.900000112.9Q91 Y95 G96Q91-A93 PolarHBondContact O-N 3.12Å; A93-Y95 PolarHBondContact O-N 2.85Å; A93-G96 PolarHBondContact O-N 3.1Å
94D92.3Very high84.4Confident132 Ų13265 Ų6571%0.70637%0.368SS*.G310 helixtrans-68.1-23.9177.5-66-25.3000111.7Q91 S92Q91-D94 WeakPolarHBondContact O-CB 3.15Å; Q91-D94 PolarHBondContact O-N 3.28Å; S92-D94 VanDerWaalsContact C-N 3.35Å; S92-D94 PolarHBondContact O-N 3.33Å
95Y95.6Very high84.9Confident39 Ų3967.7 Ų67.715%0.15338%0.377CS..G310 helixtrans-98.414.3176.4-66.7-57.1000113.4S73 Y74 H77 Q91 S92 A93 L97 D146 E147 A148S73-Y95 PolarHBondContact O-OH 2.93Å; Y74-Y95 AromaticContact CD2-CD1 3.63Å; Y74-Y95 HydrophobicContact CD2-CD1 3.63Å; Y74-Y95 HydrophobicContact CD2-CE1 4.36Å; Y74-Y95 AromaticContact CD2-CG 3.95Å; Y74-Y95 HydrophobicContact CD2-CG 3.95Å; Y74-Y95 HydrophobicContact CG-CD1 4.41Å; H77-Y95 HydrophobicContact CB-CD2 3.81Å; H77-Y95 HydrophobicContact CB-CE2 3.52Å; H77-Y95 AromaticContact CD2-CD2 3.3Å; H77-Y95 WeakPolarHBondContact CD2-CD2 3.44Å; H77-Y95 AromaticContact CD2-CE2 3.87Å; H77-Y95 AromaticContact CG-CD2 3.4Å; H77-Y95 AromaticContact CG-CE2 3.43Å; H77-Y95 VanDerWaalsContact CG-CE2 3.43Å; H77-Y95 AromaticContact ND1-CD2 3.99Å; H77-Y95 AromaticContact ND1-CE2 3.84Å; H77-Y95 AromaticContact NE2-CD2 3.83Å; Q91-Y95 HydrophobicContact CB-CD2 4.41Å; Q91-Y95 HydrophobicContact CB-CE2 4.28Å; Q91-Y95 VanDerWaalsContact O-CD2 3.26Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.22Å; Q91-Y95 PolarHBondContact O-N 3.47Å; S92-Y95 CarbonylContact O-C 3.45Å; S92-Y95 PolarHBondContact O-N 3.44Å; A93-Y95 PolarHBondContact O-N 2.85Å; Y95-L97 VanDerWaalsContact C-N 3.29Å; Y95-L97 PolarHBondContact O-N 3.42Å; Y95-D146 WeakPolarHBondContact CD1-O 3.37Å; Y95-E147 WeakPolarHBondContact O-CA 3.47Å; Y95-A148 PolarHBondContact O-N 2.58Å
96G95Very high86Confident15 Ų1567.1 Ų67.116%0.15537%0.371CS..THydrogen-bonded Turntrans73.115.6176.200000115.2S92 A93 A148S92-G96 PolarHBondContact O-N 3.29Å; A93-G96 PolarHBondContact O-N 3.1Å; G96-A148 WeakPolarHBondContact CA-O 3.47Å
97L93Very high87.2Confident10 Ų1063.5 Ų63.55%0.05235%0.351CS..  trans-92.4134.5178.9-59.9158.6000110.3L78 I81 S92 Y95 C101 V103 A148 Y153L78-L97 HydrophobicContact CD1-CD2 4.32Å; I81-L97 HydrophobicContact CD1-CD1 3.22Å; I81-L97 HydrophobicContact CD1-CD2 4.4Å; I81-L97 HydrophobicContact CD1-CG 4.36Å; S92-L97 VanDerWaalsContact O-CB 3.32Å; S92-L97 WeakPolarHBondContact O-CB 3.42Å; S92-L97 PolarHBondContact O-N 2.88Å; Y95-L97 VanDerWaalsContact C-N 3.29Å; Y95-L97 PolarHBondContact O-N 3.42Å; L97-C101 CarbonylContact C-O 3.55Å; L97-C101 WeakPolarHBondContact CA-O 3.5Å; L97-C101 HydrophobicContact CD2-CB 4.38Å; L97-V103 HydrophobicContact CB-CG2 3.89Å; L97-V103 HydrophobicContact CD1-CG2 4.49Å; L97-A148 HydrophobicContact CD2-CB 3.77Å; L97-A148 HydrophobicContact CG-CB 4.26Å; L97-Y153 HydrophobicContact CD2-CD1 3.61Å; L97-Y153 HydrophobicContact CD2-CE1 3.5Å
98G88.6Confident88.5Confident40 Ų4059.6 Ų59.641%0.41233%0.33SS..SBendtrans154.7-98.5179.700000113.4C101 P102G98-C101 PolarHBondContact N-O 3.29Å; G98-P102 VanDerWaalsContact O-CA 3.29Å; G98-P102 WeakPolarHBondContact O-CA 3.28Å
99Y85.5Confident89.6Confident220 Ų22057.3 Ų57.386%0.86332%0.318SS*.SBendtrans-70.8-61.5-165.7178.3-107.2000113.6
100D88.9Confident90.2Very high40 Ų4056.6 Ų56.621%0.21431%0.313CS..SBendtrans-83.1-40.1178.258.4-19.5000110.7P102 G150 F151D100-P102 VanDerWaalsContact C-CD 3.46Å; D100-P102 WeakPolarHBondContact O-CD 3.15Å; D100-G150 WeakPolarHBondContact OD2-CA 3.37Å; D100-G150 PolarHBondContact OD2-N 3.02Å; D100-F151 HydrophobicContact CB-CD1 4.31Å; D100-F151 HydrophobicContact CB-CE1 3.92Å; D100-F151 WeakPolarHBondContact O-CD1 3.36Å; D100-F151 WeakPolarHBondContact O-CE1 3.41Å
101C92.6Very high90.9Very high0 Ų051.4 Ų51.40%028%0.28CS..SBendtrans-101.577.9174.6-62.70000111.7L97 G98 A148 S149 F151 Y153L97-C101 CarbonylContact C-O 3.55Å; L97-C101 WeakPolarHBondContact CA-O 3.5Å; L97-C101 HydrophobicContact CD2-CB 4.38Å; G98-C101 PolarHBondContact N-O 3.29Å; C101-A148 HydrophobicContact CB-CB 3.9Å; C101-S149 VanDerWaalsContact SG-C 3.58Å; C101-F151 PolarHBondContact SG-N 3.42Å; C101-Y153 VanDerWaalsContact C-OH 3.24Å; C101-Y153 WeakPolarHBondContact CA-OH 3.3Å; C101-Y153 HydrophobicContact CB-CD1 4.48Å; C101-Y153 HydrophobicContact CB-CE1 3.8Å
102P89.6Confident91.5Very high29 Ų2946.7 Ų46.719%0.18826%0.258CS..  trans-62.8146.2-178.328.4-37000111.8G98 D100 V104 Y153G98-P102 VanDerWaalsContact O-CA 3.29Å; G98-P102 WeakPolarHBondContact O-CA 3.28Å; D100-P102 VanDerWaalsContact C-CD 3.46Å; D100-P102 WeakPolarHBondContact O-CD 3.15Å; P102-V104 HydrophobicContact CB-CG1 4.39Å; P102-V104 HydrophobicContact CG-CG1 4.49Å; P102-V104 PolarHBondContact O-N 3.27Å; P102-Y153 VanDerWaalsContact CD-OH 3.29Å; P102-Y153 WeakPolarHBondContact CD-OH 3.26Å; P102-Y153 PolarHBondContact O-OH 3.01Å
103V85.3Confident92Very high10 Ų1046.8 Ų46.86%0.06126%0.259CS..  trans-77.2121.4167.7-179.60000107.7I81 N87 L97I81-V103 HydrophobicContact CB-CG1 3.91Å; I81-V103 HydrophobicContact CD1-CG1 4.03Å; I81-V103 HydrophobicContact CD1-CG2 3.96Å; I81-V103 HydrophobicContact CG1-CG1 4.12Å; N87-V103 PolarHBondContact ND2-O 3.16Å; N87-V103 WeakPolarHBondContact OD1-CB 3.46Å; N87-V103 WeakPolarHBondContact OD1-CG1 3.09Å; N87-V103 PolarHBondContact OD1-O 3.27Å; L97-V103 HydrophobicContact CB-CG2 3.89Å; L97-V103 HydrophobicContact CD1-CG2 4.49Å
104V84.2Confident92.3Very high52 Ų5243.4 Ų43.432%0.31523%0.231SC..  trans-137.7147.5177.8-64.30000108.9P102 G106 I107P102-V104 HydrophobicContact CB-CG1 4.39Å; P102-V104 HydrophobicContact CG-CG1 4.49Å; P102-V104 PolarHBondContact O-N 3.27Å; V104-G106 PolarHBondContact O-N 3.09Å; V104-I107 HydrophobicContact CG2-CB 4Å; V104-I107 HydrophobicContact CG2-CD1 3.77Å; V104-I107 HydrophobicContact CG2-CG1 4.34Å; V104-I107 WeakPolarHBondContact O-CB 3.4Å; V104-I107 PolarHBondContact O-N 3.43Å
105E86.3Confident92.6Very high165 Ų16537.1 Ų37.177%0.77120%0.197SC*.THydrogen-bonded Turntrans-57136.9174-170-179.6172.800110.1I107E105-I107 PolarHBondContact O-N 3.32Å
106G90.2Very high92.8Very high20 Ų2035.3 Ų35.321%0.20619%0.19CC..THydrogen-bonded Turntrans79.16.7-179.700000115.9S82 V104 F108 D109 Y110S82-G106 PolarHBondContact O-N 3.18Å; S82-G106 VanDerWaalsContact OG-C 3.24Å; S82-G106 VanDerWaalsContact OG-CA 3.27Å; S82-G106 WeakPolarHBondContact OG-CA 3.27Å; S82-G106 PolarHBondContact OG-N 3.37Å; V104-G106 PolarHBondContact O-N 3.09Å; G106-F108 VanDerWaalsContact C-N 3.25Å; G106-F108 PolarHBondContact O-N 3.41Å; G106-D109 PolarHBondContact O-N 3.01Å; G106-D109 VanDerWaalsContact O-N 3.12Å; G106-Y110 PolarHBondContact O-N 3.18Å
107I92.2Very high93Very high4 Ų434.6 Ų34.62%0.02118%0.183CC..Hα-helixtrans-61.9-31.2-179.6-162.269.5000113.7L78 S82 V104 E105 Y110 A111 Y153L78-I107 HydrophobicContact CD1-CG2 3.74Å; L78-I107 HydrophobicContact CG-CG2 4.46Å; S82-I107 PolarHBondContact OG-N 2.92Å; S82-I107 VanDerWaalsContact OG-N 3.11Å; V104-I107 HydrophobicContact CG2-CB 4Å; V104-I107 HydrophobicContact CG2-CD1 3.77Å; V104-I107 HydrophobicContact CG2-CG1 4.34Å; V104-I107 WeakPolarHBondContact O-CB 3.4Å; V104-I107 PolarHBondContact O-N 3.43Å; E105-I107 PolarHBondContact O-N 3.32Å; I107-Y110 HydrophobicContact CD1-CD1 4.22Å; I107-A111 WeakPolarHBondContact O-CB 3.17Å; I107-A111 PolarHBondContact O-N 2.69Å; I107-Y153 HydrophobicContact CD1-CD1 4.18Å; I107-Y153 HydrophobicContact CD1-CD2 3.73Å; I107-Y153 HydrophobicContact CD1-CE1 3.83Å; I107-Y153 HydrophobicContact CD1-CE2 3.37Å; I107-Y153 HydrophobicContact CD1-CG 4.12Å; I107-Y153 HydrophobicContact CG1-CD1 3.58Å; I107-Y153 HydrophobicContact CG1-CD2 3.97Å; I107-Y153 HydrophobicContact CG1-CE1 3.48Å; I107-Y153 VanDerWaalsContact CG1-CE1 3.48Å; I107-Y153 HydrophobicContact CG1-CE2 3.92Å; I107-Y153 HydrophobicContact CG1-CG 3.81Å
108F95.4Very high93.3Very high17 Ų1734.1 Ų34.18%0.07518%0.18CC..Hα-helixtrans-68-42.3174.8-179.3-89.4000111.2M63 M66 L78 H79 S82 G106 Y110 A111 A112M63-F108 HydrophobicContact CE-CE2 3.49Å; M63-F108 VanDerWaalsContact CE-CE2 3.49Å; M63-F108 HydrophobicContact CE-CZ 3.44Å; M63-F108 VanDerWaalsContact CE-CZ 3.44Å; M63-F108 HydrophobicContact SD-CE2 3.58Å; M63-F108 VanDerWaalsContact SD-CE2 3.58Å; M63-F108 HydrophobicContact SD-CZ 3.59Å; M63-F108 VanDerWaalsContact SD-CZ 3.59Å; M66-F108 HydrophobicContact CE-CD2 4.49Å; M66-F108 HydrophobicContact CE-CE1 4.17Å; M66-F108 HydrophobicContact CE-CE2 3.56Å; M66-F108 HydrophobicContact CE-CZ 3.36Å; L78-F108 HydrophobicContact CB-CD2 4.39Å; L78-F108 HydrophobicContact CD2-CD2 4.35Å; L78-F108 HydrophobicContact CG-CD2 4.25Å; H79-F108 HydrophobicContact CB-CD2 3.66Å; H79-F108 HydrophobicContact CB-CE2 3.83Å; H79-F108 HydrophobicContact CB-CG 4.06Å; H79-F108 HydrophobicContact CB-CZ 4.36Å; H79-F108 AromaticContact CE1-CD1 3.99Å; H79-F108 AromaticContact CE1-CE1 4Å; H79-F108 AromaticContact ND1-CD1 3.2Å; H79-F108 WeakPolarHBondContact ND1-CD1 3.34Å; H79-F108 AromaticContact ND1-CD2 3.85Å; H79-F108 AromaticContact ND1-CE1 3.35Å; H79-F108 WeakPolarHBondContact ND1-CE1 3.44Å; H79-F108 AromaticContact ND1-CE2 3.98Å; H79-F108 AromaticContact ND1-CG 3.46Å; H79-F108 WeakPolarHBondContact ND1-CG 3.49Å; H79-F108 AromaticContact ND1-CZ 3.74Å; S82-F108 VanDerWaalsContact CB-CB 3.43Å; S82-F108 WeakPolarHBondContact OG-CB 3.44Å; S82-F108 PolarHBondContact OG-N 3.26Å; G106-F108 VanDerWaalsContact C-N 3.25Å; G106-F108 PolarHBondContact O-N 3.41Å; F108-Y110 VanDerWaalsContact C-N 3.32Å; F108-Y110 PolarHBondContact O-N 2.98Å; F108-A111 PolarHBondContact O-N 3.41Å; F108-A112 HydrophobicContact CE1-CB 4.37Å; F108-A112 VanDerWaalsContact O-CB 3.28Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.06Å
109D95.6Very high93.8Very high97 Ų9732.2 Ų32.252%0.51916%0.161SC..Hα-helixtrans-65.1-39.7178.5-62.9-38.8000110.8G106 A113G106-D109 PolarHBondContact O-N 3.01Å; G106-D109 VanDerWaalsContact O-N 3.12Å; D109-A113 WeakPolarHBondContact O-CB 3.19Å; D109-A113 PolarHBondContact O-N 2.79Å
110Y96.1Very high94.4Very high7 Ų722.1 Ų22.13%0.02712%0.122CC..Hα-helixtrans-56.7-53.5169.8170-92.9000111.8C27 L30 G106 I107 F108 A112 A113 V114 W140C27-Y110 HydrophobicContact CB-CE2 4.5Å; L30-Y110 HydrophobicContact CB-CD2 4.49Å; L30-Y110 HydrophobicContact CB-CE2 3.88Å; L30-Y110 HydrophobicContact CD2-CE1 4.44Å; L30-Y110 HydrophobicContact CD2-CE2 4.49Å; L30-Y110 WeakPolarHBondContact CD2-OH 3.34Å; G106-Y110 PolarHBondContact O-N 3.18Å; I107-Y110 HydrophobicContact CD1-CD1 4.22Å; F108-Y110 VanDerWaalsContact C-N 3.32Å; F108-Y110 PolarHBondContact O-N 2.98Å; Y110-A112 VanDerWaalsContact C-N 3.34Å; Y110-A112 PolarHBondContact O-N 3.08Å; Y110-A113 PolarHBondContact O-N 2.88Å; Y110-V114 HydrophobicContact CD2-CG2 4.43Å; Y110-V114 HydrophobicContact CE1-CG2 4.28Å; Y110-V114 HydrophobicContact CE2-CG2 4Å; Y110-V114 WeakPolarHBondContact O-CG2 3.25Å; Y110-V114 PolarHBondContact O-N 3.31Å; Y110-W140 WeakPolarHBondContact OH-CZ2 3.26Å; Y110-W140 PolarHBondContact OH-NE1 3.48Å; Y110-W140 VanDerWaalsContact OH-NE1 3.14Å
111A97Very high94.9Very high3 Ų320.2 Ų20.23%0.02511%0.112CC..Hα-helixtrans-61.8-42.4-177.800000112L78 I107 F108 V114 G115 V154L78-A111 HydrophobicContact CD2-CB 4.19Å; I107-A111 WeakPolarHBondContact O-CB 3.17Å; I107-A111 PolarHBondContact O-N 2.69Å; F108-A111 PolarHBondContact O-N 3.41Å; A111-V114 PolarHBondContact O-N 3.49Å; A111-G115 PolarHBondContact O-N 3.17Å; A111-V154 HydrophobicContact CB-CB 4.01Å; A111-V154 HydrophobicContact CB-CG2 3.68Å
112A98.4Very high95.2Very high1 Ų120.2 Ų20.21%0.00811%0.112CC..Hα-helixtrans-67.3-38.4177.200000112.4V60 A61 M66 F108 Y110 G116V60-A112 HydrophobicContact CG1-CB 3.61Å; A61-A112 WeakPolarHBondContact CB-O 3.31Å; A61-A112 PolarHBondContact N-O 3.16Å; M66-A112 HydrophobicContact CE-CB 3.97Å; M66-A112 HydrophobicContact SD-CB 4.12Å; F108-A112 HydrophobicContact CE1-CB 4.37Å; F108-A112 VanDerWaalsContact O-CB 3.28Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.06Å; Y110-A112 VanDerWaalsContact C-N 3.34Å; Y110-A112 PolarHBondContact O-N 3.08Å; A112-G116 PolarHBondContact O-N 3.15Å
113A98.7Very high95.6Very high7 Ų721.3 Ų21.36%0.05811%0.114CC..Hα-helixtrans-64.5-45.1175.800000111.4Y23 T26 D109 Y110 G116 A117Y23-A113 HydrophobicContact CD2-CB 4.13Å; Y23-A113 HydrophobicContact CE2-CB 4.26Å; Y23-A113 WeakPolarHBondContact CE2-O 3.34Å; T26-A113 HydrophobicContact CG2-CB 3.83Å; D109-A113 WeakPolarHBondContact O-CB 3.19Å; D109-A113 PolarHBondContact O-N 2.79Å; Y110-A113 PolarHBondContact O-N 2.88Å; A113-G116 PolarHBondContact O-N 3.39Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.06Å
114V98.4Very high96.3Very high4 Ų421.2 Ų21.22%0.02411%0.114CC..Hα-helixtrans-67.7-45.9178.5177.10000111.8Y23 Y110 A111 G116 A117 T118 D156Y23-V114 HydrophobicContact CE2-CG2 4.33Å; Y110-V114 HydrophobicContact CD2-CG2 4.43Å; Y110-V114 HydrophobicContact CE1-CG2 4.28Å; Y110-V114 HydrophobicContact CE2-CG2 4Å; Y110-V114 WeakPolarHBondContact O-CG2 3.25Å; Y110-V114 PolarHBondContact O-N 3.31Å; A111-V114 PolarHBondContact O-N 3.49Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.34Å; V114-A117 PolarHBondContact O-N 3.39Å; V114-T118 PolarHBondContact O-N 3.22Å; V114-T118 VanDerWaalsContact O-N 3.14Å; V114-D156 HydrophobicContact CG1-CB 4.01Å
115G98.8Very high96.9Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-57.5-44.717400000112A111 A117 T118 L119A111-G115 PolarHBondContact O-N 3.17Å; G115-A117 PolarHBondContact O-N 3.35Å; G115-T118 PolarHBondContact O-N 3.03Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 2.83Å
116G98.9Very high97.5Very high0 Ų011.5 Ų11.50%07%0.066CC..Hα-helixtrans-67.2-35.2179.800000113.4R59 A112 A113 V114 L119 T120R59-G116 CarbonylContact O-C 3.1Å; R59-G116 WeakPolarHBondContact O-CA 3.45Å; A112-G116 PolarHBondContact O-N 3.15Å; A113-G116 PolarHBondContact O-N 3.39Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.34Å; G116-L119 PolarHBondContact O-N 3.42Å; G116-T120 WeakPolarHBondContact O-CB 3.32Å; G116-T120 PolarHBondContact O-N 3.18Å; G116-T120 PolarHBondContact O-OG1 2.98Å
117A98.9Very high97.9Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-64.6-44.2174.500000112.3I18 Y23 P58 A113 V114 G115 T120 A121 N135I18-A117 HydrophobicContact CG2-CB 3.8Å; Y23-A117 HydrophobicContact CD2-CB 4.4Å; Y23-A117 HydrophobicContact CE1-CB 3.85Å; Y23-A117 HydrophobicContact CE2-CB 3.68Å; Y23-A117 WeakPolarHBondContact OH-CB 3.49Å; P58-A117 HydrophobicContact CB-CB 3.69Å; P58-A117 HydrophobicContact CG-CB 4.38Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 3.06Å; V114-A117 PolarHBondContact O-N 3.39Å; G115-A117 PolarHBondContact O-N 3.35Å; A117-T120 WeakPolarHBondContact O-CB 3.4Å; A117-T120 PolarHBondContact O-N 2.89Å; A117-A121 PolarHBondContact O-N 3.41Å; A117-N135 WeakPolarHBondContact CB-ND2 3.44Å
118T98.9Very high98.2Very high0 Ų021.5 Ų21.50%011%0.11CC..Hα-helixtrans-69.1-37.1176.4-64.10000112.1V114 G115 T120 A121 A122 N135 D156 L298 L300V114-T118 PolarHBondContact O-N 3.22Å; V114-T118 VanDerWaalsContact O-N 3.14Å; G115-T118 PolarHBondContact O-N 3.03Å; T118-T120 VanDerWaalsContact C-N 3.35Å; T118-T120 PolarHBondContact O-N 3.04Å; T118-A121 WeakPolarHBondContact O-CB 3.34Å; T118-A121 PolarHBondContact O-N 3.4Å; T118-A122 PolarHBondContact O-N 2.79Å; T118-N135 PolarHBondContact N-ND2 3.28Å; T118-N135 PolarHBondContact OG1-ND2 3.19Å; T118-D156 WeakPolarHBondContact CB-OD2 3.4Å; T118-D156 HydrophobicContact CG2-CB 4.42Å; T118-D156 WeakPolarHBondContact CG2-O 3.39Å; T118-D156 PolarHBondContact OG1-OD2 3.24Å; T118-L298 HydrophobicContact CG2-CD1 4.27Å; T118-L298 HydrophobicContact CG2-CD2 4.16Å; T118-L300 HydrophobicContact CG2-CD1 4.27Å; T118-L300 HydrophobicContact CG2-CD2 4.01Å; T118-L300 WeakPolarHBondContact OG1-CD2 3.23Å
119L98.9Very high98.3Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-61.8-41.6170.5-71.9171.9000112A61 E65 M68 G115 G116 A121 A122 E123 L159 K163A61-L119 HydrophobicContact CB-CD1 4.19Å; E65-L119 HydrophobicContact CB-CD1 3.92Å; E65-L119 HydrophobicContact CG-CD1 4.46Å; M68-L119 HydrophobicContact CE-CD2 4.13Å; G115-L119 WeakPolarHBondContact O-CG 3.2Å; G115-L119 PolarHBondContact O-N 2.83Å; G116-L119 PolarHBondContact O-N 3.42Å; L119-A121 PolarHBondContact O-N 3.21Å; L119-A122 PolarHBondContact O-N 3.37Å; L119-E123 WeakPolarHBondContact O-CB 3.49Å; L119-E123 VanDerWaalsContact O-CG 3.31Å; L119-E123 WeakPolarHBondContact O-CG 3.2Å; L119-E123 PolarHBondContact O-N 2.82Å; L119-L159 HydrophobicContact CD2-CB 4.15Å; L119-L159 HydrophobicContact CG-CB 4.4Å; L119-K163 HydrophobicContact CD2-CB 3.83Å; L119-K163 HydrophobicContact CD2-CG 4.14Å
120T98.9Very high98.4Very high9 Ų922.5 Ų22.56%0.05511%0.11CC..Hα-helixtrans-61-43.1175.3-54.10000111.3I18 V56 R59 G116 A117 T118 E123 C124I18-T120 HydrophobicContact CD1-CG2 4.15Å; V56-T120 HydrophobicContact CG1-CG2 3.77Å; R59-T120 WeakPolarHBondContact CG-OG1 3.45Å; R59-T120 PolarHBondContact N-OG1 2.67Å; G116-T120 WeakPolarHBondContact O-CB 3.32Å; G116-T120 PolarHBondContact O-N 3.18Å; G116-T120 PolarHBondContact O-OG1 2.98Å; A117-T120 WeakPolarHBondContact O-CB 3.4Å; A117-T120 PolarHBondContact O-N 2.89Å; T118-T120 VanDerWaalsContact C-N 3.35Å; T118-T120 PolarHBondContact O-N 3.04Å; T120-E123 PolarHBondContact O-N 3.23Å; T120-C124 PolarHBondContact O-N 2.98Å; T120-C124 PolarHBondContact O-SG 2.82Å
121A98.9Very high98.6Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-60.4-46.817500000111.7I18 A117 T118 L119 E123 C124 L125 A133 L298I18-A121 HydrophobicContact CD1-CB 4.19Å; I18-A121 HydrophobicContact CG1-CB 3.75Å; A117-A121 PolarHBondContact O-N 3.41Å; T118-A121 WeakPolarHBondContact O-CB 3.34Å; T118-A121 PolarHBondContact O-N 3.4Å; L119-A121 PolarHBondContact O-N 3.21Å; A121-E123 PolarHBondContact O-N 2.89Å; A121-C124 WeakPolarHBondContact O-CB 3.44Å; A121-C124 PolarHBondContact O-N 3.18Å; A121-L125 PolarHBondContact O-N 3.42Å; A121-A133 HydrophobicContact CB-CB 3.77Å; A121-A133 WeakPolarHBondContact O-CB 3.44Å; A121-L298 HydrophobicContact CB-CD1 3.73Å; A121-L298 HydrophobicContact CB-CG 4.03Å
122A98.9Very high98.7Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-62.5-42.3177.800000111.6T118 L119 C124 L125 L126 K163 L164 L298T118-A122 PolarHBondContact O-N 2.79Å; L119-A122 PolarHBondContact O-N 3.37Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.14Å; A122-L125 WeakPolarHBondContact O-CB 3.29Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-L125 VanDerWaalsContact O-N 3.13Å; A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.4Å; A122-K163 HydrophobicContact CB-CB 3.77Å; A122-K163 HydrophobicContact CB-CG 3.58Å; A122-L164 HydrophobicContact CB-CD2 4.3Å; A122-L164 HydrophobicContact CB-CG 4.23Å; A122-L298 HydrophobicContact CB-CD1 3.81Å
123E98.8Very high98.7Very high51 Ų5124.6 Ų24.624%0.23812%0.121CC..Hα-helixtrans-58.8-41.3174.3-75.8169.5176.500112.4R59 L119 T120 A121 L125 L126 D127 K163R59-E123 IonicContact CZ-OE1 3.95Å; R59-E123 IonicContact CZ-OE2 2.65Å; R59-E123 IonicContact NE-OE1 3.81Å; R59-E123 PolarHBondContact NE-OE1 3.17Å; R59-E123 IonicContact NE-OE2 2.69Å; R59-E123 PolarHBondContact NE-OE2 2.85Å; R59-E123 VanDerWaalsContact NE-OE2 3.11Å; R59-E123 IonicContact NH2-OE1 2.89Å; R59-E123 PolarHBondContact NH2-OE1 2.85Å; R59-E123 IonicContact NH2-OE2 3.92Å; L119-E123 WeakPolarHBondContact O-CB 3.49Å; L119-E123 VanDerWaalsContact O-CG 3.31Å; L119-E123 WeakPolarHBondContact O-CG 3.2Å; L119-E123 PolarHBondContact O-N 2.82Å; T120-E123 PolarHBondContact O-N 3.23Å; A121-E123 PolarHBondContact O-N 2.89Å; E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 2.93Å; E123-L126 PolarHBondContact O-N 3.26Å; E123-D127 VanDerWaalsContact O-CB 3.28Å; E123-D127 WeakPolarHBondContact O-CB 3.47Å; E123-D127 VanDerWaalsContact O-CG 3.32Å; E123-D127 PolarHBondContact O-N 3.13Å; E123-K163 HydrophobicContact CG-CD 4.47Å; E123-K163 HydrophobicContact CG-CG 4.44Å; E123-K163 WeakPolarHBondContact OE1-CE 3.26Å; E123-K163 IonicContact OE1-NZ 3.11Å
124C98.8Very high98.7Very high9 Ų924.2 Ų24.26%0.06112%0.119CC..Hα-helixtrans-60.7-35.6176.1-68.50000112.8A16 T120 A121 A122 Q128 K129A16-C124 HydrophobicContact CB-CB 4.35Å; T120-C124 PolarHBondContact O-N 2.98Å; T120-C124 PolarHBondContact O-SG 2.82Å; A121-C124 WeakPolarHBondContact O-CB 3.44Å; A121-C124 PolarHBondContact O-N 3.18Å; A122-C124 VanDerWaalsContact C-N 3.32Å; A122-C124 PolarHBondContact O-N 3.14Å; C124-Q128 PolarHBondContact O-N 2.93Å; C124-K129 WeakPolarHBondContact O-CB 3.31Å; C124-K129 PolarHBondContact O-N 3.34Å
125L98.8Very high98.7Very high5 Ų524.1 Ų24.13%0.02612%0.118CC..Hα-helixtrans-72.9-46.5175.3-66.7168.7000111.3A121 A122 E123 D127 Q128 D131 A133 L164 P296 L298A121-L125 PolarHBondContact O-N 3.42Å; A122-L125 WeakPolarHBondContact O-CB 3.29Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-L125 VanDerWaalsContact O-N 3.13Å; E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 2.93Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.88Å; L125-Q128 WeakPolarHBondContact O-CA 3.37Å; L125-Q128 PolarHBondContact O-N 3.43Å; L125-D131 WeakPolarHBondContact CD2-O 3.47Å; L125-A133 HydrophobicContact CD1-CB 4.11Å; L125-A133 HydrophobicContact CD2-CB 4.26Å; L125-A133 HydrophobicContact CG-CB 3.94Å; L125-L164 HydrophobicContact CB-CD2 4.23Å; L125-L164 HydrophobicContact CD1-CD2 4.13Å; L125-P296 HydrophobicContact CB-CB 4.29Å; L125-P296 HydrophobicContact CD2-CB 4.09Å; L125-L298 HydrophobicContact CD1-CB 3.69Å; L125-L298 HydrophobicContact CD1-CD1 4.37Å; L125-L298 HydrophobicContact CD1-CG 4.35Å
126L98.6Very high98.7Very high8 Ų824.4 Ų24.44%0.04212%0.119CC..Hα-helixtrans-62.3-34.2178.9-68.1-178.3000113A122 E123 Q128 K163 L164 E166 K167A122-L126 WeakPolarHBondContact O-CG 3.27Å; A122-L126 PolarHBondContact O-N 3.4Å; E123-L126 PolarHBondContact O-N 3.26Å; L126-Q128 PolarHBondContact O-N 2.98Å; L126-K163 HydrophobicContact CD1-CD 3.98Å; L126-K163 HydrophobicContact CD1-CG 3.96Å; L126-K163 WeakPolarHBondContact CD1-O 3.32Å; L126-L164 HydrophobicContact CD2-CD2 4.35Å; L126-E166 HydrophobicContact CD1-CB 4.49Å; L126-K167 HydrophobicContact CB-CD 4.24Å; L126-K167 HydrophobicContact CD2-CB 3.81Å; L126-K167 HydrophobicContact CD2-CD 4.03Å; L126-K167 HydrophobicContact CD2-CG 3.91Å; L126-K167 PolarHBondContact O-NZ 3.29Å
127D98.4Very high98.7Very high84 Ų8425 Ų2545%0.44912%0.123SC..THydrogen-bonded Turntrans-80.1-0175.6-73.4-10.1000112.7E123 L125 K129E123-D127 VanDerWaalsContact O-CB 3.28Å; E123-D127 WeakPolarHBondContact O-CB 3.47Å; E123-D127 VanDerWaalsContact O-CG 3.32Å; E123-D127 PolarHBondContact O-N 3.13Å; L125-D127 VanDerWaalsContact C-N 3.27Å; L125-D127 PolarHBondContact O-N 2.88Å; D127-K129 HydrophobicContact CB-CD 3.9Å; D127-K129 HydrophobicContact CB-CG 3.88Å; D127-K129 PolarHBondContact O-N 2.5Å; D127-K129 VanDerWaalsContact O-N 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.4Å; D127-K129 IonicContact OD2-NZ 2.74Å; D127-K129 PolarHBondContact OD2-NZ 2.63Å
128Q97.7Very high98.7Very high149 Ų14925 Ų2570%0.69612%0.123SC*.THydrogen-bonded Turntrans56.128.2-177.3-53.5177.36.900112.9R14 C124 L125 L126 C130R14-Q128 PolarHBondContact NH1-O 3.12Å; R14-Q128 PolarHBondContact NH2-O 2.78Å; R14-Q128 VanDerWaalsContact NH2-O 3.12Å; C124-Q128 PolarHBondContact O-N 2.93Å; L125-Q128 WeakPolarHBondContact O-CA 3.37Å; L125-Q128 PolarHBondContact O-N 3.43Å; L126-Q128 PolarHBondContact O-N 2.98Å; Q128-C130 VanDerWaalsContact C-N 3.32Å
129K97.8Very high98.7Very high129 Ų12925 Ų2556%0.56112%0.124SC*.SBendtrans-75.1-25.9176.6-69.8169.2177.7152.10111.7C124 D127C124-K129 WeakPolarHBondContact O-CB 3.31Å; C124-K129 PolarHBondContact O-N 3.34Å; D127-K129 HydrophobicContact CB-CD 3.9Å; D127-K129 HydrophobicContact CB-CG 3.88Å; D127-K129 PolarHBondContact O-N 2.5Å; D127-K129 VanDerWaalsContact O-N 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.4Å; D127-K129 IonicContact OD2-NZ 2.74Å; D127-K129 PolarHBondContact OD2-NZ 2.63Å
130C98.5Very high98.7Very high6 Ų625.5 Ų25.54%0.04113%0.126CC..  trans-143164.4178.262.30000110.5R14 A16 Q128R14-C130 WeakPolarHBondContact O-CB 3.28Å; A16-C130 HydrophobicContact CB-CB 3.85Å; Q128-C130 VanDerWaalsContact C-N 3.32Å
131D98.6Very high98.6Very high52 Ų5225.3 Ų25.328%0.27812%0.124SC..SBendtrans-98.1-28.9172.2-45-48.8000110.1R14 L125 P296 T297R14-D131 WeakPolarHBondContact CB-OD2 3.46Å; R14-D131 IonicContact CZ-OD1 2.81Å; R14-D131 PolarHBondContact N-OD2 2.91Å; R14-D131 IonicContact NE-OD1 3.44Å; R14-D131 PolarHBondContact NE-OD1 3.22Å; R14-D131 IonicContact NE-OD2 3.96Å; R14-D131 PolarHBondContact NE-OD2 3.48Å; R14-D131 IonicContact NH2-OD1 2.83Å; R14-D131 PolarHBondContact NH2-OD1 2.76Å; R14-D131 PolarHBondContact O-N 3Å; L125-D131 WeakPolarHBondContact CD2-O 3.47Å; D131-P296 WeakPolarHBondContact O-CA 3.49Å; D131-T297 PolarHBondContact O-N 3.31Å
132V98.9Very high98.6Very high3 Ų325.6 Ų25.62%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-130.4133.4174.3-176.20000109.7R14 V15 A16 I134 L291 T297 L299 V321R14-V132 PolarHBondContact O-N 3Å; V15-V132 CarbonylContact C-O 3.38Å; V15-V132 VanDerWaalsContact CA-O 3.31Å; V15-V132 WeakPolarHBondContact CA-O 3.28Å; A16-V132 PolarHBondContact N-O 3.45Å; V132-I134 HydrophobicContact CG1-CG1 4.28Å; V132-L291 HydrophobicContact CG2-CD2 3.78Å; V132-T297 CarbonylContact C-O 3.37Å; V132-T297 VanDerWaalsContact CA-O 3.26Å; V132-T297 WeakPolarHBondContact CA-O 3.37Å; V132-L299 HydrophobicContact CG1-CD1 3.64Å; V132-L299 HydrophobicContact CG1-CG 3.85Å; V132-V321 HydrophobicContact CB-CG1 4.12Å; V132-V321 HydrophobicContact CG1-CG1 3.9Å; V132-V321 HydrophobicContact CG2-CG1 4.19Å
133A98.9Very high98.6Very high0 Ų025.6 Ų25.60%013%0.126CC..EExtended strand (participates in β ladder)trans-118.5134.9171.800000110A16 A121 L125 T297 L298 L299A16-A133 HydrophobicContact CB-CB 4.31Å; A16-A133 CarbonylContact O-C 3.54Å; A16-A133 WeakPolarHBondContact O-CA 3.37Å; A121-A133 HydrophobicContact CB-CB 3.77Å; A121-A133 WeakPolarHBondContact O-CB 3.44Å; L125-A133 HydrophobicContact CD1-CB 4.11Å; L125-A133 HydrophobicContact CD2-CB 4.26Å; L125-A133 HydrophobicContact CG-CB 3.94Å; A133-T297 PolarHBondContact N-O 2.91Å; A133-L298 CarbonylContact O-C 3.58Å; A133-L298 WeakPolarHBondContact O-CA 3.43Å; A133-L299 PolarHBondContact O-N 3.21Å
134I98.9Very high98.6Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-118.4123.9-174.2-60.1173.4000109.7V15 A16 Y17 I18 M53 V132 W136 L299 T318 V321V15-I134 HydrophobicContact CG1-CD1 3.63Å; V15-I134 HydrophobicContact CG1-CG1 4.17Å; A16-I134 PolarHBondContact O-N 3.32Å; Y17-I134 HydrophobicContact CD2-CB 4.16Å; Y17-I134 HydrophobicContact CD2-CG2 3.97Å; Y17-I134 HydrophobicContact CE2-CG2 4.35Å; I18-I134 WeakPolarHBondContact CG1-O 3.33Å; I18-I134 PolarHBondContact N-O 3.45Å; M53-I134 HydrophobicContact SD-CD1 4.36Å; V132-I134 HydrophobicContact CG1-CG1 4.28Å; I134-W136 HydrophobicContact CG2-CD2 3.65Å; I134-W136 HydrophobicContact CG2-CE3 4.37Å; I134-W136 HydrophobicContact CG2-CG 3.9Å; I134-W136 HydrophobicContact CG2-CH2 4.42Å; I134-W136 HydrophobicContact CG2-CZ2 3.75Å; I134-L299 HydrophobicContact CG1-CB 4.25Å; I134-L299 HydrophobicContact CG1-CD1 4.09Å; I134-T318 HydrophobicContact CD1-CG2 4.42Å; I134-V321 HydrophobicContact CD1-CG2 4.49Å
135N98.9Very high98.6Very high1 Ų128.7 Ų28.71%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-12990.6166.6179.522.8000110.5I18 Y23 A117 T118 A137 G138 L299 L300 G301I18-N135 HydrophobicContact CB-CB 4.25Å; I18-N135 HydrophobicContact CG1-CB 4.32Å; Y23-N135 PolarHBondContact OH-ND2 2.92Å; Y23-N135 PolarHBondContact OH-OD1 3.36Å; A117-N135 WeakPolarHBondContact CB-ND2 3.44Å; T118-N135 PolarHBondContact N-ND2 3.28Å; T118-N135 PolarHBondContact OG1-ND2 3.19Å; N135-A137 VanDerWaalsContact C-N 3.25Å; N135-A137 PolarHBondContact O-N 3.3Å; N135-A137 PolarHBondContact OD1-N 3.15Å; N135-G138 PolarHBondContact O-N 3Å; N135-L299 PolarHBondContact N-O 3.48Å; N135-L300 HydrophobicContact CB-CD2 3.9Å; N135-L300 WeakPolarHBondContact O-CA 3.28Å; N135-G301 PolarHBondContact O-N 3.18Å
136W98.9Very high98.5Very high7 Ų732.2 Ų32.23%0.02716%0.156CC..THydrogen-bonded Turntrans-68.1-20.6-177.1-68.7137.7000114.7Y17 V40 I134 L263 L299 G301 W314 L317 T318Y17-W136 AromaticContact CE2-CD1 3.8Å; V40-W136 HydrophobicContact CG1-CB 4.22Å; V40-W136 HydrophobicContact CG1-CG 4.22Å; I134-W136 HydrophobicContact CG2-CD2 3.65Å; I134-W136 HydrophobicContact CG2-CE3 4.37Å; I134-W136 HydrophobicContact CG2-CG 3.9Å; I134-W136 HydrophobicContact CG2-CH2 4.42Å; I134-W136 HydrophobicContact CG2-CZ2 3.75Å; W136-L263 HydrophobicContact CH2-CD1 3.6Å; W136-L263 HydrophobicContact CZ3-CB 4.07Å; W136-L263 HydrophobicContact CZ3-CD1 3.6Å; W136-L263 HydrophobicContact CZ3-CG 4.45Å; W136-L299 HydrophobicContact CH2-CB 4.5Å; W136-G301 WeakPolarHBondContact O-CA 3.36Å; W136-W314 HydrophobicContact CB-CD2 4.33Å; W136-W314 HydrophobicContact CB-CE3 3.8Å; W136-W314 HydrophobicContact CB-CZ3 4.19Å; W136-W314 HydrophobicContact CD2-CB 3.83Å; W136-W314 HydrophobicContact CD2-CD2 4.19Å; W136-W314 AromaticContact CD2-CG 3.89Å; W136-W314 HydrophobicContact CD2-CG 3.89Å; W136-W314 HydrophobicContact CE3-CB 4.19Å; W136-W314 AromaticContact CE3-CD1 3.9Å; W136-W314 HydrophobicContact CE3-CD2 4Å; W136-W314 AromaticContact CE3-CG 3.78Å; W136-W314 HydrophobicContact CE3-CG 3.78Å; W136-W314 HydrophobicContact CG-CB 4.15Å; W136-W314 HydrophobicContact CG-CD2 4.35Å; W136-W314 HydrophobicContact CG-CE3 4.2Å; W136-W314 HydrophobicContact CG-CG 4.36Å; W136-W314 HydrophobicContact CZ2-CB 4.27Å; W136-W314 AromaticContact CZ3-CD1 3.91Å; W136-W314 HydrophobicContact CZ3-CG 4.18Å; W136-W314 WeakPolarHBondContact O-CH2 3.25Å; W136-W314 VanDerWaalsContact O-CZ3 3.3Å; W136-W314 WeakPolarHBondContact O-CZ3 3.42Å; W136-L317 HydrophobicContact CH2-CB 4.04Å; W136-L317 HydrophobicContact CH2-CD1 4.39Å; W136-L317 HydrophobicContact CZ2-CB 4.21Å; W136-T318 WeakPolarHBondContact CZ2-OG1 3.41Å; W136-T318 PolarHBondContact NE1-OG1 2.97Å
137A98.4Very high98.5Very high11 Ų1135.8 Ų35.89%0.09117%0.173CC..THydrogen-bonded Turntrans-89.8-1.7178.700000113.6Y23 C27 N135 W140Y23-A137 HydrophobicContact CE1-CB 4.03Å; Y23-A137 WeakPolarHBondContact OH-CB 3.46Å; C27-A137 HydrophobicContact CB-CB 4.08Å; C27-A137 VanDerWaalsContact SG-CB 3.55Å; N135-A137 VanDerWaalsContact C-N 3.25Å; N135-A137 PolarHBondContact O-N 3.3Å; N135-A137 PolarHBondContact OD1-N 3.15Å; A137-W140 PolarHBondContact O-NE1 3.01Å
138G98.7Very high98.5Very high0 Ų031.9 Ų31.90%015%0.152CC..  trans-92.6-171.2168.700000113.3N135 D156 G301 G302N135-G138 PolarHBondContact O-N 3Å; G138-D156 VanDerWaalsContact CA-OD2 3.24Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G138-G301 CarbonylContact O-C 3.54Å; G138-G301 WeakPolarHBondContact O-CA 3.12Å; G138-G301 PolarHBondContact O-N 3.14Å; G138-G301 VanDerWaalsContact O-N 3.15Å; G138-G302 PolarHBondContact O-N 3.03Å; G138-G302 VanDerWaalsContact O-N 3.16Å
139G98.7Very high98.5Very high1 Ų125.4 Ų25.41%0.0112%0.123CC..  trans100.525.3178.900000114.2H141 D156G139-H141 VanDerWaalsContact C-N 3.27Å; G139-H141 PolarHBondContact O-N 3.36Å; G139-D156 PolarHBondContact N-OD1 3.48Å; G139-D156 PolarHBondContact N-OD2 3.1Å
140W98.6Very high98.4Very high11 Ų1119.6 Ų19.64%0.04210%0.1CC..  trans-80.873.9-178.1-60.6101000110.9L30 V33 Y110 A137 H142 F151 C152 D156L30-W140 HydrophobicContact CD2-CH2 3.26Å; L30-W140 HydrophobicContact CD2-CZ2 3.62Å; L30-W140 HydrophobicContact CD2-CZ3 3.91Å; V33-W140 HydrophobicContact CG2-CH2 4.14Å; Y110-W140 WeakPolarHBondContact OH-CZ2 3.26Å; Y110-W140 PolarHBondContact OH-NE1 3.48Å; Y110-W140 VanDerWaalsContact OH-NE1 3.14Å; A137-W140 PolarHBondContact O-NE1 3.01Å; W140-H142 PolarHBondContact O-N 3.37Å; W140-F151 HydrophobicContact CE3-CB 4.37Å; W140-F151 HydrophobicContact CZ3-CB 3.93Å; W140-C152 WeakPolarHBondContact CA-SG 3.19Å; W140-C152 HydrophobicContact CB-CB 3.76Å; W140-C152 VanDerWaalsContact CB-SG 3.59Å; W140-D156 PolarHBondContact N-OD1 3.33Å
141H98.8Very high98.2Very high5 Ų520.9 Ų20.92%0.02310%0.104CC..THydrogen-bonded Turntrans-76.5-9.9-164.263.1174.3000116.6G139 N155 D175 D177 H179 G181 G183 V184G139-H141 VanDerWaalsContact C-N 3.27Å; G139-H141 PolarHBondContact O-N 3.36Å; H141-N155 PolarHBondContact O-ND2 3.17Å; H141-N155 VanDerWaalsContact O-ND2 3.13Å; H141-D175 IonicContact CE1-OD1 3.8Å; H141-D175 IonicContact CE1-OD2 3.68Å; H141-D175 IonicContact CG-OD2 3.88Å; H141-D175 IonicContact ND1-OD1 2.78Å; H141-D175 IonicContact ND1-OD2 2.71Å; H141-D175 PolarHBondContact ND1-OD2 2.86Å; H141-D177 VanDerWaalsContact CE1-CB 3.48Å; H141-D177 WeakPolarHBondContact CE1-CB 3.18Å; H141-D177 IonicContact CE1-OD1 3.32Å; H141-D177 IonicContact NE2-OD1 3.45Å; H141-H179 PolarHBondContact CE1-O 3.46Å; H141-G181 WeakPolarHBondContact ND1-CA 3.33Å; H141-G183 WeakPolarHBondContact O-CA 3.4Å; H141-G183 PolarHBondContact O-N 3Å; H141-G183 VanDerWaalsContact O-N 3.14Å; H141-V184 HydrophobicContact CB-CG2 3.89Å; H141-V184 PolarHBondContact O-N 3.23Å
142H98.8Very high98.2Very high6 Ų618.5 Ų18.53%0.0289%0.092CC..THydrogen-bonded Turntrans-88.8-20.9-175.1-64.2-52.2000114.2W140 K144 S149 C152 H180 D182 F207W140-H142 PolarHBondContact O-N 3.37Å; H142-K144 WeakPolarHBondContact O-CD 3.43Å; H142-K144 WeakPolarHBondContact O-CE 3.31Å; H142-K144 PolarHBondContact O-N 3.08Å; H142-S149 VanDerWaalsContact CB-O 3.24Å; H142-S149 WeakPolarHBondContact CB-O 3.24Å; H142-C152 HydrophobicContact CB-CB 4.05Å; H142-C152 PolarHBondContact N-SG 3.29Å; H142-H180 PolarHBondContact CE1-O 3.32Å; H142-H180 PolarHBondContact ND1-O 2.95Å; H142-D182 IonicContact CE1-OD1 2.86Å; H142-D182 IonicContact CG-OD1 3.74Å; H142-D182 IonicContact ND1-OD1 3.05Å; H142-D182 PolarHBondContact ND1-OD1 3.43Å; H142-F207 AromaticContact CD2-CE1 3.69Å; H142-F207 AromaticContact CE1-CE1 3.63Å; H142-F207 AromaticContact CG-CE1 3.87Å; H142-F207 AromaticContact ND1-CE1 3.83Å; H142-F207 AromaticContact NE2-CE1 3.5Å; H142-F207 WeakPolarHBondContact NE2-CE1 3.24Å
143A98.7Very high98.1Very high0 Ų018.4 Ų18.40%09%0.091CC..  trans-59.4129.8-177.300000110.4C152 N155A143-C152 HydrophobicContact CB-CB 3.69Å; A143-C152 WeakPolarHBondContact CB-O 3.46Å; A143-C152 VanDerWaalsContact N-CB 3.31Å; A143-N155 HydrophobicContact CB-CB 3.87Å; A143-N155 WeakPolarHBondContact O-CB 3.41Å; A143-N155 PolarHBondContact O-ND2 3.39Å
144K98.6Very high98.1Very high17 Ų1718.7 Ų18.77%0.0749%0.093CC..  trans-91.1-178.8178.9-48.6-57.5-174.5161.40110.2H70 H142 D146 E147 D182 E186H70-K144 PolarHBondContact CE1-O 3.14Å; H70-K144 PolarHBondContact ND1-O 2.64Å; H142-K144 WeakPolarHBondContact O-CD 3.43Å; H142-K144 WeakPolarHBondContact O-CE 3.31Å; H142-K144 PolarHBondContact O-N 3.08Å; K144-D146 PolarHBondContact O-N 3.23Å; K144-E147 HydrophobicContact CB-CB 3.81Å; K144-E147 HydrophobicContact CG-CB 3.97Å; K144-E147 PolarHBondContact N-O 2.97Å; K144-D182 VanDerWaalsContact CE-OD2 3.3Å; K144-D182 WeakPolarHBondContact CE-OD2 3.42Å; K144-D182 PolarHBondContact NZ-O 2.99Å; K144-D182 IonicContact NZ-OD1 3.1Å; K144-D182 IonicContact NZ-OD2 2.97Å; K144-D182 PolarHBondContact NZ-OD2 3.44Å; K144-E186 WeakPolarHBondContact CD-OE2 3.41Å; K144-E186 WeakPolarHBondContact CE-OE2 3.38Å; K144-E186 IonicContact NZ-OE2 3.64Å; K144-E186 PolarHBondContact NZ-OE2 2.93Å
145K98.1Very high98.1Very high108 Ų10818.7 Ų18.747%0.479%0.093SC..SBendtrans-59-40.3178.3-161.1-163.1174.8-176.40111.7F69 H70 T71F69-K145 HydrophobicContact CD2-CG 4.49Å; F69-K145 HydrophobicContact CE2-CB 4.19Å; F69-K145 HydrophobicContact CE2-CG 4.32Å; F69-K145 HydrophobicContact CZ-CB 4.23Å; F69-K145 WeakPolarHBondContact O-CE 3.41Å; F69-K145 WeakPolarHBondContact O-CG 3.37Å; H70-K145 CarbonylContact C-O 3.53Å; H70-K145 WeakPolarHBondContact CA-O 3.44Å; H70-K145 PolarHBondContact ND1-O 3.12Å; T71-K145 HydrophobicContact CG2-CD 3.82Å; T71-K145 HydrophobicContact CG2-CG 4.05Å; T71-K145 PolarHBondContact N-O 3.48Å
146D97.9Very high98.1Very high79 Ų7918.7 Ų18.742%0.4229%0.093SC..SBendtrans-13625.3-173.854.2-14.9000112.2T71 Y95 K144T71-D146 HydrophobicContact CG2-CB 3.95Å; T71-D146 WeakPolarHBondContact OG1-CB 3.23Å; Y95-D146 WeakPolarHBondContact CD1-O 3.37Å; K144-D146 PolarHBondContact O-N 3.23Å
147E97.8Very high98.1Very high83 Ų8318.3 Ų18.339%0.3889%0.092SC..  trans-148.3132.1-177.4-161.1-171.3157.900110.9Y95 K144Y95-E147 WeakPolarHBondContact O-CA 3.47Å; K144-E147 HydrophobicContact CB-CB 3.81Å; K144-E147 HydrophobicContact CG-CB 3.97Å; K144-E147 PolarHBondContact N-O 2.97Å
148A97.8Very high98.1Very high1 Ų117.9 Ų17.91%0.0089%0.088CC..  trans-76.4142.6163.900000109.6Y74 Y95 G96 L97 C101 C152 Y153Y74-A148 WeakPolarHBondContact OH-CB 3.37Å; Y95-A148 PolarHBondContact O-N 2.58Å; G96-A148 WeakPolarHBondContact CA-O 3.47Å; L97-A148 HydrophobicContact CD2-CB 3.77Å; L97-A148 HydrophobicContact CG-CB 4.26Å; C101-A148 HydrophobicContact CB-CB 3.9Å; A148-C152 CarbonylContact C-O 3.55Å; A148-C152 VanDerWaalsContact CA-O 3.24Å; A148-C152 WeakPolarHBondContact CA-O 3.32Å; A148-Y153 HydrophobicContact CB-CD1 4.11Å
149S97.9Very high98.1Very high14 Ų1417.9 Ų17.910%0.0989%0.088CC..BIsolated β-bridgetrans-156.3140.7-180-166.90000110.9C101 H142 F151 C152C101-S149 VanDerWaalsContact SG-C 3.58Å; H142-S149 VanDerWaalsContact CB-O 3.24Å; H142-S149 WeakPolarHBondContact CB-O 3.24Å; S149-F151 PolarHBondContact O-N 2.99Å; S149-C152 PolarHBondContact N-O 3.49Å; S149-C152 WeakPolarHBondContact O-CA 3.29Å; S149-C152 WeakPolarHBondContact O-CB 3.4Å; S149-C152 PolarHBondContact O-N 3.35Å
150G95.1Very high98.1Very high7 Ų717.8 Ų17.87%0.0729%0.087CC..THydrogen-bonded Turntrans53.947.717100000113.7D100 C152D100-G150 WeakPolarHBondContact OD2-CA 3.37Å; D100-G150 PolarHBondContact OD2-N 3.02Å; G150-C152 PolarHBondContact O-N 3.28Å; G150-C152 PolarHBondContact O-SG 2.98Å
151F95.3Very high98.2Very high32 Ų3217.3 Ų17.314%0.149%0.085CC..THydrogen-bonded Turntrans71.40.8-176.4-36.8-49.8000115.4K32 D100 C101 W140 S149 Y153 Y305K32-F151 HydrophobicContact CB-CD1 4.34Å; K32-F151 HydrophobicContact CB-CG 4.45Å; K32-F151 HydrophobicContact CD-CD1 4.05Å; K32-F151 HydrophobicContact CD-CE1 3.69Å; K32-F151 HydrophobicContact CD-CZ 4.22Å; K32-F151 HydrophobicContact CG-CD1 3.59Å; K32-F151 HydrophobicContact CG-CE1 3.78Å; K32-F151 HydrophobicContact CG-CG 4.15Å; K32-F151 HydrophobicContact CG-CZ 4.44Å; D100-F151 HydrophobicContact CB-CD1 4.31Å; D100-F151 HydrophobicContact CB-CE1 3.92Å; D100-F151 WeakPolarHBondContact O-CD1 3.36Å; D100-F151 WeakPolarHBondContact O-CE1 3.41Å; C101-F151 PolarHBondContact SG-N 3.42Å; W140-F151 HydrophobicContact CE3-CB 4.37Å; W140-F151 HydrophobicContact CZ3-CB 3.93Å; S149-F151 PolarHBondContact O-N 2.99Å; F151-Y153 WeakPolarHBondContact O-CD2 3.47Å; F151-Y305 AromaticContact CD2-CE1 3.99Å; F151-Y305 HydrophobicContact CD2-CE1 3.99Å; F151-Y305 AromaticContact CE2-CE1 3.72Å; F151-Y305 HydrophobicContact CE2-CE1 3.72Å; F151-Y305 AromaticContact CE2-CZ 3.91Å; F151-Y305 WeakPolarHBondContact CE2-OH 3.41Å
152C97.9Very high98.2Very high2 Ų219.6 Ų19.61%0.01410%0.097CC..BIsolated β-bridgetrans-100.5116.5-175.9-51.90000110.2W140 H142 A143 A148 S149 G150W140-C152 WeakPolarHBondContact CA-SG 3.19Å; W140-C152 HydrophobicContact CB-CB 3.76Å; W140-C152 VanDerWaalsContact CB-SG 3.59Å; H142-C152 HydrophobicContact CB-CB 4.05Å; H142-C152 PolarHBondContact N-SG 3.29Å; A143-C152 HydrophobicContact CB-CB 3.69Å; A143-C152 WeakPolarHBondContact CB-O 3.46Å; A143-C152 VanDerWaalsContact N-CB 3.31Å; A148-C152 CarbonylContact C-O 3.55Å; A148-C152 VanDerWaalsContact CA-O 3.24Å; A148-C152 WeakPolarHBondContact CA-O 3.32Å; S149-C152 PolarHBondContact N-O 3.49Å; S149-C152 WeakPolarHBondContact O-CA 3.29Å; S149-C152 WeakPolarHBondContact O-CB 3.4Å; S149-C152 PolarHBondContact O-N 3.35Å; G150-C152 PolarHBondContact O-N 3.28Å; G150-C152 PolarHBondContact O-SG 2.98Å
153Y97.8Very high98.2Very high2 Ų220.8 Ų20.81%0.00810%0.103CC..SBendtrans-99.1-35.2178.1-59.2-96.3000112.3L30 Y74 L78 L97 C101 P102 I107 A148 F151L30-Y153 HydrophobicContact CD1-CE2 4.24Å; Y74-Y153 VanDerWaalsContact CE1-O 3.29Å; Y74-Y153 WeakPolarHBondContact CE1-O 3.19Å; Y74-Y153 PolarHBondContact OH-O 3.09Å; L78-Y153 HydrophobicContact CD1-CD1 3.99Å; L97-Y153 HydrophobicContact CD2-CD1 3.61Å; L97-Y153 HydrophobicContact CD2-CE1 3.5Å; C101-Y153 VanDerWaalsContact C-OH 3.24Å; C101-Y153 WeakPolarHBondContact CA-OH 3.3Å; C101-Y153 HydrophobicContact CB-CD1 4.48Å; C101-Y153 HydrophobicContact CB-CE1 3.8Å; P102-Y153 VanDerWaalsContact CD-OH 3.29Å; P102-Y153 WeakPolarHBondContact CD-OH 3.26Å; P102-Y153 PolarHBondContact O-OH 3.01Å; I107-Y153 HydrophobicContact CD1-CD1 4.18Å; I107-Y153 HydrophobicContact CD1-CD2 3.73Å; I107-Y153 HydrophobicContact CD1-CE1 3.83Å; I107-Y153 HydrophobicContact CD1-CE2 3.37Å; I107-Y153 HydrophobicContact CD1-CG 4.12Å; I107-Y153 HydrophobicContact CG1-CD1 3.58Å; I107-Y153 HydrophobicContact CG1-CD2 3.97Å; I107-Y153 HydrophobicContact CG1-CE1 3.48Å; I107-Y153 VanDerWaalsContact CG1-CE1 3.48Å; I107-Y153 HydrophobicContact CG1-CE2 3.92Å; I107-Y153 HydrophobicContact CG1-CG 3.81Å; A148-Y153 HydrophobicContact CB-CD1 4.11Å; F151-Y153 WeakPolarHBondContact O-CD2 3.47Å
154V98.5Very high98.2Very high6 Ų620.8 Ų20.84%0.03610%0.103CC..SBendtrans-130.8136.5173.31620000108.2M66 H70 L75 L78 A111 D156 L159M66-V154 HydrophobicContact CG-CG1 4.44Å; M66-V154 HydrophobicContact SD-CG1 4.29Å; M66-V154 HydrophobicContact SD-CG2 3.85Å; H70-V154 WeakPolarHBondContact NE2-CA 3.49Å; L75-V154 HydrophobicContact CD2-CG2 4.3Å; L78-V154 HydrophobicContact CD2-CG2 4.4Å; A111-V154 HydrophobicContact CB-CB 4.01Å; A111-V154 HydrophobicContact CB-CG2 3.68Å; V154-D156 PolarHBondContact O-N 2.94Å; V154-D156 VanDerWaalsContact O-N 3.12Å; V154-L159 HydrophobicContact CG1-CD1 3.74Å
155N98.9Very high98.2Very high0 Ų023.5 Ų23.50%011%0.112CC..  trans-86.482.5-179.1-158.7-46.1000110F69 H70 H141 A143 A157 V158 L159F69-N155 HydrophobicContact CD1-CB 4.03Å; F69-N155 HydrophobicContact CE1-CB 3.69Å; H70-N155 PolarHBondContact NE2-N 3.11Å; H141-N155 PolarHBondContact O-ND2 3.17Å; H141-N155 VanDerWaalsContact O-ND2 3.13Å; A143-N155 HydrophobicContact CB-CB 3.87Å; A143-N155 WeakPolarHBondContact O-CB 3.41Å; A143-N155 PolarHBondContact O-ND2 3.39Å; N155-A157 PolarHBondContact O-N 3.21Å; N155-A157 PolarHBondContact OD1-N 2.86Å; N155-V158 HydrophobicContact CB-CB 4.1Å; N155-V158 HydrophobicContact CB-CG2 4.06Å; N155-V158 VanDerWaalsContact CG-CG2 3.44Å; N155-V158 PolarHBondContact O-N 3.36Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.24Å; N155-V158 PolarHBondContact OD1-N 2.85Å; N155-L159 WeakPolarHBondContact O-CG 3.37Å; N155-L159 PolarHBondContact O-N 3.12Å; N155-L159 VanDerWaalsContact O-N 3.13Å
156D98.9Very high98.2Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-63.7-28.6-178.873.7-72.9000112.3V114 T118 G138 G139 W140 V154 L159 G160V114-D156 HydrophobicContact CG1-CB 4.01Å; T118-D156 WeakPolarHBondContact CB-OD2 3.4Å; T118-D156 HydrophobicContact CG2-CB 4.42Å; T118-D156 WeakPolarHBondContact CG2-O 3.39Å; T118-D156 PolarHBondContact OG1-OD2 3.24Å; G138-D156 VanDerWaalsContact CA-OD2 3.24Å; G138-D156 WeakPolarHBondContact CA-OD2 3.3Å; G139-D156 PolarHBondContact N-OD1 3.48Å; G139-D156 PolarHBondContact N-OD2 3.1Å; W140-D156 PolarHBondContact N-OD1 3.33Å; V154-D156 PolarHBondContact O-N 2.94Å; V154-D156 VanDerWaalsContact O-N 3.12Å; D156-L159 PolarHBondContact O-N 3.01Å; D156-G160 PolarHBondContact O-N 3.16Å
157A98.9Very high98.2Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-63.5-45173.400000111.9N155 G160 I161 Y173 V184 L260 L300N155-A157 PolarHBondContact O-N 3.21Å; N155-A157 PolarHBondContact OD1-N 2.86Å; A157-G160 PolarHBondContact O-N 2.99Å; A157-I161 WeakPolarHBondContact O-CG1 3.31Å; A157-I161 PolarHBondContact O-N 3Å; A157-Y173 HydrophobicContact CB-CE2 4.17Å; A157-V184 HydrophobicContact CB-CG2 3.81Å; A157-L260 HydrophobicContact CB-CD2 4.33Å; A157-L300 HydrophobicContact CB-CD1 3.85Å
158V98.9Very high98.3Very high1 Ų123.4 Ų23.41%0.00611%0.109CC..Hα-helixtrans-62.3-45.3174.4173.20000110.9F69 N155 G160 I161 L162 V184 A187 F188F69-V158 HydrophobicContact CB-CG1 3.84Å; F69-V158 HydrophobicContact CD1-CB 4.12Å; F69-V158 HydrophobicContact CD1-CG1 3.88Å; F69-V158 HydrophobicContact CD2-CG1 3.6Å; F69-V158 HydrophobicContact CE1-CB 4.37Å; F69-V158 HydrophobicContact CE1-CG1 4.34Å; F69-V158 HydrophobicContact CE1-CG2 4.34Å; F69-V158 HydrophobicContact CE2-CG1 4.08Å; F69-V158 HydrophobicContact CG-CB 4.24Å; F69-V158 HydrophobicContact CG-CG1 3.49Å; F69-V158 VanDerWaalsContact CG-CG1 3.49Å; F69-V158 HydrophobicContact CZ-CG1 4.42Å; F69-V158 HydrophobicContact CZ-CG2 4.36Å; N155-V158 HydrophobicContact CB-CB 4.1Å; N155-V158 HydrophobicContact CB-CG2 4.06Å; N155-V158 VanDerWaalsContact CG-CG2 3.44Å; N155-V158 PolarHBondContact O-N 3.36Å; N155-V158 WeakPolarHBondContact OD1-CG2 3.24Å; N155-V158 PolarHBondContact OD1-N 2.85Å; V158-G160 VanDerWaalsContact C-N 3.32Å; V158-G160 PolarHBondContact O-N 3.35Å; V158-I161 PolarHBondContact O-N 3.38Å; V158-L162 HydrophobicContact CG1-CD1 4.07Å; V158-L162 HydrophobicContact CG1-CG 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.35Å; V158-L162 PolarHBondContact O-N 2.8Å; V158-V184 HydrophobicContact CG2-CB 4.39Å; V158-V184 HydrophobicContact CG2-CG1 4.37Å; V158-V184 HydrophobicContact CG2-CG2 4.2Å; V158-A187 HydrophobicContact CG1-CB 4.09Å; V158-A187 HydrophobicContact CG2-CB 3.63Å; V158-F188 HydrophobicContact CB-CE2 4.35Å; V158-F188 HydrophobicContact CG1-CE2 4.08Å; V158-F188 HydrophobicContact CG1-CZ 3.91Å; V158-F188 HydrophobicContact CG2-CE2 4.03Å
159L98.9Very high98.3Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-59.7-42.9176.7-63.2-179.6000111.8E65 M66 M68 F69 L119 V154 N155 D156 L162 K163E65-L159 WeakPolarHBondContact O-CD2 3.39Å; M66-L159 HydrophobicContact CG-CD1 4.26Å; M68-L159 HydrophobicContact CB-CD2 4.46Å; F69-L159 HydrophobicContact CB-CD2 3.96Å; L119-L159 HydrophobicContact CD2-CB 4.15Å; L119-L159 HydrophobicContact CG-CB 4.4Å; V154-L159 HydrophobicContact CG1-CD1 3.74Å; N155-L159 WeakPolarHBondContact O-CG 3.37Å; N155-L159 PolarHBondContact O-N 3.12Å; N155-L159 VanDerWaalsContact O-N 3.13Å; D156-L159 PolarHBondContact O-N 3.01Å; L159-L162 PolarHBondContact O-N 3.13Å; L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.08Å
160G98.9Very high98.4Very high0 Ų029.6 Ų29.60%013%0.134CC..Hα-helixtrans-60.5-43.6174.500000112.9D156 A157 V158 K163 L164D156-G160 PolarHBondContact O-N 3.16Å; A157-G160 PolarHBondContact O-N 2.99Å; V158-G160 VanDerWaalsContact C-N 3.32Å; V158-G160 PolarHBondContact O-N 3.35Å; G160-K163 PolarHBondContact O-N 2.87Å; G160-L164 WeakPolarHBondContact O-CG 3.48Å; G160-L164 PolarHBondContact O-N 3.47Å
161I98.9Very high98.5Very high0 Ų029.2 Ų29.20%013%0.13CC..Hα-helixtrans-65-46176.4-69.5160.1000111A157 V158 K163 L164 R165 V171 Y173 V184 F188 V194 L260A157-I161 WeakPolarHBondContact O-CG1 3.31Å; A157-I161 PolarHBondContact O-N 3Å; V158-I161 PolarHBondContact O-N 3.38Å; I161-K163 PolarHBondContact O-N 3.48Å; I161-L164 PolarHBondContact O-N 3.48Å; I161-R165 HydrophobicContact CG2-CG 4.23Å; I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 VanDerWaalsContact O-CG 3.24Å; I161-R165 WeakPolarHBondContact O-CG 3.36Å; I161-R165 PolarHBondContact O-N 3.14Å; I161-V171 HydrophobicContact CG1-CG1 4.18Å; I161-V171 HydrophobicContact CG2-CB 4.27Å; I161-V171 HydrophobicContact CG2-CG1 4.07Å; I161-Y173 HydrophobicContact CD1-CD2 3.92Å; I161-Y173 HydrophobicContact CD1-CG 4.09Å; I161-V184 HydrophobicContact CD1-CG1 3.67Å; I161-F188 HydrophobicContact CB-CE2 3.89Å; I161-F188 HydrophobicContact CB-CZ 3.79Å; I161-F188 HydrophobicContact CD1-CD2 4.27Å; I161-F188 HydrophobicContact CD1-CE2 3.65Å; I161-F188 HydrophobicContact CD1-CZ 4.44Å; I161-F188 HydrophobicContact CG1-CE2 4.38Å; I161-F188 HydrophobicContact CG2-CD2 4.46Å; I161-F188 HydrophobicContact CG2-CE1 4.01Å; I161-F188 HydrophobicContact CG2-CE2 3.65Å; I161-F188 HydrophobicContact CG2-CZ 3.37Å; I161-V194 HydrophobicContact CD1-CG1 4.49Å; I161-V194 HydrophobicContact CG2-CB 4.44Å; I161-V194 HydrophobicContact CG2-CG1 3.97Å; I161-V194 HydrophobicContact CG2-CG2 3.56Å; I161-L260 HydrophobicContact CG1-CB 4.24Å; I161-L260 HydrophobicContact CG1-CD1 3.99Å
162L98.9Very high98.7Very high54 Ų5427.7 Ų27.728%0.28312%0.124SC..Hα-helixtrans-57.8-41.1176.6-71.5175.3000111M68 F69 V158 L159 R165 F188M68-L162 HydrophobicContact CB-CD1 4.15Å; F69-L162 HydrophobicContact CB-CD1 4.06Å; V158-L162 HydrophobicContact CG1-CD1 4.07Å; V158-L162 HydrophobicContact CG1-CG 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.35Å; V158-L162 PolarHBondContact O-N 2.8Å; L159-L162 PolarHBondContact O-N 3.13Å; L162-R165 WeakPolarHBondContact O-CB 3.46Å; L162-R165 PolarHBondContact O-N 3.49Å; L162-F188 HydrophobicContact CD2-CE1 4.08Å; L162-F188 HydrophobicContact CD2-CZ 4.28Å; L162-F188 HydrophobicContact CG-CZ 4.32Å
163K98.9Very high98.8Very high31 Ų3127.7 Ų27.714%0.13512%0.123CC..Hα-helixtrans-62.9-51174.9-169.750.6166.3175.70111.6L119 A122 E123 L126 L159 G160 I161 R165 E166L119-K163 HydrophobicContact CD2-CB 3.83Å; L119-K163 HydrophobicContact CD2-CG 4.14Å; A122-K163 HydrophobicContact CB-CB 3.77Å; A122-K163 HydrophobicContact CB-CG 3.58Å; E123-K163 HydrophobicContact CG-CD 4.47Å; E123-K163 HydrophobicContact CG-CG 4.44Å; E123-K163 WeakPolarHBondContact OE1-CE 3.26Å; E123-K163 IonicContact OE1-NZ 3.11Å; L126-K163 HydrophobicContact CD1-CD 3.98Å; L126-K163 HydrophobicContact CD1-CG 3.96Å; L126-K163 WeakPolarHBondContact CD1-O 3.32Å; L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.08Å; G160-K163 PolarHBondContact O-N 2.87Å; I161-K163 PolarHBondContact O-N 3.48Å; K163-R165 PolarHBondContact O-N 3.1Å; K163-E166 HydrophobicContact CD-CG 4.46Å; K163-E166 VanDerWaalsContact CD-OE1 3.26Å; K163-E166 WeakPolarHBondContact CD-OE1 3.22Å; K163-E166 IonicContact NZ-OE1 3.91Å; K163-E166 PolarHBondContact NZ-OE1 3.37Å; K163-E166 IonicContact NZ-OE2 3.76Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; K163-E166 VanDerWaalsContact O-CB 3.26Å; K163-E166 WeakPolarHBondContact O-CB 3.45Å; K163-E166 WeakPolarHBondContact O-CG 3.18Å; K163-E166 PolarHBondContact O-N 2.98Å
164L98.9Very high98.8Very high0 Ų027.6 Ų27.60%012%0.123CC..Hα-helixtrans-57.4-35.6176.8-70.8172.4000112.5A122 L125 L126 G160 I161 E166 K167 H168 V171 A258A122-L164 HydrophobicContact CB-CD2 4.3Å; A122-L164 HydrophobicContact CB-CG 4.23Å; L125-L164 HydrophobicContact CB-CD2 4.23Å; L125-L164 HydrophobicContact CD1-CD2 4.13Å; L126-L164 HydrophobicContact CD2-CD2 4.35Å; G160-L164 WeakPolarHBondContact O-CG 3.48Å; G160-L164 PolarHBondContact O-N 3.47Å; I161-L164 PolarHBondContact O-N 3.48Å; L164-E166 PolarHBondContact O-N 3.25Å; L164-K167 PolarHBondContact O-N 3.31Å; L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 3.42Å; L164-H168 PolarHBondContact O-N 2.93Å; L164-V171 HydrophobicContact CB-CG1 4.48Å; L164-V171 HydrophobicContact CB-CG2 3.87Å; L164-V171 HydrophobicContact CD1-CG1 4.19Å; L164-A258 HydrophobicContact CD1-CB 4.46Å; L164-A258 HydrophobicContact CD2-CB 4.48Å
165R98.6Very high98.8Very high74 Ų7427.3 Ų27.328%0.27912%0.121SC..THydrogen-bonded Turntrans-65.5-12.1178.1-75.4-72.1-65.3106.62.7114.3I161 L162 K163 K167 H168 E169 V171 V194I161-R165 HydrophobicContact CG2-CG 4.23Å; I161-R165 WeakPolarHBondContact O-CB 3.46Å; I161-R165 VanDerWaalsContact O-CG 3.24Å; I161-R165 WeakPolarHBondContact O-CG 3.36Å; I161-R165 PolarHBondContact O-N 3.14Å; L162-R165 WeakPolarHBondContact O-CB 3.46Å; L162-R165 PolarHBondContact O-N 3.49Å; K163-R165 PolarHBondContact O-N 3.1Å; R165-K167 VanDerWaalsContact C-N 3.25Å; R165-K167 PolarHBondContact O-N 2.89Å; R165-H168 WeakPolarHBondContact CA-O 3.31Å; R165-H168 WeakPolarHBondContact CD-O 3.49Å; R165-H168 PolarHBondContact NH1-O 3.08Å; R165-E169 VanDerWaalsContact CZ-O 3.26Å; R165-E169 VanDerWaalsContact NH1-CA 3.27Å; R165-E169 PolarHBondContact NH1-O 3.21Å; R165-E169 VanDerWaalsContact NH1-O 3.17Å; R165-V171 HydrophobicContact CG-CB 4.45Å; R165-V171 HydrophobicContact CG-CG2 3.84Å; R165-V194 HydrophobicContact CG-CG2 4.18Å
166E98.6Very high98.8Very high112 Ų11227.3 Ų27.352%0.52312%0.121SC..THydrogen-bonded Turntrans-62.3-30.7171.6-68.5179.4-175.200112.6L126 K163 L164L126-E166 HydrophobicContact CD1-CB 4.49Å; K163-E166 HydrophobicContact CD-CG 4.46Å; K163-E166 VanDerWaalsContact CD-OE1 3.26Å; K163-E166 WeakPolarHBondContact CD-OE1 3.22Å; K163-E166 IonicContact NZ-OE1 3.91Å; K163-E166 PolarHBondContact NZ-OE1 3.37Å; K163-E166 IonicContact NZ-OE2 3.76Å; K163-E166 PolarHBondContact NZ-OE2 2.9Å; K163-E166 VanDerWaalsContact O-CB 3.26Å; K163-E166 WeakPolarHBondContact O-CB 3.45Å; K163-E166 WeakPolarHBondContact O-CG 3.18Å; K163-E166 PolarHBondContact O-N 2.98Å; L164-E166 PolarHBondContact O-N 3.25Å
167K98.6Very high98.8Very high126 Ų12627.3 Ų27.355%0.54812%0.121SC..THydrogen-bonded Turntrans-124.3-17.7178.8-58-171.4-172.6173.60115.2L126 L164 R165L126-K167 HydrophobicContact CB-CD 4.24Å; L126-K167 HydrophobicContact CD2-CB 3.81Å; L126-K167 HydrophobicContact CD2-CD 4.03Å; L126-K167 HydrophobicContact CD2-CG 3.91Å; L126-K167 PolarHBondContact O-NZ 3.29Å; L164-K167 PolarHBondContact O-N 3.31Å; R165-K167 VanDerWaalsContact C-N 3.25Å; R165-K167 PolarHBondContact O-N 2.89Å
168H98.6Very high98.8Very high30 Ų3027.3 Ų27.314%0.13912%0.121CC..  trans-109.3122.8-177.9-62.6-67.1000110.6L164 R165 R170 V171 E257 A258L164-H168 WeakPolarHBondContact O-CB 3.45Å; L164-H168 PolarHBondContact O-CD2 3.42Å; L164-H168 PolarHBondContact O-N 2.93Å; R165-H168 WeakPolarHBondContact CA-O 3.31Å; R165-H168 WeakPolarHBondContact CD-O 3.49Å; R165-H168 PolarHBondContact NH1-O 3.08Å; H168-R170 VanDerWaalsContact C-N 3.33Å; H168-R170 PolarHBondContact O-N 2.92Å; H168-V171 HydrophobicContact CB-CG2 4.05Å; H168-E257 WeakPolarHBondContact CA-OE2 3.4Å; H168-E257 HydrophobicContact CB-CB 4.01Å; H168-A258 HydrophobicContact CB-CB 4.18Å
169E98.4Very high98.8Very high92 Ų9227.7 Ų27.743%0.4312%0.123SC..SBendtrans-67.4-35.7-177.9-170.5177-176.800112.4R165 K193 E257R165-E169 VanDerWaalsContact CZ-O 3.26Å; R165-E169 VanDerWaalsContact NH1-CA 3.27Å; R165-E169 PolarHBondContact NH1-O 3.21Å; R165-E169 VanDerWaalsContact NH1-O 3.17Å; E169-K193 HydrophobicContact CG-CD 4.13Å; E169-K193 IonicContact OE1-NZ 3.1Å; E169-K193 PolarHBondContact OE1-NZ 2.94Å; E169-E257 PolarHBondContact N-OE2 3.17Å
170R98.8Very high98.8Very high52 Ų5227.8 Ų27.820%0.19612%0.123CC..  trans-127.3112.7-177.5-68.8-179.8-54-59-16.1110.2H168 K193 F254 N255 E257H168-R170 VanDerWaalsContact C-N 3.33Å; H168-R170 PolarHBondContact O-N 2.92Å; R170-K193 WeakPolarHBondContact CA-O 3.28Å; R170-F254 HydrophobicContact CB-CE1 3.95Å; R170-F254 HydrophobicContact CB-CE2 4.18Å; R170-F254 HydrophobicContact CB-CZ 3.69Å; R170-F254 WeakPolarHBondContact CD-O 3.38Å; R170-F254 HydrophobicContact CG-CE2 4.12Å; R170-F254 HydrophobicContact CG-CZ 4.1Å; R170-F254 PolarHBondContact NE-O 3Å; R170-N255 PolarHBondContact NE-O 2.85Å; R170-N255 PolarHBondContact NH2-O 3.32Å; R170-E257 IonicContact CZ-OE1 3.79Å; R170-E257 VanDerWaalsContact CZ-OE1 3.28Å; R170-E257 IonicContact NH1-OE1 3.75Å; R170-E257 PolarHBondContact NH1-OE1 2.9Å; R170-E257 VanDerWaalsContact NH1-OE1 3.08Å; R170-E257 IonicContact NH2-OE1 3.37Å; R170-E257 PolarHBondContact NH2-OE1 2.93Å; R170-E257 PolarHBondContact O-N 2.68Å
171V98.9Very high98.8Very high0 Ų027.9 Ų27.90%012%0.124CC..EExtended strand (participates in β ladder)trans-108128175.4178.70000108.7I161 L164 R165 H168 K193 V194 M195 F254 A258I161-V171 HydrophobicContact CG1-CG1 4.18Å; I161-V171 HydrophobicContact CG2-CB 4.27Å; I161-V171 HydrophobicContact CG2-CG1 4.07Å; L164-V171 HydrophobicContact CB-CG1 4.48Å; L164-V171 HydrophobicContact CB-CG2 3.87Å; L164-V171 HydrophobicContact CD1-CG1 4.19Å; R165-V171 HydrophobicContact CG-CB 4.45Å; R165-V171 HydrophobicContact CG-CG2 3.84Å; H168-V171 HydrophobicContact CB-CG2 4.05Å; V171-K193 PolarHBondContact N-O 2.87Å; V171-K193 VanDerWaalsContact N-O 3.14Å; V171-V194 VanDerWaalsContact O-CA 3.28Å; V171-V194 WeakPolarHBondContact O-CA 3.33Å; V171-M195 PolarHBondContact O-N 3.45Å; V171-F254 WeakPolarHBondContact O-CE1 3.48Å; V171-A258 HydrophobicContact CG2-CB 4.49Å
172L98.9Very high98.8Very high0 Ų028.5 Ų28.50%013%0.128CC..EExtended strand (participates in β ladder)trans-95.8128.3174.1173.368.7000109.2V174 M195 V197 M247 V250 F254 P256 A258 V259 L260 W293L172-V174 HydrophobicContact CD1-CG2 4.41Å; L172-V174 HydrophobicContact CD2-CG2 3.74Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; L172-M195 HydrophobicContact CD1-CB 4.02Å; L172-M195 HydrophobicContact CD1-CG 4.01Å; L172-M195 HydrophobicContact CD1-SD 4.3Å; L172-V197 HydrophobicContact CD1-CG2 3.77Å; L172-M247 HydrophobicContact CD2-CE 3.87Å; L172-V250 HydrophobicContact CD1-CG1 3.65Å; L172-V250 HydrophobicContact CD2-CG1 3.91Å; L172-V250 HydrophobicContact CG-CG1 4.45Å; L172-F254 HydrophobicContact CB-CD1 4.21Å; L172-F254 HydrophobicContact CB-CE1 4.09Å; L172-F254 HydrophobicContact CD1-CD1 4.43Å; L172-P256 HydrophobicContact CB-CB 3.68Å; L172-P256 HydrophobicContact CB-CG 4.02Å; L172-P256 HydrophobicContact CD2-CG 4.11Å; L172-A258 PolarHBondContact N-O 3.48Å; L172-V259 HydrophobicContact CB-CG2 4.41Å; L172-V259 HydrophobicContact CD2-CG2 4.41Å; L172-V259 CarbonylContact O-C 3.51Å; L172-V259 VanDerWaalsContact O-CA 3.31Å; L172-V259 WeakPolarHBondContact O-CA 3.31Å; L172-L260 PolarHBondContact O-N 2.86Å; L172-W293 HydrophobicContact CD2-CH2 4.28Å; L172-W293 HydrophobicContact CD2-CZ3 3.73Å
173Y98.9Very high98.8Very high1 Ų126 Ų260%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-101.3126.5168.2178.2-111.3000109.5A157 I161 D175 V184 M195 T196 V197 L260 Q262A157-Y173 HydrophobicContact CB-CE2 4.17Å; I161-Y173 HydrophobicContact CD1-CD2 3.92Å; I161-Y173 HydrophobicContact CD1-CG 4.09Å; Y173-D175 HydrophobicContact CD1-CB 4.42Å; Y173-D175 HydrophobicContact CE1-CB 3.62Å; Y173-D175 WeakPolarHBondContact CE1-OD2 3.46Å; Y173-D175 PolarHBondContact OH-OD2 3.41Å; Y173-V184 HydrophobicContact CD1-CB 4.05Å; Y173-V184 HydrophobicContact CD1-CG1 3.53Å; Y173-V184 HydrophobicContact CD2-CG1 4.08Å; Y173-V184 HydrophobicContact CE1-CB 3.71Å; Y173-V184 HydrophobicContact CE1-CG1 3.68Å; Y173-V184 HydrophobicContact CE1-CG2 3.99Å; Y173-V184 HydrophobicContact CE2-CG1 4.21Å; Y173-V184 HydrophobicContact CE2-CG2 4.3Å; Y173-V184 HydrophobicContact CG-CG1 3.73Å; Y173-M195 PolarHBondContact N-O 3.42Å; Y173-T196 HydrophobicContact CD1-CG2 3.98Å; Y173-V197 PolarHBondContact O-N 2.88Å; Y173-L260 CarbonylContact C-O 3.53Å; Y173-L260 WeakPolarHBondContact CA-O 3.29Å; Y173-L260 HydrophobicContact CD2-CB 4.29Å; Y173-L260 HydrophobicContact CD2-CD2 3.51Å; Y173-L260 HydrophobicContact CD2-CG 4.44Å; Y173-L260 HydrophobicContact CE2-CD2 3.46Å; Y173-L260 VanDerWaalsContact CE2-CD2 3.46Å; Y173-Q262 HydrophobicContact CE2-CB 4.02Å; Y173-Q262 WeakPolarHBondContact OH-CB 2.8Å
174V98.9Very high98.8Very high0 Ų024.5 Ų24.50%011%0.108CC..EExtended strand (participates in β ladder)trans-121.7124.4178.2-172.50000108.2L172 V176 V197 F243 M247 V259 L260 M261 Q262L172-V174 HydrophobicContact CD1-CG2 4.41Å; L172-V174 HydrophobicContact CD2-CG2 3.74Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; V174-V176 HydrophobicContact CG1-CG1 4.48Å; V174-V197 CarbonylContact C-O 3.6Å; V174-V197 WeakPolarHBondContact CA-O 3.42Å; V174-F243 HydrophobicContact CG1-CE2 3.78Å; V174-F243 HydrophobicContact CG1-CZ 4.14Å; V174-M247 HydrophobicContact CG1-CE 4.25Å; V174-M247 HydrophobicContact CG2-CE 3.65Å; V174-V259 HydrophobicContact CG2-CG1 4.03Å; V174-L260 PolarHBondContact N-O 3.23Å; V174-M261 HydrophobicContact CB-CB 4.41Å; V174-M261 HydrophobicContact CB-CG 4.09Å; V174-M261 HydrophobicContact CG1-CE 4.22Å; V174-M261 HydrophobicContact CG1-CG 4.37Å; V174-M261 CarbonylContact O-C 3.57Å; V174-M261 VanDerWaalsContact O-CA 3.28Å; V174-M261 WeakPolarHBondContact O-CA 3.22Å; V174-Q262 PolarHBondContact O-N 3.44Å
175D98.9Very high98.8Very high0 Ų025.5 Ų25.50%011%0.113CC..EExtended strand (participates in β ladder)trans-121117.9-175.6-159.5-37.8000109.8H141 Y173 D177 G181 V197 L199 Q262H141-D175 IonicContact CE1-OD1 3.8Å; H141-D175 IonicContact CE1-OD2 3.68Å; H141-D175 IonicContact CG-OD2 3.88Å; H141-D175 IonicContact ND1-OD1 2.78Å; H141-D175 IonicContact ND1-OD2 2.71Å; H141-D175 PolarHBondContact ND1-OD2 2.86Å; Y173-D175 HydrophobicContact CD1-CB 4.42Å; Y173-D175 HydrophobicContact CE1-CB 3.62Å; Y173-D175 WeakPolarHBondContact CE1-OD2 3.46Å; Y173-D175 PolarHBondContact OH-OD2 3.41Å; D175-D177 WeakPolarHBondContact OD1-CB 2.96Å; D175-D177 PolarHBondContact OD1-N 3.07Å; D175-G181 VanDerWaalsContact OD2-CA 3.29Å; D175-G181 WeakPolarHBondContact OD2-CA 3.32Å; D175-V197 PolarHBondContact N-O 2.95Å; D175-L199 PolarHBondContact O-N 3.26Å; D175-Q262 PolarHBondContact OD1-OE1 2.92Å
176V98.7Very high98.8Very high0 Ų027 Ų270%012%0.123CC..  trans-116.716.2176.7-56.30000112.3V174 Y239 F243 M261 Q262 L263 T267 V283V174-V176 HydrophobicContact CG1-CG1 4.48Å; V176-Y239 VanDerWaalsContact CB-OH 3.29Å; V176-Y239 WeakPolarHBondContact CB-OH 3.48Å; V176-Y239 HydrophobicContact CG1-CE1 4.45Å; V176-F243 HydrophobicContact CG1-CD2 4.37Å; V176-F243 HydrophobicContact CG1-CE2 4.01Å; V176-M261 HydrophobicContact CG1-CE 3.97Å; V176-M261 HydrophobicContact CG2-CE 4.43Å; V176-Q262 VanDerWaalsContact CG2-O 3.31Å; V176-Q262 WeakPolarHBondContact CG2-O 3.27Å; V176-Q262 PolarHBondContact N-O 2.89Å; V176-L263 HydrophobicContact CG2-CD2 3.78Å; V176-T267 VanDerWaalsContact O-CG2 3.25Å; V176-T267 WeakPolarHBondContact O-CG2 3.36Å; V176-V283 HydrophobicContact CG2-CG1 4.2Å
177D98.9Very high98.8Very high1 Ų123.3 Ų23.31%0.00511%0.112CC..SBendtrans-58.5158166.4-157.7-85000110.7H141 D175 H179 L199 Q262 G264 D266 G303H141-D177 VanDerWaalsContact CE1-CB 3.48Å; H141-D177 WeakPolarHBondContact CE1-CB 3.18Å; H141-D177 IonicContact CE1-OD1 3.32Å; H141-D177 IonicContact NE2-OD1 3.45Å; D175-D177 WeakPolarHBondContact OD1-CB 2.96Å; D175-D177 PolarHBondContact OD1-N 3.07Å; D177-H179 PolarHBondContact O-N 3.19Å; D177-H179 IonicContact OD1-CG 2.86Å; D177-H179 PolarHBondContact OD1-N 3.36Å; D177-H179 IonicContact OD1-ND1 2.83Å; D177-H179 PolarHBondContact OD1-ND1 2.68Å; D177-L199 VanDerWaalsContact O-O 3.06Å; D177-Q262 PolarHBondContact OD2-NE2 2.75Å; D177-G264 WeakPolarHBondContact OD2-CA 3.21Å; D177-D266 VanDerWaalsContact OD1-OD2 3.1Å; D177-G303 PolarHBondContact OD2-N 3.46Å
178L98.9Very high98.8Very high0 Ų018.1 Ų18.10%09%0.089CC..SBendtrans-62.6-33172179.865.6000111.8H200 K201 F206 D266 T267 M273 F276L178-H200 CarbonylContact O-C 3.57Å; L178-H200 WeakPolarHBondContact O-CA 3.43Å; L178-H200 WeakPolarHBondContact O-CB 3.13Å; L178-K201 HydrophobicContact CD1-CB 3.87Å; L178-K201 HydrophobicContact CG-CB 4.45Å; L178-K201 PolarHBondContact O-N 2.99Å; L178-F206 HydrophobicContact CD2-CE2 4.4Å; L178-F206 HydrophobicContact CD2-CZ 3.8Å; L178-F206 HydrophobicContact CG-CE1 4.36Å; L178-F206 HydrophobicContact CG-CZ 3.78Å; L178-D266 HydrophobicContact CB-CB 4.23Å; L178-D266 VanDerWaalsContact CB-CG 3.45Å; L178-D266 WeakPolarHBondContact CB-OD1 3.21Å; L178-D266 PolarHBondContact N-OD1 2.91Å; L178-T267 HydrophobicContact CB-CG2 3.99Å; L178-M273 HydrophobicContact CD2-CB 3.45Å; L178-M273 VanDerWaalsContact CD2-CB 3.45Å; L178-M273 HydrophobicContact CD2-CG 3.98Å; L178-F276 HydrophobicContact CD1-CB 4.21Å; L178-F276 HydrophobicContact CD1-CD1 3.73Å; L178-F276 HydrophobicContact CD1-CD2 3.71Å; L178-F276 HydrophobicContact CD1-CE1 3.92Å; L178-F276 HydrophobicContact CD1-CE2 3.87Å; L178-F276 HydrophobicContact CD1-CG 3.6Å; L178-F276 HydrophobicContact CD1-CZ 3.96Å
179H98.9Very high98.8Very high9 Ų917.4 Ų17.44%0.0429%0.088CC..SBendtrans-94.1152.6-175.7-53.184.9000111.7H141 D177 G181 H200 F206 F207 D266H141-H179 PolarHBondContact CE1-O 3.46Å; D177-H179 PolarHBondContact O-N 3.19Å; D177-H179 IonicContact OD1-CG 2.86Å; D177-H179 PolarHBondContact OD1-N 3.36Å; D177-H179 IonicContact OD1-ND1 2.83Å; D177-H179 PolarHBondContact OD1-ND1 2.68Å; H179-G181 PolarHBondContact O-N 3.36Å; H179-H200 VanDerWaalsContact C-CB 3.46Å; H179-F206 AromaticContact CD2-CE1 3.63Å; H179-F206 AromaticContact CD2-CZ 3.52Å; H179-F206 AromaticContact NE2-CZ 3.5Å; H179-F207 PolarHBondContact CD2-O 3.12Å; H179-D266 IonicContact CE1-OD2 3.65Å; H179-D266 PolarHBondContact CE1-OD2 3.28Å; H179-D266 IonicContact ND1-OD2 3.02Å; H179-D266 PolarHBondContact ND1-OD2 3.34Å
180H98.9Very high98.8Very high2 Ų219.6 Ų19.61%0.00910%0.096CC..  trans-64.9129174.3174.1-139.6000110.2H142 D182 E185 H200 P208 T210 G211 N227H142-H180 PolarHBondContact CE1-O 3.32Å; H142-H180 PolarHBondContact ND1-O 2.95Å; H180-D182 WeakPolarHBondContact ND1-CB 3.45Å; H180-D182 PolarHBondContact O-N 3.3Å; H180-E185 IonicContact CE1-OE1 3.57Å; H180-E185 IonicContact NE2-OE1 3.79Å; H180-E185 IonicContact NE2-OE2 2.75Å; H180-E185 PolarHBondContact NE2-OE2 2.82Å; H180-H200 HydrophobicContact CB-CB 4.3Å; H180-H200 AromaticContact CD2-CE1 3.57Å; H180-H200 AromaticContact CD2-ND1 3.71Å; H180-H200 AromaticContact CG-CE1 3.81Å; H180-H200 AromaticContact CG-ND1 3.98Å; H180-P208 HydrophobicContact CB-CG 3.95Å; H180-T210 PolarHBondContact ND1-O 2.89Å; H180-T210 PolarHBondContact ND1-OG1 3.04Å; H180-G211 PolarHBondContact ND1-N 3.09Å; H180-N227 PolarHBondContact CD2-OD1 2.94Å; H180-N227 PolarHBondContact NE2-OD1 3.49Å
181G98.8Very high98.8Very high2 Ų219.1 Ų19.12%0.02110%0.099CC..  trans-71.553.7174.700000114.1H141 D175 H179 G183 V184 E185 S198H141-G181 WeakPolarHBondContact ND1-CA 3.33Å; D175-G181 VanDerWaalsContact OD2-CA 3.29Å; D175-G181 WeakPolarHBondContact OD2-CA 3.32Å; H179-G181 PolarHBondContact O-N 3.36Å; G181-G183 PolarHBondContact O-N 3.43Å; G181-V184 PolarHBondContact O-N 3.08Å; G181-E185 PolarHBondContact O-N 3.15Å; G181-S198 PolarHBondContact N-OG 2.98Å
182D98.8Very high98.8Very high13 Ų1320.7 Ų20.77%0.0711%0.11CC..Hα-helixtrans-65.9-36.4-167.171.3-37.3000114.1H142 K144 H180 E186 P208 T210H142-D182 IonicContact CE1-OD1 2.86Å; H142-D182 IonicContact CG-OD1 3.74Å; H142-D182 IonicContact ND1-OD1 3.05Å; H142-D182 PolarHBondContact ND1-OD1 3.43Å; K144-D182 VanDerWaalsContact CE-OD2 3.3Å; K144-D182 WeakPolarHBondContact CE-OD2 3.42Å; K144-D182 PolarHBondContact NZ-O 2.99Å; K144-D182 IonicContact NZ-OD1 3.1Å; K144-D182 IonicContact NZ-OD2 2.97Å; K144-D182 PolarHBondContact NZ-OD2 3.44Å; H180-D182 WeakPolarHBondContact ND1-CB 3.45Å; H180-D182 PolarHBondContact O-N 3.3Å; D182-E186 WeakPolarHBondContact O-CB 3.21Å; D182-E186 PolarHBondContact O-N 2.87Å; D182-P208 HydrophobicContact CB-CG 3.89Å; D182-T210 WeakPolarHBondContact CB-OG1 3.3Å
183G98.9Very high98.8Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-64.9-39.9175.600000112.5H141 G181 A187H141-G183 WeakPolarHBondContact O-CA 3.4Å; H141-G183 PolarHBondContact O-N 3Å; H141-G183 VanDerWaalsContact O-N 3.14Å; G181-G183 PolarHBondContact O-N 3.43Å; G183-A187 WeakPolarHBondContact O-CB 3.49Å; G183-A187 PolarHBondContact O-N 3.06Å; G183-A187 VanDerWaalsContact O-N 3.13Å
184V98.9Very high98.8Very high0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-71.2-42.9176.1-173.20000111H141 A157 V158 I161 Y173 G181 A187 F188 T196H141-V184 HydrophobicContact CB-CG2 3.89Å; H141-V184 PolarHBondContact O-N 3.23Å; A157-V184 HydrophobicContact CB-CG2 3.81Å; V158-V184 HydrophobicContact CG2-CB 4.39Å; V158-V184 HydrophobicContact CG2-CG1 4.37Å; V158-V184 HydrophobicContact CG2-CG2 4.2Å; I161-V184 HydrophobicContact CD1-CG1 3.67Å; Y173-V184 HydrophobicContact CD1-CB 4.05Å; Y173-V184 HydrophobicContact CD1-CG1 3.53Å; Y173-V184 HydrophobicContact CD2-CG1 4.08Å; Y173-V184 HydrophobicContact CE1-CB 3.71Å; Y173-V184 HydrophobicContact CE1-CG1 3.68Å; Y173-V184 HydrophobicContact CE1-CG2 3.99Å; Y173-V184 HydrophobicContact CE2-CG1 4.21Å; Y173-V184 HydrophobicContact CE2-CG2 4.3Å; Y173-V184 HydrophobicContact CG-CG1 3.73Å; G181-V184 PolarHBondContact O-N 3.08Å; V184-A187 PolarHBondContact O-N 3.41Å; V184-F188 HydrophobicContact CG1-CD2 4.07Å; V184-F188 HydrophobicContact CG1-CE2 4.22Å; V184-F188 VanDerWaalsContact O-CD2 3.31Å; V184-F188 WeakPolarHBondContact O-CD2 3.34Å; V184-F188 PolarHBondContact O-N 3.44Å; V184-T196 HydrophobicContact CG1-CG2 4.19Å
185E98.9Very high98.8Very high22 Ų2224 Ų2410%0.10313%0.125CC..Hα-helixtrans-58.8-49174.4177.7167118.300111.6H180 G181 A187 F188 S189 A225 N227H180-E185 IonicContact CE1-OE1 3.57Å; H180-E185 IonicContact NE2-OE1 3.79Å; H180-E185 IonicContact NE2-OE2 2.75Å; H180-E185 PolarHBondContact NE2-OE2 2.82Å; G181-E185 PolarHBondContact O-N 3.15Å; E185-A187 PolarHBondContact O-N 3.03Å; E185-F188 CarbonylContact O-C 3.58Å; E185-F188 PolarHBondContact O-N 3.45Å; E185-S189 WeakPolarHBondContact O-CA 3.42Å; E185-S189 WeakPolarHBondContact O-CB 3.41Å; E185-S189 PolarHBondContact O-N 2.85Å; E185-A225 HydrophobicContact CG-CB 3.99Å; E185-A225 WeakPolarHBondContact OE2-CB 3.41Å; E185-N227 PolarHBondContact OE1-ND2 2.88Å; E185-N227 PolarHBondContact OE2-ND2 2.99Å; E185-N227 PolarHBondContact OE2-OD1 3.44Å
186E98.8Very high98.8Very high104 Ų10424.3 Ų24.349%0.48613%0.126SC..Hα-helixtrans-59.3-46.3-179.4-174.1-178.2148.500111.7K144 D182 F188 S189K144-E186 WeakPolarHBondContact CD-OE2 3.41Å; K144-E186 WeakPolarHBondContact CE-OE2 3.38Å; K144-E186 IonicContact NZ-OE2 3.64Å; K144-E186 PolarHBondContact NZ-OE2 2.93Å; D182-E186 WeakPolarHBondContact O-CB 3.21Å; D182-E186 PolarHBondContact O-N 2.87Å; E186-F188 PolarHBondContact O-N 3.22Å; E186-F188 VanDerWaalsContact O-N 3.15Å; E186-S189 PolarHBondContact O-N 3.26Å; E186-S189 PolarHBondContact O-OG 3.3Å
187A98.8Very high98.8Very high36 Ų3624.3 Ų24.330%0.29813%0.126SC..Hα-helixtrans-56.7-31.3179.400000113.3F69 V158 G183 V184 E185F69-A187 HydrophobicContact CD2-CB 4.32Å; F69-A187 HydrophobicContact CE2-CB 3.53Å; F69-A187 HydrophobicContact CZ-CB 3.93Å; V158-A187 HydrophobicContact CG1-CB 4.09Å; V158-A187 HydrophobicContact CG2-CB 3.63Å; G183-A187 WeakPolarHBondContact O-CB 3.49Å; G183-A187 PolarHBondContact O-N 3.06Å; G183-A187 VanDerWaalsContact O-N 3.13Å; V184-A187 PolarHBondContact O-N 3.41Å; E185-A187 PolarHBondContact O-N 3.03Å
188F98.8Very high98.8Very high17 Ų1724.4 Ų24.48%0.07513%0.127CC..Hα-helixtrans-114.73.8-176.6-62-63.3000114.7V158 I161 L162 V184 E185 E186 F190 T191 V194V158-F188 HydrophobicContact CB-CE2 4.35Å; V158-F188 HydrophobicContact CG1-CE2 4.08Å; V158-F188 HydrophobicContact CG1-CZ 3.91Å; V158-F188 HydrophobicContact CG2-CE2 4.03Å; I161-F188 HydrophobicContact CB-CE2 3.89Å; I161-F188 HydrophobicContact CB-CZ 3.79Å; I161-F188 HydrophobicContact CD1-CD2 4.27Å; I161-F188 HydrophobicContact CD1-CE2 3.65Å; I161-F188 HydrophobicContact CD1-CZ 4.44Å; I161-F188 HydrophobicContact CG1-CE2 4.38Å; I161-F188 HydrophobicContact CG2-CD2 4.46Å; I161-F188 HydrophobicContact CG2-CE1 4.01Å; I161-F188 HydrophobicContact CG2-CE2 3.65Å; I161-F188 HydrophobicContact CG2-CZ 3.37Å; L162-F188 HydrophobicContact CD2-CE1 4.08Å; L162-F188 HydrophobicContact CD2-CZ 4.28Å; L162-F188 HydrophobicContact CG-CZ 4.32Å; V184-F188 HydrophobicContact CG1-CD2 4.07Å; V184-F188 HydrophobicContact CG1-CE2 4.22Å; V184-F188 VanDerWaalsContact O-CD2 3.31Å; V184-F188 WeakPolarHBondContact O-CD2 3.34Å; V184-F188 PolarHBondContact O-N 3.44Å; E185-F188 CarbonylContact O-C 3.58Å; E185-F188 PolarHBondContact O-N 3.45Å; E186-F188 PolarHBondContact O-N 3.22Å; E186-F188 VanDerWaalsContact O-N 3.15Å; F188-F190 PolarHBondContact O-N 2.89Å; F188-T191 HydrophobicContact CB-CG2 3.94Å; F188-T191 HydrophobicContact CD1-CG2 3.92Å; F188-T191 HydrophobicContact CG-CG2 4.42Å; F188-T191 VanDerWaalsContact O-CG2 3.24Å; F188-T191 WeakPolarHBondContact O-CG2 3.28Å; F188-T191 PolarHBondContact O-N 3.26Å; F188-V194 HydrophobicContact CB-CB 3.88Å; F188-V194 HydrophobicContact CB-CG1 3.99Å; F188-V194 HydrophobicContact CD1-CB 3.86Å; F188-V194 HydrophobicContact CD1-CG1 4.25Å; F188-V194 HydrophobicContact CD1-CG2 3.66Å; F188-V194 HydrophobicContact CD2-CB 4.26Å; F188-V194 HydrophobicContact CD2-CG1 3.74Å; F188-V194 HydrophobicContact CE1-CB 4.5Å; F188-V194 HydrophobicContact CE1-CG2 3.87Å; F188-V194 HydrophobicContact CE2-CG1 4.29Å; F188-V194 HydrophobicContact CG-CB 3.72Å; F188-V194 HydrophobicContact CG-CG1 3.71Å; F188-V194 HydrophobicContact CG-CG2 4.01Å; F188-V194 HydrophobicContact CZ-CG2 4.39Å
189S98.4Very high98.8Very high15 Ų1524.4 Ų24.411%0.10513%0.127CC..THydrogen-bonded Turntrans-54.9-26-175.759.50000114.5E185 E186 L218 G221E185-S189 WeakPolarHBondContact O-CA 3.42Å; E185-S189 WeakPolarHBondContact O-CB 3.41Å; E185-S189 PolarHBondContact O-N 2.85Å; E186-S189 PolarHBondContact O-N 3.26Å; E186-S189 PolarHBondContact O-OG 3.3Å; S189-L218 PolarHBondContact O-N 3.43Å; S189-G221 WeakPolarHBondContact O-CA 3.38Å
190F98.5Very high98.8Very high137 Ų13724 Ų2460%0.60113%0.125SC*.THydrogen-bonded Turntrans-98.83.5-178.8-72.4-90000115.4F188 L218 G221F188-F190 PolarHBondContact O-N 2.89Å; F190-L218 WeakPolarHBondContact CA-O 3.11Å; F190-L218 HydrophobicContact CD1-CB 3.84Å; F190-L218 HydrophobicContact CD2-CB 4.42Å; F190-L218 HydrophobicContact CE1-CB 3.53Å; F190-L218 HydrophobicContact CE1-CD1 4.15Å; F190-L218 HydrophobicContact CE1-CG 4.49Å; F190-L218 HydrophobicContact CE2-CB 4.13Å; F190-L218 HydrophobicContact CE2-CD1 3.68Å; F190-L218 HydrophobicContact CG-CB 4.29Å; F190-L218 HydrophobicContact CZ-CB 3.69Å; F190-L218 HydrophobicContact CZ-CD1 3.42Å; F190-L218 VanDerWaalsContact CZ-CD1 3.42Å; F190-L218 HydrophobicContact CZ-CG 4.2Å; F190-G221 PolarHBondContact O-N 3.24Å
191T98.6Very high98.8Very high43 Ų4325.1 Ų25.126%0.26413%0.13SC..  trans-121.4144.7-176.7-1750000113.1F188 K193 V194 G221F188-T191 HydrophobicContact CB-CG2 3.94Å; F188-T191 HydrophobicContact CD1-CG2 3.92Å; F188-T191 HydrophobicContact CG-CG2 4.42Å; F188-T191 VanDerWaalsContact O-CG2 3.24Å; F188-T191 WeakPolarHBondContact O-CG2 3.28Å; F188-T191 PolarHBondContact O-N 3.26Å; T191-K193 VanDerWaalsContact C-N 3.33Å; T191-K193 WeakPolarHBondContact OG1-CB 3.35Å; T191-K193 PolarHBondContact OG1-N 3.02Å; T191-K193 VanDerWaalsContact OG1-N 3.13Å; T191-V194 HydrophobicContact CG2-CB 4.38Å; T191-G221 VanDerWaalsContact O-CA 3.28Å; T191-G221 WeakPolarHBondContact O-CA 3.45Å
192S98.1Very high98.7Very high33 Ų3327.7 Ų27.723%0.23114%0.141CC..SBendtrans-90.42.8170.256.20000113.6K220 Y224 F254S192-K220 WeakPolarHBondContact CB-O 3.39Å; S192-Y224 WeakPolarHBondContact O-CE1 3.49Å; S192-F254 WeakPolarHBondContact O-CE2 3.29Å
193K98.6Very high98.7Very high67 Ų6728.8 Ų28.829%0.29115%0.15SC..SBendtrans-90-13.5-177.1-57.3-60.5-177.7-175.40113.1E169 R170 V171 T191E169-K193 HydrophobicContact CG-CD 4.13Å; E169-K193 IonicContact OE1-NZ 3.1Å; E169-K193 PolarHBondContact OE1-NZ 2.94Å; R170-K193 WeakPolarHBondContact CA-O 3.28Å; V171-K193 PolarHBondContact N-O 2.87Å; V171-K193 VanDerWaalsContact N-O 3.14Å; T191-K193 VanDerWaalsContact C-N 3.33Å; T191-K193 WeakPolarHBondContact OG1-CB 3.35Å; T191-K193 PolarHBondContact OG1-N 3.02Å; T191-K193 VanDerWaalsContact OG1-N 3.13Å
194V98.9Very high98.6Very high3 Ų335.2 Ų35.22%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-130.1131173179.40000106.6I161 R165 V171 F188 T191I161-V194 HydrophobicContact CD1-CG1 4.49Å; I161-V194 HydrophobicContact CG2-CB 4.44Å; I161-V194 HydrophobicContact CG2-CG1 3.97Å; I161-V194 HydrophobicContact CG2-CG2 3.56Å; R165-V194 HydrophobicContact CG-CG2 4.18Å; V171-V194 VanDerWaalsContact O-CA 3.28Å; V171-V194 WeakPolarHBondContact O-CA 3.33Å; F188-V194 HydrophobicContact CB-CB 3.88Å; F188-V194 HydrophobicContact CB-CG1 3.99Å; F188-V194 HydrophobicContact CD1-CB 3.86Å; F188-V194 HydrophobicContact CD1-CG1 4.25Å; F188-V194 HydrophobicContact CD1-CG2 3.66Å; F188-V194 HydrophobicContact CD2-CB 4.26Å; F188-V194 HydrophobicContact CD2-CG1 3.74Å; F188-V194 HydrophobicContact CE1-CB 4.5Å; F188-V194 HydrophobicContact CE1-CG2 3.87Å; F188-V194 HydrophobicContact CE2-CG1 4.29Å; F188-V194 HydrophobicContact CG-CB 3.72Å; F188-V194 HydrophobicContact CG-CG1 3.71Å; F188-V194 HydrophobicContact CG-CG2 4.01Å; F188-V194 HydrophobicContact CZ-CG2 4.39Å; T191-V194 HydrophobicContact CG2-CB 4.38Å
195M98.9Very high98.5Very high1 Ų139.4 Ų39.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-108.4130.3171177.2174-72.200108.5V171 L172 Y173 V197 Y224 V226 V250 F254 W375V171-M195 PolarHBondContact O-N 3.45Å; L172-M195 HydrophobicContact CD1-CB 4.02Å; L172-M195 HydrophobicContact CD1-CG 4.01Å; L172-M195 HydrophobicContact CD1-SD 4.3Å; Y173-M195 PolarHBondContact N-O 3.42Å; M195-V197 HydrophobicContact CG-CG2 4.23Å; M195-V197 HydrophobicContact SD-CG2 4.48Å; M195-Y224 CarbonylContact C-O 3.51Å; M195-Y224 WeakPolarHBondContact CA-O 3.37Å; M195-Y224 HydrophobicContact CB-CD1 4.45Å; M195-Y224 HydrophobicContact CE-CD1 3.79Å; M195-Y224 HydrophobicContact CE-CE1 4.31Å; M195-Y224 HydrophobicContact CE-CG 4.44Å; M195-Y224 WeakPolarHBondContact CG-O 3.38Å; M195-V226 HydrophobicContact SD-CG2 4.42Å; M195-V250 HydrophobicContact SD-CB 4.36Å; M195-V250 HydrophobicContact SD-CG1 3.73Å; M195-V250 HydrophobicContact SD-CG2 4.16Å; M195-F254 HydrophobicContact CB-CD1 3.75Å; M195-F254 HydrophobicContact CB-CD2 3.89Å; M195-F254 HydrophobicContact CB-CE1 3.63Å; M195-F254 HydrophobicContact CB-CE2 3.76Å; M195-F254 HydrophobicContact CB-CG 3.88Å; M195-F254 HydrophobicContact CB-CZ 3.63Å; M195-F254 HydrophobicContact CE-CB 3.62Å; M195-F254 HydrophobicContact CE-CD2 3.65Å; M195-F254 HydrophobicContact CE-CE2 4.48Å; M195-F254 HydrophobicContact CE-CG 3.73Å; M195-F254 HydrophobicContact SD-CB 3.77Å; M195-F254 HydrophobicContact SD-CD1 4.29Å; M195-F254 HydrophobicContact SD-CD2 4.33Å; M195-F254 HydrophobicContact SD-CG 3.89Å; M195-W375 HydrophobicContact CE-CH2 3.24Å; M195-W375 HydrophobicContact CE-CZ2 3.63Å; M195-W375 HydrophobicContact CE-CZ3 4Å
196T98.9Very high98.5Very high5 Ų539.8 Ų39.83%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-102.4134173.457.40000109.8Y173 V184 Y224 V226Y173-T196 HydrophobicContact CD1-CG2 3.98Å; V184-T196 HydrophobicContact CG1-CG2 4.19Å; T196-Y224 PolarHBondContact N-O 3.16Å; T196-V226 PolarHBondContact O-N 2.98Å
197V98.9Very high98.4Very high0 Ų038.6 Ų38.60%023%0.229CC..EExtended strand (participates in β ladder)trans-129.5115.6174.7-174.80000107.8L172 Y173 V174 D175 M195 L199 V226 I228 V246 M247 V250L172-V197 HydrophobicContact CD1-CG2 3.77Å; Y173-V197 PolarHBondContact O-N 2.88Å; V174-V197 CarbonylContact C-O 3.6Å; V174-V197 WeakPolarHBondContact CA-O 3.42Å; D175-V197 PolarHBondContact N-O 2.95Å; M195-V197 HydrophobicContact CG-CG2 4.23Å; M195-V197 HydrophobicContact SD-CG2 4.48Å; V197-L199 HydrophobicContact CG1-CD1 4.32Å; V197-V226 VanDerWaalsContact CA-O 3.31Å; V197-V226 WeakPolarHBondContact CA-O 3.47Å; V197-V226 HydrophobicContact CG1-CB 4.37Å; V197-V226 HydrophobicContact CG1-CG1 4.37Å; V197-V226 HydrophobicContact CG2-CB 4.13Å; V197-V226 HydrophobicContact CG2-CG2 4.45Å; V197-I228 HydrophobicContact CG1-CD1 3.7Å; V197-V246 HydrophobicContact CG1-CG1 4.33Å; V197-M247 HydrophobicContact CG1-SD 4Å; V197-M247 HydrophobicContact CG2-SD 4.49Å; V197-V250 HydrophobicContact CG2-CG1 4.18Å; V197-V250 HydrophobicContact CG2-CG2 3.89Å
198S98.9Very high98.4Very high3 Ų338.4 Ų38.42%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-124.6128.3-179.5-178.40000111.6G181 H200 V226 I228G181-S198 PolarHBondContact N-OG 2.98Å; S198-H200 PolarHBondContact O-ND1 3.41Å; S198-H200 PolarHBondContact OG-ND1 3.48Å; S198-V226 PolarHBondContact N-O 2.58Å; S198-I228 VanDerWaalsContact O-CD1 3.25Å; S198-I228 WeakPolarHBondContact O-CD1 3.48Å; S198-I228 PolarHBondContact O-N 2.8Å
199L98.8Very high98.4Very high1 Ų140 Ų401%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-110.2103.4173.2-67.187.6000108.9D175 D177 V197 I228 L230 Y239 V242 F243D175-L199 PolarHBondContact O-N 3.26Å; D177-L199 VanDerWaalsContact O-O 3.06Å; V197-L199 HydrophobicContact CG1-CD1 4.32Å; L199-I228 HydrophobicContact CB-CB 4.41Å; L199-I228 HydrophobicContact CD1-CD1 4.11Å; L199-I228 HydrophobicContact CD2-CG2 4.38Å; L199-I228 HydrophobicContact CG-CB 3.92Å; L199-I228 HydrophobicContact CG-CD1 3.99Å; L199-I228 HydrophobicContact CG-CG1 4.11Å; L199-I228 HydrophobicContact CG-CG2 4.23Å; L199-L230 HydrophobicContact CB-CD1 4.37Å; L199-Y239 HydrophobicContact CB-CE2 4.24Å; L199-Y239 VanDerWaalsContact CB-OH 3.32Å; L199-Y239 WeakPolarHBondContact CB-OH 3.39Å; L199-Y239 HydrophobicContact CD2-CE1 4.08Å; L199-Y239 HydrophobicContact CD2-CE2 4.41Å; L199-V242 HydrophobicContact CD2-CG1 4.43Å; L199-F243 HydrophobicContact CD1-CD2 3.81Å; L199-F243 HydrophobicContact CD1-CE2 4.26Å; L199-F243 HydrophobicContact CD2-CB 4.06Å; L199-F243 HydrophobicContact CD2-CD2 4.04Å
200H98.9Very high98.4Very high0 Ų042.1 Ų42.10%026%0.258CS..EExtended strand (participates in β ladder)trans-140164.3-167.852.4-97.2000111.5L178 H179 H180 S198 G211 N227 I228 L230L178-H200 CarbonylContact O-C 3.57Å; L178-H200 WeakPolarHBondContact O-CA 3.43Å; L178-H200 WeakPolarHBondContact O-CB 3.13Å; H179-H200 VanDerWaalsContact C-CB 3.46Å; H180-H200 HydrophobicContact CB-CB 4.3Å; H180-H200 AromaticContact CD2-CE1 3.57Å; H180-H200 AromaticContact CD2-ND1 3.71Å; H180-H200 AromaticContact CG-CE1 3.81Å; H180-H200 AromaticContact CG-ND1 3.98Å; S198-H200 PolarHBondContact O-ND1 3.41Å; S198-H200 PolarHBondContact OG-ND1 3.48Å; H200-G211 PolarHBondContact CE1-O 2.8Å; H200-G211 PolarHBondContact NE2-O 3.29Å; H200-N227 PolarHBondContact CE1-OD1 3.29Å; H200-I228 PolarHBondContact N-O 2.97Å; H200-L230 WeakPolarHBondContact O-CB 3.14Å; H200-L230 PolarHBondContact O-N 3.28Å
201K98.8Very high98.3Very high25 Ų2535.6 Ų35.611%0.10923%0.23CC..EExtended strand (participates in β ladder)trans-71130.5169170.9170.5168173.90109.4L178 F206 L230 D232 S275 F276L178-K201 HydrophobicContact CD1-CB 3.87Å; L178-K201 HydrophobicContact CG-CB 4.45Å; L178-K201 PolarHBondContact O-N 2.99Å; K201-F206 HydrophobicContact CB-CD1 3.82Å; K201-F206 HydrophobicContact CB-CE1 3.58Å; K201-F206 HydrophobicContact CB-CG 4.46Å; K201-F206 HydrophobicContact CB-CZ 4.04Å; K201-F206 HydrophobicContact CD-CD1 4.02Å; K201-F206 HydrophobicContact CD-CD2 3.64Å; K201-F206 HydrophobicContact CD-CE1 4.05Å; K201-F206 HydrophobicContact CD-CE2 3.67Å; K201-F206 HydrophobicContact CD-CG 3.83Å; K201-F206 HydrophobicContact CD-CZ 3.89Å; K201-F206 HydrophobicContact CG-CB 4.49Å; K201-F206 HydrophobicContact CG-CD1 3.64Å; K201-F206 HydrophobicContact CG-CD2 4.16Å; K201-F206 HydrophobicContact CG-CE1 3.85Å; K201-F206 HydrophobicContact CG-CE2 4.35Å; K201-F206 HydrophobicContact CG-CG 3.81Å; K201-F206 HydrophobicContact CG-CZ 4.21Å; K201-F206 VanDerWaalsContact O-CD1 3.24Å; K201-F206 WeakPolarHBondContact O-CD1 3.35Å; K201-L230 VanDerWaalsContact CA-O 3.3Å; K201-L230 WeakPolarHBondContact CA-O 3.4Å; K201-D232 WeakPolarHBondContact CD-OD1 3.13Å; K201-D232 VanDerWaalsContact CE-OD1 3.3Å; K201-D232 WeakPolarHBondContact CE-OD1 3.26Å; K201-D232 IonicContact NZ-OD1 2.71Å; K201-D232 PolarHBondContact NZ-OD1 2.82Å; K201-D232 IonicContact NZ-OD2 3.75Å; K201-S275 WeakPolarHBondContact CD-OG 3.34Å; K201-S275 PolarHBondContact NZ-OG 2.8Å; K201-F276 HydrophobicContact CB-CE1 3.83Å; K201-F276 HydrophobicContact CB-CZ 4.04Å
202F98.3Very high98.3Very high57 Ų5736.1 Ų36.125%0.2523%0.231CC..  trans-129.5107.8175.2-173.5-104.9000109.6T210 D212 P229 L230F202-T210 WeakPolarHBondContact CD2-O 2.96Å; F202-D212 HydrophobicContact CE1-CB 4.02Å; F202-D212 WeakPolarHBondContact CE1-OD2 3.35Å; F202-D212 HydrophobicContact CE2-CB 4.34Å; F202-D212 HydrophobicContact CZ-CB 3.72Å; F202-P229 HydrophobicContact CB-CB 3.34Å; F202-P229 HydrophobicContact CD1-CB 3.89Å; F202-P229 HydrophobicContact CG-CB 3.82Å; F202-L230 PolarHBondContact N-O 2.66Å
203S97.3Very high98.2Very high36 Ų3635.7 Ų35.725%0.25223%0.227SC..  trans-151.4149.1-176.7-160.90000109.7G205 F206S203-G205 PolarHBondContact O-N 3.32Å; S203-G205 VanDerWaalsContact O-N 3.13Å; S203-F206 WeakPolarHBondContact O-CB 3.48Å; S203-F206 PolarHBondContact O-N 2.85Å
204P97.6Very high98Very high134 Ų13436.8 Ų36.887%0.8724%0.242SC*.THydrogen-bonded Turntrans-52.8121.6177.6-27.835.9000112.5F206P204-F206 VanDerWaalsContact C-N 3.34Å
205G96.4Very high97.9Very high89 Ų8939.7 Ų39.792%0.91826%0.257SS*.THydrogen-bonded Turntrans82.23.4-179.500000115.3S203S203-G205 PolarHBondContact O-N 3.32Å; S203-G205 VanDerWaalsContact O-N 3.13Å
206F98.4Very high97.9Very high30 Ų3040.8 Ų40.813%0.13226%0.264CS..  trans-84134.6169.9-168.5-102.5000110.4L178 H179 K201 S203 P204 G209L178-F206 HydrophobicContact CD2-CE2 4.4Å; L178-F206 HydrophobicContact CD2-CZ 3.8Å; L178-F206 HydrophobicContact CG-CE1 4.36Å; L178-F206 HydrophobicContact CG-CZ 3.78Å; H179-F206 AromaticContact CD2-CE1 3.63Å; H179-F206 AromaticContact CD2-CZ 3.52Å; H179-F206 AromaticContact NE2-CZ 3.5Å; K201-F206 HydrophobicContact CB-CD1 3.82Å; K201-F206 HydrophobicContact CB-CE1 3.58Å; K201-F206 HydrophobicContact CB-CG 4.46Å; K201-F206 HydrophobicContact CB-CZ 4.04Å; K201-F206 HydrophobicContact CD-CD1 4.02Å; K201-F206 HydrophobicContact CD-CD2 3.64Å; K201-F206 HydrophobicContact CD-CE1 4.05Å; K201-F206 HydrophobicContact CD-CE2 3.67Å; K201-F206 HydrophobicContact CD-CG 3.83Å; K201-F206 HydrophobicContact CD-CZ 3.89Å; K201-F206 HydrophobicContact CG-CB 4.49Å; K201-F206 HydrophobicContact CG-CD1 3.64Å; K201-F206 HydrophobicContact CG-CD2 4.16Å; K201-F206 HydrophobicContact CG-CE1 3.85Å; K201-F206 HydrophobicContact CG-CE2 4.35Å; K201-F206 HydrophobicContact CG-CG 3.81Å; K201-F206 HydrophobicContact CG-CZ 4.21Å; K201-F206 VanDerWaalsContact O-CD1 3.24Å; K201-F206 WeakPolarHBondContact O-CD1 3.35Å; S203-F206 WeakPolarHBondContact O-CB 3.48Å; S203-F206 PolarHBondContact O-N 2.85Å; P204-F206 VanDerWaalsContact C-N 3.34Å; F206-G209 WeakPolarHBondContact O-CA 3.14Å; F206-G209 PolarHBondContact O-N 3.43Å
207F98.4Very high97.8Very high78 Ų7841 Ų4134%0.34227%0.268SS..THydrogen-bonded Turntrans-69144.3-179.3-176.4-89.8000111.2H142 H179H142-F207 AromaticContact CD2-CE1 3.69Å; H142-F207 AromaticContact CE1-CE1 3.63Å; H142-F207 AromaticContact CG-CE1 3.87Å; H142-F207 AromaticContact ND1-CE1 3.83Å; H142-F207 AromaticContact NE2-CE1 3.5Å; H142-F207 WeakPolarHBondContact NE2-CE1 3.24Å; H179-F207 PolarHBondContact CD2-O 3.12Å
208P98.2Very high97.7Very high33 Ų3345.5 Ų45.521%0.21429%0.291CS..THydrogen-bonded Turncis-84.7-0.5-4.433.1-34.7000114.1H180 D182H180-P208 HydrophobicContact CB-CG 3.95Å; D182-P208 HydrophobicContact CB-CG 3.89Å
209G97.9Very high97.6Very high49 Ų4948.4 Ų48.451%0.50532%0.321SS..  trans874.9179.800000115F206F206-G209 WeakPolarHBondContact O-CA 3.14Å; F206-G209 PolarHBondContact O-N 3.43Å
210T98.5Very high97.5Very high60 Ų6056.6 Ų56.637%0.36836%0.357SS..  trans-110.3174.917454.90000110.7H180 D182 F202H180-T210 PolarHBondContact ND1-O 2.89Å; H180-T210 PolarHBondContact ND1-OG1 3.04Å; D182-T210 WeakPolarHBondContact CB-OG1 3.3Å; F202-T210 WeakPolarHBondContact CD2-O 2.96Å
211G98.1Very high97.5Very high0 Ų056.6 Ų56.60%036%0.358CS..  trans95.93117700000113.3H180 H200 D215 N227H180-G211 PolarHBondContact ND1-N 3.09Å; H200-G211 PolarHBondContact CE1-O 2.8Å; H200-G211 PolarHBondContact NE2-O 3.29Å; G211-D215 PolarHBondContact N-OD2 3.39Å; G211-D215 VanDerWaalsContact N-OD2 3.08Å; G211-N227 WeakPolarHBondContact O-CB 3.29Å
212D97.5Very high97.4Very high54 Ų5461.3 Ų61.329%0.28937%0.374SS..  trans-62.6153.1169.7-171.4-84.1000109.5F202 C214 D215 N227F202-D212 HydrophobicContact CE1-CB 4.02Å; F202-D212 WeakPolarHBondContact CE1-OD2 3.35Å; F202-D212 HydrophobicContact CE2-CB 4.34Å; F202-D212 HydrophobicContact CZ-CB 3.72Å; D212-C214 PolarHBondContact O-N 3.46Å; D212-C214 WeakPolarHBondContact OD1-CB 3.18Å; D212-C214 PolarHBondContact OD1-N 3.3Å; D212-C214 PolarHBondContact OD1-SG 3.36Å; D212-D215 PolarHBondContact N-OD2 3.14Å; D212-D215 VanDerWaalsContact O-CB 3.32Å; D212-D215 WeakPolarHBondContact O-CB 3.19Å; D212-D215 PolarHBondContact O-N 3.32Å; D212-N227 WeakPolarHBondContact O-CB 3.46Å
213V96.1Very high97.2Very high25 Ų2562.3 Ų62.315%0.15238%0.377CS..THydrogen-bonded Turntrans-56.9-20.5175.671.90000113.1P229 V364 T367 V368V213-P229 HydrophobicContact CB-CG 3.9Å; V213-V364 HydrophobicContact CG2-CG1 4.21Å; V213-T367 HydrophobicContact CG1-CG2 4.26Å; V213-T367 HydrophobicContact CG2-CG2 3.74Å; V213-V368 HydrophobicContact CG2-CG2 4.18Å
214C95.4Very high97.3Very high89 Ų8962.4 Ų62.460%0.60137%0.372SS*.THydrogen-bonded Turntrans-82.5-16.1175.7-56.90000114D212 T216D212-C214 PolarHBondContact O-N 3.46Å; D212-C214 WeakPolarHBondContact OD1-CB 3.18Å; D212-C214 PolarHBondContact OD1-N 3.3Å; D212-C214 PolarHBondContact OD1-SG 3.36Å; C214-T216 PolarHBondContact O-N 3.13Å; C214-T216 VanDerWaalsContact O-N 3.08Å; C214-T216 PolarHBondContact O-OG1 3.14Å
215D96.8Very high97.3Very high64 Ų6456.2 Ų56.234%0.34233%0.332SS..  trans-73.8100.1176.6-64.2-25.6000108.2G211 D212 N227G211-D215 PolarHBondContact N-OD2 3.39Å; G211-D215 VanDerWaalsContact N-OD2 3.08Å; D212-D215 PolarHBondContact N-OD2 3.14Å; D212-D215 VanDerWaalsContact O-CB 3.32Å; D212-D215 WeakPolarHBondContact O-CB 3.19Å; D212-D215 PolarHBondContact O-N 3.32Å; D215-N227 PolarHBondContact O-ND2 2.83Å
216T97.1Very high97.4Very high24 Ų2452.3 Ų52.315%0.14729%0.29CS..  trans-123.918.1-165.946.60000112.4C214 R222 W223 A225C214-T216 PolarHBondContact O-N 3.13Å; C214-T216 VanDerWaalsContact O-N 3.08Å; C214-T216 PolarHBondContact O-OG1 3.14Å; T216-R222 CarbonylContact O-C 3.45Å; T216-R222 WeakPolarHBondContact O-CA 3.48Å; T216-W223 HydrophobicContact CG2-CE3 3.87Å; T216-W223 HydrophobicContact CG2-CZ3 3.86Å; T216-W223 WeakPolarHBondContact O-CA 3.24Å; T216-W223 PolarHBondContact O-N 3.09Å; T216-A225 WeakPolarHBondContact CA-O 3.29Å
217G97.3Very high97.4Very high10 Ų1051 Ų5110%0.10328%0.284CS..  trans75.9176-175.300000113.4
218L97.1Very high97.4Very high94 Ų9447.2 Ų47.249%0.49227%0.268SS..  trans-131150.8-164.7-61.3173.9000111.7S189 F190 K220 G221 R222S189-L218 PolarHBondContact O-N 3.43Å; F190-L218 WeakPolarHBondContact CA-O 3.11Å; F190-L218 HydrophobicContact CD1-CB 3.84Å; F190-L218 HydrophobicContact CD2-CB 4.42Å; F190-L218 HydrophobicContact CE1-CB 3.53Å; F190-L218 HydrophobicContact CE1-CD1 4.15Å; F190-L218 HydrophobicContact CE1-CG 4.49Å; F190-L218 HydrophobicContact CE2-CB 4.13Å; F190-L218 HydrophobicContact CE2-CD1 3.68Å; F190-L218 HydrophobicContact CG-CB 4.29Å; F190-L218 HydrophobicContact CZ-CB 3.69Å; F190-L218 HydrophobicContact CZ-CD1 3.42Å; F190-L218 VanDerWaalsContact CZ-CD1 3.42Å; F190-L218 HydrophobicContact CZ-CG 4.2Å; L218-K220 PolarHBondContact O-N 2.85Å; L218-K220 VanDerWaalsContact O-N 3.12Å; L218-G221 CarbonylContact O-C 3.47Å; L218-G221 WeakPolarHBondContact O-CA 3.44Å; L218-G221 PolarHBondContact O-N 3.13Å; L218-R222 PolarHBondContact O-N 2.87Å
219G97.4Very high97.4Very high64 Ų6446.1 Ų46.166%0.6626%0.261SS*.G310 helixtrans53.2-120.317600000112.9G221 R222G219-G221 VanDerWaalsContact C-N 3.3Å; G219-R222 WeakPolarHBondContact O-CB 3.49Å; G219-R222 PolarHBondContact O-N 3.49Å
220K97.1Very high97.5Very high173 Ų17343.8 Ų43.875%0.75224%0.236SC*.G310 helixtrans-73.5-19.7177.5-68.7-177.7178.9177.50113.6S192 L218 R222S192-K220 WeakPolarHBondContact CB-O 3.39Å; L218-K220 PolarHBondContact O-N 2.85Å; L218-K220 VanDerWaalsContact O-N 3.12Å; K220-R222 VanDerWaalsContact C-N 3.32Å
221G97.4Very high97.5Very high1 Ų143.7 Ų43.71%0.0123%0.232CC..G310 helixtrans-89.23.8173.600000113.1S189 F190 T191 L218 G219 W223 Y224S189-G221 WeakPolarHBondContact O-CA 3.38Å; F190-G221 PolarHBondContact O-N 3.24Å; T191-G221 VanDerWaalsContact O-CA 3.28Å; T191-G221 WeakPolarHBondContact O-CA 3.45Å; L218-G221 CarbonylContact O-C 3.47Å; L218-G221 WeakPolarHBondContact O-CA 3.44Å; L218-G221 PolarHBondContact O-N 3.13Å; G219-G221 VanDerWaalsContact C-N 3.3Å; G221-W223 PolarHBondContact O-N 2.81Å; G221-Y224 WeakPolarHBondContact O-CA 3.4Å; G221-Y224 WeakPolarHBondContact O-CB 3.36Å; G221-Y224 PolarHBondContact O-N 3Å
222R96.6Very high97.5Very high123 Ų12345.2 Ų45.246%0.46424%0.24SC..THydrogen-bonded Turntrans-56.8132.8171.7-171.3-176.917783.16.1109.7T216 L218 G219 K220 Y224T216-R222 CarbonylContact O-C 3.45Å; T216-R222 WeakPolarHBondContact O-CA 3.48Å; L218-R222 PolarHBondContact O-N 2.87Å; G219-R222 WeakPolarHBondContact O-CB 3.49Å; G219-R222 PolarHBondContact O-N 3.49Å; K220-R222 VanDerWaalsContact C-N 3.32Å; R222-Y224 WeakPolarHBondContact O-CD2 3.42Å; R222-Y224 PolarHBondContact O-N 2.86Å
223W95.7Very high97.5Very high79 Ų7942.7 Ų42.730%0.29923%0.227SC..THydrogen-bonded Turntrans76.1-16.3-170.3-45.7119.4000115.4T216 G221 A225 A371 F373 W375T216-W223 HydrophobicContact CG2-CE3 3.87Å; T216-W223 HydrophobicContact CG2-CZ3 3.86Å; T216-W223 WeakPolarHBondContact O-CA 3.24Å; T216-W223 PolarHBondContact O-N 3.09Å; G221-W223 PolarHBondContact O-N 2.81Å; W223-A225 VanDerWaalsContact C-N 3.27Å; W223-A225 PolarHBondContact O-N 3.28Å; W223-A371 HydrophobicContact CE3-CB 3.94Å; W223-A371 HydrophobicContact CH2-CB 4.4Å; W223-A371 HydrophobicContact CZ3-CB 3.75Å; W223-F373 HydrophobicContact CB-CD1 4.35Å; W223-F373 HydrophobicContact CB-CE1 4.1Å; W223-W375 HydrophobicContact CB-CE3 4.02Å; W223-W375 HydrophobicContact CB-CH2 3.7Å; W223-W375 HydrophobicContact CB-CZ3 3.35Å; W223-W375 WeakPolarHBondContact O-CH2 3.36Å; W223-W375 WeakPolarHBondContact O-CZ3 3.41Å
224Y97.9Very high97.6Very high38 Ų3841.5 Ų41.515%0.14922%0.219CC..  trans-83.53.9-178.4-67-96.5000114.3S192 M195 T196 G221 R222 F254 W375S192-Y224 WeakPolarHBondContact O-CE1 3.49Å; M195-Y224 CarbonylContact C-O 3.51Å; M195-Y224 WeakPolarHBondContact CA-O 3.37Å; M195-Y224 HydrophobicContact CB-CD1 4.45Å; M195-Y224 HydrophobicContact CE-CD1 3.79Å; M195-Y224 HydrophobicContact CE-CE1 4.31Å; M195-Y224 HydrophobicContact CE-CG 4.44Å; M195-Y224 WeakPolarHBondContact CG-O 3.38Å; T196-Y224 PolarHBondContact N-O 3.16Å; G221-Y224 WeakPolarHBondContact O-CA 3.4Å; G221-Y224 WeakPolarHBondContact O-CB 3.36Å; G221-Y224 PolarHBondContact O-N 3Å; R222-Y224 WeakPolarHBondContact O-CD2 3.42Å; R222-Y224 PolarHBondContact O-N 2.86Å; Y224-F254 AromaticContact CD1-CD2 3.81Å; Y224-F254 HydrophobicContact CD1-CD2 3.81Å; Y224-F254 AromaticContact CD1-CE2 3.67Å; Y224-F254 HydrophobicContact CD1-CE2 3.67Å; Y224-F254 AromaticContact CE1-CD2 3.67Å; Y224-F254 HydrophobicContact CE1-CD2 3.67Å; Y224-F254 AromaticContact CE1-CE2 3.72Å; Y224-F254 HydrophobicContact CE1-CE2 3.72Å; Y224-W375 HydrophobicContact CD1-CE3 4.39Å; Y224-W375 HydrophobicContact CD1-CH2 4.37Å; Y224-W375 AromaticContact CD1-CZ3 3.79Å; Y224-W375 HydrophobicContact CD1-CZ3 3.79Å; Y224-W375 AromaticContact CD2-CE3 3.95Å; Y224-W375 HydrophobicContact CD2-CE3 3.95Å; Y224-W375 AromaticContact CD2-CZ3 3.43Å; Y224-W375 HydrophobicContact CD2-CZ3 3.43Å; Y224-W375 VanDerWaalsContact CD2-CZ3 3.43Å; Y224-W375 AromaticContact CE1-CE3 3.89Å; Y224-W375 HydrophobicContact CE1-CE3 3.89Å; Y224-W375 AromaticContact CE1-CZ3 3.77Å; Y224-W375 HydrophobicContact CE1-CZ3 3.77Å; Y224-W375 AromaticContact CE2-CE3 3.35Å; Y224-W375 HydrophobicContact CE2-CE3 3.35Å; Y224-W375 AromaticContact CE2-CZ3 3.36Å; Y224-W375 HydrophobicContact CE2-CZ3 3.36Å; Y224-W375 HydrophobicContact CG-CE3 4.4Å; Y224-W375 HydrophobicContact CG-CH2 4.33Å; Y224-W375 AromaticContact CG-CZ3 3.61Å; Y224-W375 HydrophobicContact CG-CZ3 3.61Å; Y224-W375 AromaticContact CZ-CE3 3.3Å; Y224-W375 AromaticContact CZ-CZ3 3.52Å
225A98.5Very high97.8Very high3 Ų341 Ų413%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-110.4127.5163.100000109E185 T216 W223E185-A225 HydrophobicContact CG-CB 3.99Å; E185-A225 WeakPolarHBondContact OE2-CB 3.41Å; T216-A225 WeakPolarHBondContact CA-O 3.29Å; W223-A225 VanDerWaalsContact C-N 3.27Å; W223-A225 PolarHBondContact O-N 3.28Å
226V98.6Very high97.8Very high7 Ų739.1 Ų39.14%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-124110.9-176.4-1770000108.9M195 T196 V197 S198 I228 V246 V368M195-V226 HydrophobicContact SD-CG2 4.42Å; T196-V226 PolarHBondContact O-N 2.98Å; V197-V226 VanDerWaalsContact CA-O 3.31Å; V197-V226 WeakPolarHBondContact CA-O 3.47Å; V197-V226 HydrophobicContact CG1-CB 4.37Å; V197-V226 HydrophobicContact CG1-CG1 4.37Å; V197-V226 HydrophobicContact CG2-CB 4.13Å; V197-V226 HydrophobicContact CG2-CG2 4.45Å; S198-V226 PolarHBondContact N-O 2.58Å; V226-I228 HydrophobicContact CG1-CD1 3.96Å; V226-V246 HydrophobicContact CG1-CG1 4Å; V226-V368 HydrophobicContact CG1-CG1 3.65Å; V226-V368 HydrophobicContact CG1-CG2 4.16Å
227N98.7Very high97.8Very high2 Ų243.4 Ų43.41%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-109.3130.7-178.7-73-57.4000111.7H180 E185 H200 G211 D212 D215 P229H180-N227 PolarHBondContact CD2-OD1 2.94Å; H180-N227 PolarHBondContact NE2-OD1 3.49Å; E185-N227 PolarHBondContact OE1-ND2 2.88Å; E185-N227 PolarHBondContact OE2-ND2 2.99Å; E185-N227 PolarHBondContact OE2-OD1 3.44Å; H200-N227 PolarHBondContact CE1-OD1 3.29Å; G211-N227 WeakPolarHBondContact O-CB 3.29Å; D212-N227 WeakPolarHBondContact O-CB 3.46Å; D215-N227 PolarHBondContact O-ND2 2.83Å; N227-P229 WeakPolarHBondContact O-CD 3.39Å
228I98.6Very high97.8Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-117.885179.6-55.784.5000107.4V197 S198 L199 H200 V226 L230 V242 V246 V364V197-I228 HydrophobicContact CG1-CD1 3.7Å; S198-I228 VanDerWaalsContact O-CD1 3.25Å; S198-I228 WeakPolarHBondContact O-CD1 3.48Å; S198-I228 PolarHBondContact O-N 2.8Å; L199-I228 HydrophobicContact CB-CB 4.41Å; L199-I228 HydrophobicContact CD1-CD1 4.11Å; L199-I228 HydrophobicContact CD2-CG2 4.38Å; L199-I228 HydrophobicContact CG-CB 3.92Å; L199-I228 HydrophobicContact CG-CD1 3.99Å; L199-I228 HydrophobicContact CG-CG1 4.11Å; L199-I228 HydrophobicContact CG-CG2 4.23Å; H200-I228 PolarHBondContact N-O 2.97Å; V226-I228 HydrophobicContact CG1-CD1 3.96Å; I228-L230 HydrophobicContact CG2-CD2 4.06Å; I228-L230 HydrophobicContact CG2-CG 4.26Å; I228-L230 PolarHBondContact O-N 2.89Å; I228-V242 HydrophobicContact CG2-CG1 3.56Å; I228-V246 HydrophobicContact CD1-CG1 4.26Å; I228-V246 HydrophobicContact CG1-CG2 4.13Å; I228-V364 HydrophobicContact CG2-CG1 3.97Å
229P98.2Very high97.9Very high9 Ų941.2 Ų41.26%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-67.8129.7176.527.1-35.1000110.4F202 V213 N227 V364F202-P229 HydrophobicContact CB-CB 3.34Å; F202-P229 HydrophobicContact CD1-CB 3.89Å; F202-P229 HydrophobicContact CG-CB 3.82Å; V213-P229 HydrophobicContact CB-CG 3.9Å; N227-P229 WeakPolarHBondContact O-CD 3.39Å; P229-V364 HydrophobicContact CG-CG1 4.49Å; P229-V364 HydrophobicContact CG-CG2 4.2Å
230L98.4Very high98Very high0 Ų040.7 Ų40.70%018%0.182CC..EExtended strand (participates in β ladder)trans-126.6159.3179.5-59.6172000111.2L199 H200 K201 F202 I228 I234 Y239 F276 L361L199-L230 HydrophobicContact CB-CD1 4.37Å; H200-L230 WeakPolarHBondContact O-CB 3.14Å; H200-L230 PolarHBondContact O-N 3.28Å; K201-L230 VanDerWaalsContact CA-O 3.3Å; K201-L230 WeakPolarHBondContact CA-O 3.4Å; F202-L230 PolarHBondContact N-O 2.66Å; I228-L230 HydrophobicContact CG2-CD2 4.06Å; I228-L230 HydrophobicContact CG2-CG 4.26Å; I228-L230 PolarHBondContact O-N 2.89Å; L230-I234 HydrophobicContact CD1-CD1 3.99Å; L230-I234 HydrophobicContact CD2-CD1 4Å; L230-Y239 HydrophobicContact CD1-CD2 3.99Å; L230-Y239 HydrophobicContact CD1-CE2 3.84Å; L230-F276 HydrophobicContact CB-CE1 3.97Å; L230-F276 HydrophobicContact CB-CZ 3.67Å; L230-F276 HydrophobicContact CD1-CE2 4.13Å; L230-F276 HydrophobicContact CD1-CZ 3.87Å; L230-F276 HydrophobicContact CG-CZ 4.4Å; L230-L361 HydrophobicContact CD2-CD2 3.61Å
231E98.3Very high98Very high59 Ų5938.4 Ų38.428%0.27617%0.174SC..  trans-103.7171.9178.1-66.4-73.4179.400111.4F276 R355 N356E231-F276 WeakPolarHBondContact O-CE1 3.31Å; E231-R355 HydrophobicContact CB-CB 3.9Å; E231-N356 PolarHBondContact N-OD1 2.67Å; E231-N356 PolarHBondContact O-ND2 2.78Å
232D98.4Very high98Very high31 Ų3138.4 Ų38.417%0.16617%0.174CC..THydrogen-bonded Turntrans-57.1150.3179.8-68.3-38.6000113.9K201 R355 N356K201-D232 WeakPolarHBondContact CD-OD1 3.13Å; K201-D232 VanDerWaalsContact CE-OD1 3.3Å; K201-D232 WeakPolarHBondContact CE-OD1 3.26Å; K201-D232 IonicContact NZ-OD1 2.71Å; K201-D232 PolarHBondContact NZ-OD1 2.82Å; K201-D232 IonicContact NZ-OD2 3.75Å; D232-R355 WeakPolarHBondContact O-CB 3.32Å; D232-R355 PolarHBondContact O-N 3.46Å; D232-R355 IonicContact OD2-NH1 3.87Å; D232-N356 PolarHBondContact O-ND2 2.84Å
233G98.3Very high98.1Very high1 Ų132.6 Ų32.61%0.0115%0.152CC..THydrogen-bonded Turntrans82.28.2165.300000116.2S275 D354G233-S275 PolarHBondContact N-O 3.48Å; G233-D354 VanDerWaalsContact C-CG 3.5Å; G233-D354 VanDerWaalsContact O-CB 3.23Å; G233-D354 WeakPolarHBondContact O-CB 3.47Å
234I98.4Very high98.2Very high0 Ų029.8 Ų29.80%014%0.144CC..  trans-56.5140.2175.6-158.5166.9000111.8L230 R238 Y239 F276 N277 M278 D354L230-I234 HydrophobicContact CD1-CD1 3.99Å; L230-I234 HydrophobicContact CD2-CD1 4Å; I234-R238 HydrophobicContact CD1-CG 4.3Å; I234-R238 HydrophobicContact CG1-CB 4.16Å; I234-R238 HydrophobicContact CG1-CG 4.28Å; I234-Y239 HydrophobicContact CD1-CD2 4.1Å; I234-Y239 HydrophobicContact CG2-CD2 3.84Å; I234-F276 HydrophobicContact CG2-CB 4.01Å; I234-F276 HydrophobicContact CG2-CD1 3.67Å; I234-F276 HydrophobicContact CG2-CD2 3.75Å; I234-F276 HydrophobicContact CG2-CE1 4.04Å; I234-F276 HydrophobicContact CG2-CE2 4.14Å; I234-F276 HydrophobicContact CG2-CG 3.53Å; I234-F276 HydrophobicContact CG2-CZ 4.28Å; I234-N277 CarbonylContact O-C 3.34Å; I234-N277 WeakPolarHBondContact O-CA 3.21Å; I234-N277 PolarHBondContact O-N 2.83Å; I234-M278 HydrophobicContact CG2-SD 4.32Å; I234-D354 VanDerWaalsContact CA-CG 3.47Å; I234-D354 WeakPolarHBondContact CA-OD1 3.24Å; I234-D354 WeakPolarHBondContact CA-OD2 3.41Å; I234-D354 PolarHBondContact N-OD1 2.85Å
235Q98.3Very high98.1Very high80 Ų8029.3 Ų29.337%0.37415%0.146SC..  trans-117.7166.6179.7-61.4-175.519.100112D237 R238 Y239 N277 M278Q235-D237 PolarHBondContact O-N 3.31Å; Q235-R238 PolarHBondContact O-N 3.35Å; Q235-R238 VanDerWaalsContact O-N 3.12Å; Q235-Y239 PolarHBondContact O-N 2.89Å; Q235-N277 HydrophobicContact CG-CB 4.16Å; Q235-N277 PolarHBondContact NE2-ND2 3.36Å; Q235-M278 VanDerWaalsContact C-SD 3.5Å
236D98.5Very high98Very high24 Ų2429.2 Ų29.213%0.12815%0.145CC..Hα-helixtrans-44.4-54-170.3-66.1-9.7000115.4R238 F240 T279 G282D236-R238 PolarHBondContact O-N 3.02Å; D236-F240 VanDerWaalsContact O-CB 3.23Å; D236-F240 WeakPolarHBondContact O-CB 3.2Å; D236-F240 PolarHBondContact O-N 3.25Å; D236-T279 PolarHBondContact OD1-N 3.2Å; D236-T279 WeakPolarHBondContact OD2-CB 3.32Å; D236-T279 PolarHBondContact OD2-OG1 3.08Å; D236-G282 PolarHBondContact OD2-N 2.74Å
237D97.3Very high97.9Very high114 Ų11428.9 Ų28.961%0.6114%0.143SC*.Hα-helixtrans-67.6-38.3-173.6-73.1-20.4000112Q235 Q241 K285Q235-D237 PolarHBondContact O-N 3.31Å; D237-Q241 VanDerWaalsContact O-CB 3.31Å; D237-Q241 WeakPolarHBondContact O-CB 3.41Å; D237-Q241 PolarHBondContact O-N 3.2Å; D237-K285 IonicContact OD1-NZ 3.08Å; D237-K285 PolarHBondContact OD1-NZ 3.23Å
238R97Very high97.7Very high57 Ų5734.5 Ų34.522%0.21517%0.169CC..Hα-helixtrans-73.8-42.9179.9-170.1144.579.8169.612.1111.3I234 Q235 D236 Q241 V242 D354 N356 L361I234-R238 HydrophobicContact CD1-CG 4.3Å; I234-R238 HydrophobicContact CG1-CB 4.16Å; I234-R238 HydrophobicContact CG1-CG 4.28Å; Q235-R238 PolarHBondContact O-N 3.35Å; Q235-R238 VanDerWaalsContact O-N 3.12Å; D236-R238 PolarHBondContact O-N 3.02Å; R238-Q241 PolarHBondContact O-N 3.47Å; R238-V242 WeakPolarHBondContact O-CG2 3.45Å; R238-V242 PolarHBondContact O-N 3.47Å; R238-V242 VanDerWaalsContact O-N 3.07Å; R238-D354 VanDerWaalsContact CZ-CG 3.4Å; R238-D354 IonicContact CZ-OD1 3.56Å; R238-D354 IonicContact CZ-OD2 3.03Å; R238-D354 IonicContact NE-OD1 3.73Å; R238-D354 IonicContact NE-OD2 2.78Å; R238-D354 PolarHBondContact NE-OD2 3.48Å; R238-D354 VanDerWaalsContact NH2-CB 3.34Å; R238-D354 PolarHBondContact NH2-O 2.96Å; R238-D354 IonicContact NH2-OD1 2.67Å; R238-D354 PolarHBondContact NH2-OD1 2.94Å; R238-D354 IonicContact NH2-OD2 2.84Å; R238-D354 PolarHBondContact NH2-OD2 2.92Å; R238-N356 PolarHBondContact NE-O 3.34Å; R238-N356 PolarHBondContact NH1-O 3.27Å; R238-N356 VanDerWaalsContact NH2-C 3.28Å; R238-N356 PolarHBondContact NH2-O 3.29Å; R238-L361 VanDerWaalsContact CD-CD1 3.47Å; R238-L361 HydrophobicContact CG-CD1 3.46Å; R238-L361 VanDerWaalsContact CG-CD1 3.46Å
239Y98.6Very high97.6Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-59.8-48.3174.5-169-81.4000110.9V176 L199 L230 I234 Q235 Q241 V242 F243 F276 M278V176-Y239 VanDerWaalsContact CB-OH 3.29Å; V176-Y239 WeakPolarHBondContact CB-OH 3.48Å; V176-Y239 HydrophobicContact CG1-CE1 4.45Å; L199-Y239 HydrophobicContact CB-CE2 4.24Å; L199-Y239 VanDerWaalsContact CB-OH 3.32Å; L199-Y239 WeakPolarHBondContact CB-OH 3.39Å; L199-Y239 HydrophobicContact CD2-CE1 4.08Å; L199-Y239 HydrophobicContact CD2-CE2 4.41Å; L230-Y239 HydrophobicContact CD1-CD2 3.99Å; L230-Y239 HydrophobicContact CD1-CE2 3.84Å; I234-Y239 HydrophobicContact CD1-CD2 4.1Å; I234-Y239 HydrophobicContact CG2-CD2 3.84Å; Q235-Y239 PolarHBondContact O-N 2.89Å; Y239-Q241 VanDerWaalsContact C-N 3.34Å; Y239-Q241 PolarHBondContact O-N 3.3Å; Y239-V242 PolarHBondContact O-N 3.36Å; Y239-F243 WeakPolarHBondContact O-CB 3.42Å; Y239-F243 PolarHBondContact O-N 3.1Å; Y239-F276 HydrophobicContact CE2-CD2 4.24Å; Y239-F276 AromaticContact CE2-CE2 3.94Å; Y239-F276 HydrophobicContact CE2-CE2 3.94Å; Y239-M278 WeakPolarHBondContact CB-SD 3.29Å; Y239-M278 HydrophobicContact CD1-CE 3.63Å; Y239-M278 HydrophobicContact CD1-SD 4.46Å; Y239-M278 HydrophobicContact CD2-CE 4.08Å; Y239-M278 HydrophobicContact CD2-SD 3.89Å; Y239-M278 HydrophobicContact CE1-CE 4.37Å; Y239-M278 HydrophobicContact CG-CE 3.46Å; Y239-M278 VanDerWaalsContact CG-CE 3.46Å; Y239-M278 HydrophobicContact CG-SD 3.69Å
240F98.6Very high97.5Very high54 Ų5437 Ų3724%0.23718%0.181CC..Hα-helixtrans-65.2-35.9178.6-176.9-119.5000112.8D236 F243 T244 K285 N289D236-F240 VanDerWaalsContact O-CB 3.23Å; D236-F240 WeakPolarHBondContact O-CB 3.2Å; D236-F240 PolarHBondContact O-N 3.25Å; F240-F243 PolarHBondContact O-N 3.24Å; F240-T244 HydrophobicContact CD1-CG2 4.24Å; F240-T244 HydrophobicContact CD2-CG2 3.72Å; F240-T244 HydrophobicContact CE1-CG2 3.82Å; F240-T244 HydrophobicContact CE2-CG2 3.23Å; F240-T244 HydrophobicContact CG-CG2 4.21Å; F240-T244 HydrophobicContact CZ-CG2 3.31Å; F240-T244 WeakPolarHBondContact O-CB 3.48Å; F240-T244 VanDerWaalsContact O-CG2 3.31Å; F240-T244 WeakPolarHBondContact O-CG2 3.41Å; F240-T244 PolarHBondContact O-N 3.2Å; F240-T244 PolarHBondContact O-OG1 2.94Å; F240-K285 HydrophobicContact CB-CD 4.4Å; F240-K285 HydrophobicContact CD1-CB 4.15Å; F240-K285 HydrophobicContact CD1-CD 3.95Å; F240-K285 HydrophobicContact CD2-CB 3.49Å; F240-K285 VanDerWaalsContact CD2-CB 3.49Å; F240-K285 HydrophobicContact CE1-CB 4.21Å; F240-K285 HydrophobicContact CE1-CD 4.37Å; F240-K285 HydrophobicContact CE2-CB 3.58Å; F240-K285 WeakPolarHBondContact CE2-O 3.24Å; F240-K285 HydrophobicContact CG-CB 3.79Å; F240-K285 HydrophobicContact CG-CD 4.08Å; F240-K285 HydrophobicContact CZ-CB 3.93Å; F240-N289 HydrophobicContact CE2-CB 4.06Å
241Q97.8Very high97.4Very high124 Ų12440.2 Ų40.258%0.57919%0.193SC*.Hα-helixtrans-61.2-45.3173.9-177.3-175.94.100111.7D237 R238 Y239 T244 S245D237-Q241 VanDerWaalsContact O-CB 3.31Å; D237-Q241 WeakPolarHBondContact O-CB 3.41Å; D237-Q241 PolarHBondContact O-N 3.2Å; R238-Q241 PolarHBondContact O-N 3.47Å; Y239-Q241 VanDerWaalsContact C-N 3.34Å; Y239-Q241 PolarHBondContact O-N 3.3Å; Q241-T244 PolarHBondContact O-OG1 3.41Å; Q241-S245 WeakPolarHBondContact O-CB 3.21Å; Q241-S245 PolarHBondContact O-N 3.15Å; Q241-S245 VanDerWaalsContact O-N 3.11Å; Q241-S245 PolarHBondContact O-OG 3.04Å
242V97.6Very high97.2Very high2 Ų241.5 Ų41.51%0.01221%0.208CC..Hα-helixtrans-64.6-50.5176.9175.70000110L199 I228 R238 Y239 T244 S245 V246 L361 I365L199-V242 HydrophobicContact CD2-CG1 4.43Å; I228-V242 HydrophobicContact CG2-CG1 3.56Å; R238-V242 WeakPolarHBondContact O-CG2 3.45Å; R238-V242 PolarHBondContact O-N 3.47Å; R238-V242 VanDerWaalsContact O-N 3.07Å; Y239-V242 PolarHBondContact O-N 3.36Å; V242-T244 PolarHBondContact O-N 3.35Å; V242-S245 PolarHBondContact O-N 3.09Å; V242-V246 PolarHBondContact O-N 3.03Å; V242-V246 VanDerWaalsContact O-N 3.12Å; V242-L361 HydrophobicContact CG2-CB 4.44Å; V242-L361 HydrophobicContact CG2-CD1 4.05Å; V242-L361 HydrophobicContact CG2-CD2 3.95Å; V242-L361 HydrophobicContact CG2-CG 4.38Å; V242-I365 HydrophobicContact CG1-CG1 4.36Å; V242-I365 HydrophobicContact CG2-CD1 4.23Å
243F98.5Very high97Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-52.1-56.5178.2-176.7-88.8000111.4V174 V176 L199 Y239 F240 S245 V246 M247 M261 C286 N289 V290V174-F243 HydrophobicContact CG1-CE2 3.78Å; V174-F243 HydrophobicContact CG1-CZ 4.14Å; V176-F243 HydrophobicContact CG1-CD2 4.37Å; V176-F243 HydrophobicContact CG1-CE2 4.01Å; L199-F243 HydrophobicContact CD1-CD2 3.81Å; L199-F243 HydrophobicContact CD1-CE2 4.26Å; L199-F243 HydrophobicContact CD2-CB 4.06Å; L199-F243 HydrophobicContact CD2-CD2 4.04Å; Y239-F243 WeakPolarHBondContact O-CB 3.42Å; Y239-F243 PolarHBondContact O-N 3.1Å; F240-F243 PolarHBondContact O-N 3.24Å; F243-S245 VanDerWaalsContact C-N 3.3Å; F243-S245 PolarHBondContact O-N 2.84Å; F243-V246 PolarHBondContact O-N 3.02Å; F243-M247 HydrophobicContact CD1-CB 4.44Å; F243-M247 HydrophobicContact CD1-CG 3.8Å; F243-M247 HydrophobicContact CD2-CG 4.17Å; F243-M247 HydrophobicContact CE1-CB 4.24Å; F243-M247 HydrophobicContact CE1-CG 3.56Å; F243-M247 HydrophobicContact CE2-CG 3.95Å; F243-M247 HydrophobicContact CE2-SD 4.46Å; F243-M247 HydrophobicContact CG-CG 4.1Å; F243-M247 HydrophobicContact CZ-CE 4.27Å; F243-M247 HydrophobicContact CZ-CG 3.64Å; F243-M247 HydrophobicContact CZ-SD 4.37Å; F243-M247 WeakPolarHBondContact O-CB 3.25Å; F243-M247 WeakPolarHBondContact O-CG 3.47Å; F243-M247 PolarHBondContact O-N 2.87Å; F243-M261 HydrophobicContact CE2-CE 4.26Å; F243-M261 HydrophobicContact CZ-CE 4.1Å; F243-C286 HydrophobicContact CD1-CB 3.83Å; F243-C286 HydrophobicContact CD2-CB 3.98Å; F243-C286 HydrophobicContact CE1-CB 3.73Å; F243-C286 WeakPolarHBondContact CE1-O 3.47Å; F243-C286 HydrophobicContact CE2-CB 3.88Å; F243-C286 HydrophobicContact CG-CB 3.96Å; F243-C286 HydrophobicContact CZ-CB 3.75Å; F243-N289 HydrophobicContact CE1-CB 4.09Å; F243-V290 HydrophobicContact CE1-CG2 4.31Å; F243-V290 HydrophobicContact CZ-CG2 3.88Å
244T97.6Very high97Very high21 Ų2143.9 Ų43.913%0.12922%0.218CC..Hα-helixtrans-62.1-37-178.6510000113F240 Q241 V242 V246 Q248F240-T244 HydrophobicContact CD1-CG2 4.24Å; F240-T244 HydrophobicContact CD2-CG2 3.72Å; F240-T244 HydrophobicContact CE1-CG2 3.82Å; F240-T244 HydrophobicContact CE2-CG2 3.23Å; F240-T244 HydrophobicContact CG-CG2 4.21Å; F240-T244 HydrophobicContact CZ-CG2 3.31Å; F240-T244 WeakPolarHBondContact O-CB 3.48Å; F240-T244 VanDerWaalsContact O-CG2 3.31Å; F240-T244 WeakPolarHBondContact O-CG2 3.41Å; F240-T244 PolarHBondContact O-N 3.2Å; F240-T244 PolarHBondContact O-OG1 2.94Å; Q241-T244 PolarHBondContact O-OG1 3.41Å; V242-T244 PolarHBondContact O-N 3.35Å; T244-V246 VanDerWaalsContact C-N 3.31Å; T244-V246 PolarHBondContact O-N 3.48Å; T244-Q248 WeakPolarHBondContact O-CB 3.2Å; T244-Q248 WeakPolarHBondContact O-CG 3.49Å; T244-Q248 PolarHBondContact O-N 3.11Å; T244-Q248 VanDerWaalsContact O-N 3.14Å
245S95.6Very high96.9Very high27 Ų2747.9 Ų47.919%0.18924%0.239CC..Hα-helixtrans-63.4-36.9178.6-63.50000112.7Q241 V242 F243 K369Q241-S245 WeakPolarHBondContact O-CB 3.21Å; Q241-S245 PolarHBondContact O-N 3.15Å; Q241-S245 VanDerWaalsContact O-N 3.11Å; Q241-S245 PolarHBondContact O-OG 3.04Å; V242-S245 PolarHBondContact O-N 3.09Å; F243-S245 VanDerWaalsContact C-N 3.3Å; F243-S245 PolarHBondContact O-N 2.84Å; S245-K369 WeakPolarHBondContact O-CE 3.37Å; S245-K369 PolarHBondContact O-NZ 3.48Å
246V96.3Very high96.9Very high1 Ų144.1 Ų44.11%0.00622%0.222CC..Hα-helixtrans-80.4-47.2177.6172.80000110.9V197 V226 I228 V242 F243 T244 Q248 E249 V250 V368V197-V246 HydrophobicContact CG1-CG1 4.33Å; V226-V246 HydrophobicContact CG1-CG1 4Å; I228-V246 HydrophobicContact CD1-CG1 4.26Å; I228-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 PolarHBondContact O-N 3.03Å; V242-V246 VanDerWaalsContact O-N 3.12Å; F243-V246 PolarHBondContact O-N 3.02Å; T244-V246 VanDerWaalsContact C-N 3.31Å; T244-V246 PolarHBondContact O-N 3.48Å; V246-Q248 VanDerWaalsContact C-N 3.26Å; V246-Q248 PolarHBondContact O-N 2.87Å; V246-E249 WeakPolarHBondContact O-CB 3.4Å; V246-E249 PolarHBondContact O-N 3.5Å; V246-V250 HydrophobicContact CG1-CG2 4.02Å; V246-V250 PolarHBondContact O-N 3.38Å; V246-V368 HydrophobicContact CG1-CG1 4.06Å; V246-V368 HydrophobicContact CG2-CG1 4.28Å
247M97.6Very high97Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-65.9-27-173.5-67.3-54.9-73.300113.6L172 V174 V197 F243 V250 R251 V290 W293L172-M247 HydrophobicContact CD2-CE 3.87Å; V174-M247 HydrophobicContact CG1-CE 4.25Å; V174-M247 HydrophobicContact CG2-CE 3.65Å; V197-M247 HydrophobicContact CG1-SD 4Å; V197-M247 HydrophobicContact CG2-SD 4.49Å; F243-M247 HydrophobicContact CD1-CB 4.44Å; F243-M247 HydrophobicContact CD1-CG 3.8Å; F243-M247 HydrophobicContact CD2-CG 4.17Å; F243-M247 HydrophobicContact CE1-CB 4.24Å; F243-M247 HydrophobicContact CE1-CG 3.56Å; F243-M247 HydrophobicContact CE2-CG 3.95Å; F243-M247 HydrophobicContact CE2-SD 4.46Å; F243-M247 HydrophobicContact CG-CG 4.1Å; F243-M247 HydrophobicContact CZ-CE 4.27Å; F243-M247 HydrophobicContact CZ-CG 3.64Å; F243-M247 HydrophobicContact CZ-SD 4.37Å; F243-M247 WeakPolarHBondContact O-CB 3.25Å; F243-M247 WeakPolarHBondContact O-CG 3.47Å; F243-M247 PolarHBondContact O-N 2.87Å; M247-V250 HydrophobicContact CE-CG1 4.48Å; M247-V250 HydrophobicContact SD-CB 4.42Å; M247-V250 HydrophobicContact SD-CG1 4.5Å; M247-V250 HydrophobicContact SD-CG2 4.43Å; M247-R251 VanDerWaalsContact O-CB 3.3Å; M247-R251 WeakPolarHBondContact O-CB 3.33Å; M247-R251 PolarHBondContact O-N 3.35Å; M247-V290 HydrophobicContact CE-CG2 4.21Å; M247-W293 HydrophobicContact CB-CH2 4.33Å; M247-W293 HydrophobicContact CB-CZ2 4.37Å; M247-W293 HydrophobicContact CE-CH2 3.47Å; M247-W293 VanDerWaalsContact CE-CH2 3.47Å; M247-W293 HydrophobicContact CE-CZ2 4.49Å; M247-W293 HydrophobicContact CE-CZ3 4.01Å
248Q95.1Very high97Very high120 Ų12040.4 Ų40.456%0.56120%0.2SC*.Hα-helixtrans-60.3-44170.1-78.3172.5-2.100112.2T244 V246 S252T244-Q248 WeakPolarHBondContact O-CB 3.2Å; T244-Q248 WeakPolarHBondContact O-CG 3.49Å; T244-Q248 PolarHBondContact O-N 3.11Å; T244-Q248 VanDerWaalsContact O-N 3.14Å; V246-Q248 VanDerWaalsContact C-N 3.26Å; V246-Q248 PolarHBondContact O-N 2.87Å; Q248-S252 WeakPolarHBondContact O-CB 3.35Å; Q248-S252 PolarHBondContact O-N 3.49Å; Q248-S252 VanDerWaalsContact O-N 3.08Å
249E94.7Very high97.1Very high54 Ų5437.7 Ų37.725%0.25219%0.19SC..Hα-helixtrans-72.1-45.7179.1-53.5-65164.800110.6V246 R251 S252 Q253 K369V246-E249 WeakPolarHBondContact O-CB 3.4Å; V246-E249 PolarHBondContact O-N 3.5Å; E249-R251 VanDerWaalsContact C-N 3.29Å; E249-R251 PolarHBondContact O-N 3.04Å; E249-S252 PolarHBondContact O-N 3.41Å; E249-S252 VanDerWaalsContact O-N 3.13Å; E249-Q253 WeakPolarHBondContact O-CB 3.49Å; E249-Q253 VanDerWaalsContact O-CG 3.23Å; E249-Q253 WeakPolarHBondContact O-CG 3.23Å; E249-Q253 PolarHBondContact O-N 2.87Å; E249-K369 HydrophobicContact CG-CD 4.13Å; E249-K369 HydrophobicContact CG-CG 3.99Å; E249-K369 WeakPolarHBondContact OE1-CE 3.39Å; E249-K369 IonicContact OE1-NZ 2.7Å; E249-K369 PolarHBondContact OE1-NZ 2.79Å
250V96.6Very high97.1Very high8 Ų837.7 Ų37.75%0.04819%0.19CC..Hα-helixtrans-52.4-49.5175166.10000110.4L172 M195 V197 V246 M247 S252 Q253 F254L172-V250 HydrophobicContact CD1-CG1 3.65Å; L172-V250 HydrophobicContact CD2-CG1 3.91Å; L172-V250 HydrophobicContact CG-CG1 4.45Å; M195-V250 HydrophobicContact SD-CB 4.36Å; M195-V250 HydrophobicContact SD-CG1 3.73Å; M195-V250 HydrophobicContact SD-CG2 4.16Å; V197-V250 HydrophobicContact CG2-CG1 4.18Å; V197-V250 HydrophobicContact CG2-CG2 3.89Å; V246-V250 HydrophobicContact CG1-CG2 4.02Å; V246-V250 PolarHBondContact O-N 3.38Å; M247-V250 HydrophobicContact CE-CG1 4.48Å; M247-V250 HydrophobicContact SD-CB 4.42Å; M247-V250 HydrophobicContact SD-CG1 4.5Å; M247-V250 HydrophobicContact SD-CG2 4.43Å; V250-S252 PolarHBondContact O-N 2.86Å; V250-Q253 PolarHBondContact O-N 3.07Å; V250-F254 WeakPolarHBondContact O-CB 3.17Å; V250-F254 PolarHBondContact O-N 3.02Å
251R95.8Very high97.2Very high68 Ų6835.1 Ų35.126%0.25718%0.179SC..Hα-helixtrans-61.6-46.5178.4178.156.3-179.3164.20.9112.1M247 E249 Q253 N255 P256 W293M247-R251 VanDerWaalsContact O-CB 3.3Å; M247-R251 WeakPolarHBondContact O-CB 3.33Å; M247-R251 PolarHBondContact O-N 3.35Å; E249-R251 VanDerWaalsContact C-N 3.29Å; E249-R251 PolarHBondContact O-N 3.04Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.3Å; R251-N255 WeakPolarHBondContact O-CA 3.28Å; R251-N255 PolarHBondContact O-N 3.24Å; R251-P256 PolarHBondContact NH1-O 3.37Å; R251-W293 HydrophobicContact CB-CH2 3.98Å; R251-W293 HydrophobicContact CB-CZ2 3.6Å; R251-W293 HydrophobicContact CG-CD2 4.32Å; R251-W293 HydrophobicContact CG-CZ2 4.04Å
252S94.9Very high97.2Very high86 Ų8629.2 Ų29.260%0.60115%0.151SC*.Hα-helixtrans-63-38.2-178.1-1770000112.2Q248 E249 V250Q248-S252 WeakPolarHBondContact O-CB 3.35Å; Q248-S252 PolarHBondContact O-N 3.49Å; Q248-S252 VanDerWaalsContact O-N 3.08Å; E249-S252 PolarHBondContact O-N 3.41Å; E249-S252 VanDerWaalsContact O-N 3.13Å; V250-S252 PolarHBondContact O-N 2.86Å
253Q93.9Very high97.3Very high76 Ų7629.1 Ų29.136%0.35515%0.15SC..Hα-helixtrans-93.8-45.6-170.3-64.8-60.6-17.400113.2E249 V250 R251 F373 W375E249-Q253 WeakPolarHBondContact O-CB 3.49Å; E249-Q253 VanDerWaalsContact O-CG 3.23Å; E249-Q253 WeakPolarHBondContact O-CG 3.23Å; E249-Q253 PolarHBondContact O-N 2.87Å; V250-Q253 PolarHBondContact O-N 3.07Å; R251-Q253 VanDerWaalsContact C-N 3.3Å; R251-Q253 PolarHBondContact O-N 3.3Å; Q253-F373 HydrophobicContact CG-CB 4.45Å; Q253-W375 HydrophobicContact CB-CZ2 4.43Å
254F97.7Very high97.3Very high5 Ų529.1 Ų29.12%0.02215%0.151CC..Hα-helixtrans-83-29-176-172.2-122.6000112.5R170 V171 L172 S192 M195 Y224 V250 P256R170-F254 HydrophobicContact CB-CE1 3.95Å; R170-F254 HydrophobicContact CB-CE2 4.18Å; R170-F254 HydrophobicContact CB-CZ 3.69Å; R170-F254 WeakPolarHBondContact CD-O 3.38Å; R170-F254 HydrophobicContact CG-CE2 4.12Å; R170-F254 HydrophobicContact CG-CZ 4.1Å; R170-F254 PolarHBondContact NE-O 3Å; V171-F254 WeakPolarHBondContact O-CE1 3.48Å; L172-F254 HydrophobicContact CB-CD1 4.21Å; L172-F254 HydrophobicContact CB-CE1 4.09Å; L172-F254 HydrophobicContact CD1-CD1 4.43Å; S192-F254 WeakPolarHBondContact O-CE2 3.29Å; M195-F254 HydrophobicContact CB-CD1 3.75Å; M195-F254 HydrophobicContact CB-CD2 3.89Å; M195-F254 HydrophobicContact CB-CE1 3.63Å; M195-F254 HydrophobicContact CB-CE2 3.76Å; M195-F254 HydrophobicContact CB-CG 3.88Å; M195-F254 HydrophobicContact CB-CZ 3.63Å; M195-F254 HydrophobicContact CE-CB 3.62Å; M195-F254 HydrophobicContact CE-CD2 3.65Å; M195-F254 HydrophobicContact CE-CE2 4.48Å; M195-F254 HydrophobicContact CE-CG 3.73Å; M195-F254 HydrophobicContact SD-CB 3.77Å; M195-F254 HydrophobicContact SD-CD1 4.29Å; M195-F254 HydrophobicContact SD-CD2 4.33Å; M195-F254 HydrophobicContact SD-CG 3.89Å; Y224-F254 AromaticContact CD1-CD2 3.81Å; Y224-F254 HydrophobicContact CD1-CD2 3.81Å; Y224-F254 AromaticContact CD1-CE2 3.67Å; Y224-F254 HydrophobicContact CD1-CE2 3.67Å; Y224-F254 AromaticContact CE1-CD2 3.67Å; Y224-F254 HydrophobicContact CE1-CD2 3.67Å; Y224-F254 AromaticContact CE1-CE2 3.72Å; Y224-F254 HydrophobicContact CE1-CE2 3.72Å; V250-F254 WeakPolarHBondContact O-CB 3.17Å; V250-F254 PolarHBondContact O-N 3.02Å; F254-P256 HydrophobicContact CD1-CB 3.84Å; F254-P256 HydrophobicContact CD1-CG 4.26Å; F254-P256 HydrophobicContact CE1-CB 4.02Å
255N97.8Very high97.3Very high84 Ų8428.1 Ų28.145%0.44915%0.145SC..  trans43.964-177-174.435.8000112.6R170 R251R170-N255 PolarHBondContact NE-O 2.85Å; R170-N255 PolarHBondContact NH2-O 3.32Å; R251-N255 WeakPolarHBondContact O-CA 3.28Å; R251-N255 PolarHBondContact O-N 3.24Å
256P98.6Very high97.5Very high2 Ų226.9 Ų26.91%0.01314%0.136CC..  trans-64.8155.4-176.525.6-34.5000112.7L172 R251 F254 L295L172-P256 HydrophobicContact CB-CB 3.68Å; L172-P256 HydrophobicContact CB-CG 4.02Å; L172-P256 HydrophobicContact CD2-CG 4.11Å; R251-P256 PolarHBondContact NH1-O 3.37Å; F254-P256 HydrophobicContact CD1-CB 3.84Å; F254-P256 HydrophobicContact CD1-CG 4.26Å; F254-P256 HydrophobicContact CE1-CB 4.02Å; P256-L295 HydrophobicContact CB-CD1 4.23Å; P256-L295 HydrophobicContact CG-CD1 3.94Å; P256-L295 VanDerWaalsContact O-CD1 3.27Å; P256-L295 WeakPolarHBondContact O-CD1 3.39Å
257E98.8Very high97.6Very high59 Ų5926.9 Ų26.928%0.27614%0.136SC..SBendtrans-106.4-21.5178-68.7169.3-160.200112.7H168 E169 R170 P296H168-E257 WeakPolarHBondContact CA-OE2 3.4Å; H168-E257 HydrophobicContact CB-CB 4.01Å; E169-E257 PolarHBondContact N-OE2 3.17Å; R170-E257 IonicContact CZ-OE1 3.79Å; R170-E257 VanDerWaalsContact CZ-OE1 3.28Å; R170-E257 IonicContact NH1-OE1 3.75Å; R170-E257 PolarHBondContact NH1-OE1 2.9Å; R170-E257 VanDerWaalsContact NH1-OE1 3.08Å; R170-E257 IonicContact NH2-OE1 3.37Å; R170-E257 PolarHBondContact NH2-OE1 2.93Å; R170-E257 PolarHBondContact O-N 2.68Å; E257-P296 WeakPolarHBondContact O-CD 3.4Å
258A98.9Very high97.6Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-148.1158.7169.800000109.9L164 H168 V171 L172 P296L164-A258 HydrophobicContact CD1-CB 4.46Å; L164-A258 HydrophobicContact CD2-CB 4.48Å; H168-A258 HydrophobicContact CB-CB 4.18Å; V171-A258 HydrophobicContact CG2-CB 4.49Å; L172-A258 PolarHBondContact N-O 3.48Å; A258-P296 WeakPolarHBondContact CA-O 3.31Å; A258-P296 HydrophobicContact CB-CB 4.36Å
259V98.9Very high97.8Very high0 Ų021.4 Ų21.40%011%0.111CC..EExtended strand (participates in β ladder)trans-125.8137178.8-174.20000110.1L172 V174 M261 V290 W293 L295 P296 T297 L298L172-V259 HydrophobicContact CB-CG2 4.41Å; L172-V259 HydrophobicContact CD2-CG2 4.41Å; L172-V259 CarbonylContact O-C 3.51Å; L172-V259 VanDerWaalsContact O-CA 3.31Å; L172-V259 WeakPolarHBondContact O-CA 3.31Å; V174-V259 HydrophobicContact CG2-CG1 4.03Å; V259-M261 HydrophobicContact CG1-CB 4.5Å; V259-V290 HydrophobicContact CB-CG1 4.26Å; V259-V290 HydrophobicContact CG1-CG1 3.82Å; V259-V290 HydrophobicContact CG2-CG1 4.18Å; V259-W293 HydrophobicContact CG2-CE3 4.4Å; V259-L295 HydrophobicContact CG2-CB 4.43Å; V259-L295 HydrophobicContact CG2-CD1 3.96Å; V259-P296 PolarHBondContact N-O 3.1Å; V259-T297 HydrophobicContact CB-CG2 4.32Å; V259-T297 CarbonylContact O-C 3.57Å; V259-T297 VanDerWaalsContact O-CA 3.29Å; V259-T297 WeakPolarHBondContact O-CA 3.43Å; V259-L298 PolarHBondContact O-N 3.43Å
260L98.9Very high97.9Very high0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-111123159.7-168155.1000107.3A157 I161 L172 Y173 V174 L298 L300A157-L260 HydrophobicContact CB-CD2 4.33Å; I161-L260 HydrophobicContact CG1-CB 4.24Å; I161-L260 HydrophobicContact CG1-CD1 3.99Å; L172-L260 PolarHBondContact O-N 2.86Å; Y173-L260 CarbonylContact C-O 3.53Å; Y173-L260 WeakPolarHBondContact CA-O 3.29Å; Y173-L260 HydrophobicContact CD2-CB 4.29Å; Y173-L260 HydrophobicContact CD2-CD2 3.51Å; Y173-L260 HydrophobicContact CD2-CG 4.44Å; Y173-L260 HydrophobicContact CE2-CD2 3.46Å; Y173-L260 VanDerWaalsContact CE2-CD2 3.46Å; V174-L260 PolarHBondContact N-O 3.23Å; L260-L298 CarbonylContact C-O 3.55Å; L260-L298 WeakPolarHBondContact CA-O 3.21Å; L260-L298 HydrophobicContact CB-CB 4.5Å; L260-L298 HydrophobicContact CD1-CB 4.46Å; L260-L298 HydrophobicContact CD1-CD1 4.46Å; L260-L298 HydrophobicContact CD1-CD2 3.83Å; L260-L298 HydrophobicContact CD1-CG 4.48Å; L260-L298 HydrophobicContact CG-CB 4.16Å; L260-L298 HydrophobicContact CG-CD2 3.86Å; L260-L300 HydrophobicContact CD1-CD1 4.18Å; L260-L300 HydrophobicContact CD2-CD1 3.69Å; L260-L300 HydrophobicContact CD2-CG 4.09Å; L260-L300 HydrophobicContact CG-CD1 4.34Å
261M98.9Very high98Very high0 Ų021.1 Ų21.10%012%0.122CC..EExtended strand (participates in β ladder)trans-118.4115.3179.1-172.1169.5-171.100109.8V174 V176 F243 V259 L263 C286 L287 V290 L298 L299 L300V174-M261 HydrophobicContact CB-CB 4.41Å; V174-M261 HydrophobicContact CB-CG 4.09Å; V174-M261 HydrophobicContact CG1-CE 4.22Å; V174-M261 HydrophobicContact CG1-CG 4.37Å; V174-M261 CarbonylContact O-C 3.57Å; V174-M261 VanDerWaalsContact O-CA 3.28Å; V174-M261 WeakPolarHBondContact O-CA 3.22Å; V176-M261 HydrophobicContact CG1-CE 3.97Å; V176-M261 HydrophobicContact CG2-CE 4.43Å; F243-M261 HydrophobicContact CE2-CE 4.26Å; F243-M261 HydrophobicContact CZ-CE 4.1Å; V259-M261 HydrophobicContact CG1-CB 4.5Å; M261-L263 HydrophobicContact CE-CD2 3.66Å; M261-L263 HydrophobicContact CG-CD2 3.88Å; M261-L263 HydrophobicContact CG-CG 4.09Å; M261-L263 HydrophobicContact SD-CD2 3.96Å; M261-C286 HydrophobicContact CE-CB 4.21Å; M261-L287 HydrophobicContact SD-CD1 3.89Å; M261-V290 HydrophobicContact CE-CG2 4.49Å; M261-V290 HydrophobicContact SD-CB 4.28Å; M261-V290 HydrophobicContact SD-CG2 4.02Å; M261-L298 PolarHBondContact N-O 2.87Å; M261-L299 HydrophobicContact CB-CD2 3.88Å; M261-L299 WeakPolarHBondContact O-CA 3.42Å; M261-L300 PolarHBondContact O-N 2.87Å
262Q98.9Very high98.1Very high0 Ų022.2 Ų22.20%014%0.138CC..EExtended strand (participates in β ladder)trans-83.2133.7170.3-166.5-811500107.7Y173 V174 D175 V176 D177 G301 G302Y173-Q262 HydrophobicContact CE2-CB 4.02Å; Y173-Q262 WeakPolarHBondContact OH-CB 2.8Å; V174-Q262 PolarHBondContact O-N 3.44Å; D175-Q262 PolarHBondContact OD1-OE1 2.92Å; V176-Q262 VanDerWaalsContact CG2-O 3.31Å; V176-Q262 WeakPolarHBondContact CG2-O 3.27Å; V176-Q262 PolarHBondContact N-O 2.89Å; D177-Q262 PolarHBondContact OD2-NE2 2.75Å; Q262-G301 VanDerWaalsContact CD-O 3.22Å; Q262-G301 WeakPolarHBondContact CG-O 3.24Å; Q262-G301 PolarHBondContact NE2-O 3.42Å; Q262-G302 VanDerWaalsContact NE2-CA 3.31Å
263L98.9Very high98.1Very high0 Ų021 Ų210%012%0.124CC..  trans-127.650.2-171.5-64.2163.1000111.2W136 V176 M261 A265 V283 L287 L299 L300 G301 W314 L317W136-L263 HydrophobicContact CH2-CD1 3.6Å; W136-L263 HydrophobicContact CZ3-CB 4.07Å; W136-L263 HydrophobicContact CZ3-CD1 3.6Å; W136-L263 HydrophobicContact CZ3-CG 4.45Å; V176-L263 HydrophobicContact CG2-CD2 3.78Å; M261-L263 HydrophobicContact CE-CD2 3.66Å; M261-L263 HydrophobicContact CG-CD2 3.88Å; M261-L263 HydrophobicContact CG-CG 4.09Å; M261-L263 HydrophobicContact SD-CD2 3.96Å; L263-A265 PolarHBondContact O-N 3.43Å; L263-V283 HydrophobicContact CD2-CG1 3.77Å; L263-L287 HydrophobicContact CD1-CD1 4.46Å; L263-L287 HydrophobicContact CD1-CD2 4.49Å; L263-L299 HydrophobicContact CD1-CB 4.21Å; L263-L299 HydrophobicContact CD1-CD1 4.44Å; L263-L299 HydrophobicContact CD1-CD2 4.08Å; L263-L299 HydrophobicContact CD1-CG 4.47Å; L263-L300 WeakPolarHBondContact CB-O 3.37Å; L263-L300 PolarHBondContact N-O 3.12Å; L263-G301 CarbonylContact C-O 3.45Å; L263-G301 PolarHBondContact N-O 3.16Å; L263-W314 PolarHBondContact O-NE1 2.91Å; L263-L317 HydrophobicContact CB-CD1 4.26Å; L263-L317 HydrophobicContact CD1-CD1 4.2Å; L263-L317 HydrophobicContact CD2-CD1 4.41Å
264G98.8Very high98.2Very high1 Ų121.4 Ų21.41%0.0113%0.134CC..  trans-48.3129.1175.500000112.1D177 G301D177-G264 WeakPolarHBondContact OD2-CA 3.21Å; G264-G301 PolarHBondContact N-O 2.78Å
265A98.8Very high98.2Very high0 Ų021.4 Ų21.40%013%0.134CC..SBendtrans-95.24.7-175.700000113.2L263 T267 M268 G303 T310 C313 W314L263-A265 PolarHBondContact O-N 3.43Å; A265-T267 PolarHBondContact O-N 2.97Å; A265-M268 HydrophobicContact CB-CG 4.28Å; A265-M268 VanDerWaalsContact O-CB 3.24Å; A265-M268 WeakPolarHBondContact O-CB 3.37Å; A265-M268 WeakPolarHBondContact O-CG 3.37Å; A265-M268 PolarHBondContact O-N 3.49Å; A265-M268 VanDerWaalsContact O-N 3.16Å; A265-G303 PolarHBondContact N-O 3.04Å; A265-T310 HydrophobicContact CB-CG2 3.79Å; A265-C313 HydrophobicContact CB-CB 4.21Å; A265-W314 HydrophobicContact CB-CZ2 4.41Å
266D98.6Very high98.3Very high1 Ų117.4 Ų17.41%0.00511%0.113CC..THydrogen-bonded Turntrans-75.9-4.8175.254.52.5000113.8D177 L178 H179 M268 M273 Y305D177-D266 VanDerWaalsContact OD1-OD2 3.1Å; L178-D266 HydrophobicContact CB-CB 4.23Å; L178-D266 VanDerWaalsContact CB-CG 3.45Å; L178-D266 WeakPolarHBondContact CB-OD1 3.21Å; L178-D266 PolarHBondContact N-OD1 2.91Å; H179-D266 IonicContact CE1-OD2 3.65Å; H179-D266 PolarHBondContact CE1-OD2 3.28Å; H179-D266 IonicContact ND1-OD2 3.02Å; H179-D266 PolarHBondContact ND1-OD2 3.34Å; D266-M268 VanDerWaalsContact C-N 3.26Å; D266-M273 HydrophobicContact CB-CG 4.35Å; D266-Y305 HydrophobicContact CB-CD2 3.81Å; D266-Y305 HydrophobicContact CB-CE2 3.65Å; D266-Y305 WeakPolarHBondContact OD2-CE2 3.32Å
267T98.6Very high98.3Very high0 Ų017.3 Ų17.30%011%0.113CC..THydrogen-bonded Turntrans-73.4-18.1165.4590000113.3V176 L178 A265 F276 M278V176-T267 VanDerWaalsContact O-CG2 3.25Å; V176-T267 WeakPolarHBondContact O-CG2 3.36Å; L178-T267 HydrophobicContact CB-CG2 3.99Å; A265-T267 PolarHBondContact O-N 2.97Å; T267-F276 HydrophobicContact CG2-CD2 3.61Å; T267-F276 HydrophobicContact CG2-CE2 4.13Å; T267-F276 CarbonylContact O-C 3.5Å; T267-F276 WeakPolarHBondContact O-CB 3.39Å; T267-M278 WeakPolarHBondContact O-CB 3.48Å; T267-M278 PolarHBondContact O-N 3.16Å
268M98.6Very high98.3Very high2 Ų214.5 Ų14.51%0.0110%0.099CC..BIsolated β-bridgetrans-65.4143.3-174.6-64.4-61.2106.600112.3A265 D266 G270 D271 M278 P280 V283 C313 I347A265-M268 HydrophobicContact CB-CG 4.28Å; A265-M268 VanDerWaalsContact O-CB 3.24Å; A265-M268 WeakPolarHBondContact O-CB 3.37Å; A265-M268 WeakPolarHBondContact O-CG 3.37Å; A265-M268 PolarHBondContact O-N 3.49Å; A265-M268 VanDerWaalsContact O-N 3.16Å; D266-M268 VanDerWaalsContact C-N 3.26Å; M268-G270 PolarHBondContact O-N 3.34Å; M268-D271 WeakPolarHBondContact O-CB 3.24Å; M268-D271 PolarHBondContact O-N 2.9Å; M268-D271 VanDerWaalsContact O-N 3.16Å; M268-M278 HydrophobicContact CE-CB 3.89Å; M268-P280 HydrophobicContact SD-CG 3.89Å; M268-P280 VanDerWaalsContact SD-N 3.44Å; M268-V283 HydrophobicContact CE-CB 4.46Å; M268-V283 HydrophobicContact CE-CG2 3.47Å; M268-V283 VanDerWaalsContact CE-CG2 3.47Å; M268-C313 HydrophobicContact CG-CB 4.24Å; M268-C313 HydrophobicContact SD-CB 4.24Å; M268-I347 HydrophobicContact CB-CD1 4.36Å; M268-I347 HydrophobicContact CG-CD1 4.33Å; M268-I347 HydrophobicContact SD-CD1 4.34Å
269A98.4Very high98.3Very high3 Ų315 Ų153%0.02510%0.102CC..THydrogen-bonded Turntrans-57.7134.8168.900000110.6N277 M278 N309 I347A269-N277 WeakPolarHBondContact CB-OD1 3.19Å; A269-M278 PolarHBondContact N-O 3.1Å; A269-N309 PolarHBondContact O-ND2 3.06Å; A269-I347 HydrophobicContact CB-CG2 4.09Å; A269-I347 WeakPolarHBondContact O-CG2 3.49Å
270G96.7Very high98.3Very high49 Ų4915.2 Ų15.251%0.50510%0.104SC..THydrogen-bonded Turntrans86.51.6-177.300000114.8M268 N306M268-G270 PolarHBondContact O-N 3.34Å; G270-N306 PolarHBondContact O-ND2 2.7Å
271D98.4Very high98.2Very high8 Ų818.3 Ų18.34%0.04312%0.123CC..  trans-67.1139.7167.6-167.4-85.4000111.5M268 M273 C274 Y305 N306M268-D271 WeakPolarHBondContact O-CB 3.24Å; M268-D271 PolarHBondContact O-N 2.9Å; M268-D271 VanDerWaalsContact O-N 3.16Å; D271-M273 PolarHBondContact O-N 2.8Å; D271-M273 VanDerWaalsContact O-N 3.14Å; D271-M273 VanDerWaalsContact OD1-CB 3.29Å; D271-M273 WeakPolarHBondContact OD1-CB 3.31Å; D271-M273 VanDerWaalsContact OD1-CG 3.26Å; D271-M273 WeakPolarHBondContact OD1-CG 3.45Å; D271-M273 PolarHBondContact OD1-N 3.27Å; D271-C274 PolarHBondContact O-N 3.02Å; D271-Y305 PolarHBondContact OD2-N 3Å; D271-N306 PolarHBondContact OD2-N 3.37Å; D271-N306 VanDerWaalsContact OD2-N 3.13Å
272P97.7Very high98.2Very high90 Ų9018.3 Ų18.358%0.58412%0.123SC*.THydrogen-bonded Turntrans-53-26.7175.2-28.534.1000115.3C274P272-C274 PolarHBondContact O-N 2.89Å
273M96.1Very high98.2Very high62 Ų6218.4 Ų18.431%0.30512%0.123SC..THydrogen-bonded Turntrans-64-18.3174.7-65.8-58.6174.300112.9L178 D266 D271 S275 Y305L178-M273 HydrophobicContact CD2-CB 3.45Å; L178-M273 VanDerWaalsContact CD2-CB 3.45Å; L178-M273 HydrophobicContact CD2-CG 3.98Å; D266-M273 HydrophobicContact CB-CG 4.35Å; D271-M273 PolarHBondContact O-N 2.8Å; D271-M273 VanDerWaalsContact O-N 3.14Å; D271-M273 VanDerWaalsContact OD1-CB 3.29Å; D271-M273 WeakPolarHBondContact OD1-CB 3.31Å; D271-M273 VanDerWaalsContact OD1-CG 3.26Å; D271-M273 WeakPolarHBondContact OD1-CG 3.45Å; D271-M273 PolarHBondContact OD1-N 3.27Å; M273-S275 PolarHBondContact O-N 3.32Å; M273-S275 PolarHBondContact O-OG 3.02Å; M273-Y305 HydrophobicContact CE-CD2 3.62Å; M273-Y305 HydrophobicContact CE-CE1 4.34Å; M273-Y305 HydrophobicContact CE-CE2 3.26Å; M273-Y305 HydrophobicContact CE-CG 4.29Å; M273-Y305 HydrophobicContact CG-CD2 3.76Å; M273-Y305 HydrophobicContact CG-CE2 3.84Å; M273-Y305 HydrophobicContact SD-CE2 4.43Å
274C96.3Very high98.2Very high83 Ų8318.7 Ų18.756%0.56113%0.125SC*.  trans47.241.7168.7-161.30000113.6D271 P272 R352D271-C274 PolarHBondContact O-N 3.02Å; P272-C274 PolarHBondContact O-N 2.89Å; C274-R352 PolarHBondContact O-NH1 2.87Å
275S97.8Very high98.2Very high5 Ų521.9 Ų21.94%0.03514%0.139CC..  trans-112.6-82.9-174.1-66.30000111.4K201 G233 M273 R352K201-S275 WeakPolarHBondContact CD-OG 3.34Å; K201-S275 PolarHBondContact NZ-OG 2.8Å; G233-S275 PolarHBondContact N-O 3.48Å; M273-S275 PolarHBondContact O-N 3.32Å; M273-S275 PolarHBondContact O-OG 3.02Å; S275-R352 PolarHBondContact O-NH1 3Å
276F98.5Very high98.2Very high1 Ų121.9 Ų21.90%0.00414%0.139CC..  trans-73.9165.2176-68.5-3.6000113L178 K201 L230 E231 I234 Y239 T267 M278 R352L178-F276 HydrophobicContact CD1-CB 4.21Å; L178-F276 HydrophobicContact CD1-CD1 3.73Å; L178-F276 HydrophobicContact CD1-CD2 3.71Å; L178-F276 HydrophobicContact CD1-CE1 3.92Å; L178-F276 HydrophobicContact CD1-CE2 3.87Å; L178-F276 HydrophobicContact CD1-CG 3.6Å; L178-F276 HydrophobicContact CD1-CZ 3.96Å; K201-F276 HydrophobicContact CB-CE1 3.83Å; K201-F276 HydrophobicContact CB-CZ 4.04Å; L230-F276 HydrophobicContact CB-CE1 3.97Å; L230-F276 HydrophobicContact CB-CZ 3.67Å; L230-F276 HydrophobicContact CD1-CE2 4.13Å; L230-F276 HydrophobicContact CD1-CZ 3.87Å; L230-F276 HydrophobicContact CG-CZ 4.4Å; E231-F276 WeakPolarHBondContact O-CE1 3.31Å; I234-F276 HydrophobicContact CG2-CB 4.01Å; I234-F276 HydrophobicContact CG2-CD1 3.67Å; I234-F276 HydrophobicContact CG2-CD2 3.75Å; I234-F276 HydrophobicContact CG2-CE1 4.04Å; I234-F276 HydrophobicContact CG2-CE2 4.14Å; I234-F276 HydrophobicContact CG2-CG 3.53Å; I234-F276 HydrophobicContact CG2-CZ 4.28Å; Y239-F276 HydrophobicContact CE2-CD2 4.24Å; Y239-F276 AromaticContact CE2-CE2 3.94Å; Y239-F276 HydrophobicContact CE2-CE2 3.94Å; T267-F276 HydrophobicContact CG2-CD2 3.61Å; T267-F276 HydrophobicContact CG2-CE2 4.13Å; T267-F276 CarbonylContact O-C 3.5Å; T267-F276 WeakPolarHBondContact O-CB 3.39Å; F276-M278 HydrophobicContact CB-CG 4.22Å; F276-R352 PolarHBondContact O-NH2 2.81Å
277N98.5Very high98.2Very high0 Ų021.8 Ų21.80%014%0.139CC..  trans-126.440.6-175.2-160.940.5000111.5I234 Q235 A269 S350 R352I234-N277 CarbonylContact O-C 3.34Å; I234-N277 WeakPolarHBondContact O-CA 3.21Å; I234-N277 PolarHBondContact O-N 2.83Å; Q235-N277 HydrophobicContact CG-CB 4.16Å; Q235-N277 PolarHBondContact NE2-ND2 3.36Å; A269-N277 WeakPolarHBondContact CB-OD1 3.19Å; N277-S350 PolarHBondContact ND2-O 2.66Å; N277-S350 WeakPolarHBondContact OD1-CB 3.47Å; N277-S350 PolarHBondContact OD1-N 2.92Å; N277-S350 PolarHBondContact OD1-OG 2.84Å; N277-R352 PolarHBondContact OD1-NH2 2.91Å
278M98.7Very high98.2Very high0 Ų025.6 Ų25.60%016%0.158CC..BIsolated β-bridgetrans-80.8161.5-175-63.8-66.8-68.500112.1I234 Q235 Y239 T267 M268 A269 F276 V283I234-M278 HydrophobicContact CG2-SD 4.32Å; Q235-M278 VanDerWaalsContact C-SD 3.5Å; Y239-M278 WeakPolarHBondContact CB-SD 3.29Å; Y239-M278 HydrophobicContact CD1-CE 3.63Å; Y239-M278 HydrophobicContact CD1-SD 4.46Å; Y239-M278 HydrophobicContact CD2-CE 4.08Å; Y239-M278 HydrophobicContact CD2-SD 3.89Å; Y239-M278 HydrophobicContact CE1-CE 4.37Å; Y239-M278 HydrophobicContact CG-CE 3.46Å; Y239-M278 VanDerWaalsContact CG-CE 3.46Å; Y239-M278 HydrophobicContact CG-SD 3.69Å; T267-M278 WeakPolarHBondContact O-CB 3.48Å; T267-M278 PolarHBondContact O-N 3.16Å; M268-M278 HydrophobicContact CE-CB 3.89Å; A269-M278 PolarHBondContact N-O 3.1Å; F276-M278 HydrophobicContact CB-CG 4.22Å; M278-V283 HydrophobicContact CE-CG2 4.43Å
279T98.8Very high98.2Very high10 Ų1026.5 Ų26.56%0.06116%0.163CC..  trans-118.8165.6164.686.10000110.2D236 V281 G282 I347 P349D236-T279 PolarHBondContact OD1-N 3.2Å; D236-T279 WeakPolarHBondContact OD2-CB 3.32Å; D236-T279 PolarHBondContact OD2-OG1 3.08Å; T279-V281 PolarHBondContact O-N 2.91Å; T279-V281 VanDerWaalsContact O-N 3.08Å; T279-V281 WeakPolarHBondContact OG1-CB 3.38Å; T279-V281 PolarHBondContact OG1-N 2.85Å; T279-G282 PolarHBondContact O-N 3.49Å; T279-G282 VanDerWaalsContact O-N 3.1Å; T279-I347 VanDerWaalsContact CG2-O 3.25Å; T279-I347 WeakPolarHBondContact CG2-O 3.29Å; T279-P349 HydrophobicContact CG2-CG 3.7Å
280P98.7Very high98.2Very high5 Ų526.4 Ų26.43%0.03216%0.162CC..Hα-helixtrans-57.4-25.1174.9-27.137000113.1M268 V283 A284 C313 F316 I347M268-P280 HydrophobicContact SD-CG 3.89Å; M268-P280 VanDerWaalsContact SD-N 3.44Å; P280-V283 PolarHBondContact O-N 2.88Å; P280-A284 WeakPolarHBondContact O-CB 3.49Å; P280-A284 PolarHBondContact O-N 3.41Å; P280-C313 HydrophobicContact CB-CB 4.43Å; P280-C313 HydrophobicContact CG-CB 4.02Å; P280-F316 HydrophobicContact CB-CB 4.01Å; P280-F316 HydrophobicContact CB-CD1 3.63Å; P280-F316 HydrophobicContact CB-CE1 4.35Å; P280-F316 HydrophobicContact CB-CG 3.94Å; P280-I347 HydrophobicContact CG-CD1 3.86Å; P280-I347 HydrophobicContact CG-CG1 4.31Å
281V98.6Very high98.3Very high65 Ų6524.2 Ų24.239%0.39414%0.139SC..Hα-helixtrans-65.4-42.2177.9-179.30000111.3T279 A284 K285 F316T279-V281 PolarHBondContact O-N 2.91Å; T279-V281 VanDerWaalsContact O-N 3.08Å; T279-V281 WeakPolarHBondContact OG1-CB 3.38Å; T279-V281 PolarHBondContact OG1-N 2.85Å; V281-A284 PolarHBondContact O-N 3.37Å; V281-K285 WeakPolarHBondContact O-CG 3.3Å; V281-K285 PolarHBondContact O-N 3.33Å; V281-F316 HydrophobicContact CG2-CE1 4.28Å; V281-F316 HydrophobicContact CG2-CZ 3.99Å
282G98.6Very high98.2Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-62.7-45.1177.300000112.5D236 T279 K285 C286D236-G282 PolarHBondContact OD2-N 2.74Å; T279-G282 PolarHBondContact O-N 3.49Å; T279-G282 VanDerWaalsContact O-N 3.1Å; G282-K285 WeakPolarHBondContact O-CB 3.5Å; G282-K285 PolarHBondContact O-N 3.23Å; G282-C286 PolarHBondContact O-N 3.18Å; G282-C286 PolarHBondContact O-SG 3.27Å
283V98.5Very high98.2Very high2 Ų226.5 Ų26.51%0.01214%0.14CC..Hα-helixtrans-68.1-38.7177.3179.10000111.2V176 L263 M268 M278 P280 K285 C286 L287 L317V176-V283 HydrophobicContact CG2-CG1 4.2Å; L263-V283 HydrophobicContact CD2-CG1 3.77Å; M268-V283 HydrophobicContact CE-CB 4.46Å; M268-V283 HydrophobicContact CE-CG2 3.47Å; M268-V283 VanDerWaalsContact CE-CG2 3.47Å; M278-V283 HydrophobicContact CE-CG2 4.43Å; P280-V283 PolarHBondContact O-N 2.88Å; V283-K285 VanDerWaalsContact C-N 3.31Å; V283-K285 PolarHBondContact O-N 3.08Å; V283-C286 WeakPolarHBondContact O-CA 3.47Å; V283-C286 WeakPolarHBondContact O-CB 3.19Å; V283-C286 PolarHBondContact O-N 3.45Å; V283-L287 PolarHBondContact O-N 3.36Å; V283-L317 HydrophobicContact CB-CD2 4.34Å; V283-L317 HydrophobicContact CG1-CD1 3.85Å; V283-L317 HydrophobicContact CG1-CD2 4.01Å
284A98.8Very high98.3Very high5 Ų531 Ų314%0.04116%0.16CC..Hα-helixtrans-60.8-38.2174.900000112.7P280 V281 C286 L287 L288 F316 L317 T320P280-A284 WeakPolarHBondContact O-CB 3.49Å; P280-A284 PolarHBondContact O-N 3.41Å; V281-A284 PolarHBondContact O-N 3.37Å; A284-C286 VanDerWaalsContact C-N 3.33Å; A284-C286 PolarHBondContact O-N 3.29Å; A284-L287 PolarHBondContact O-N 2.79Å; A284-L288 WeakPolarHBondContact O-CB 3.47Å; A284-L288 VanDerWaalsContact O-CG 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.4Å; A284-L288 PolarHBondContact O-N 2.78Å; A284-F316 HydrophobicContact CB-CD1 4.07Å; A284-F316 HydrophobicContact CB-CE1 3.56Å; A284-L317 HydrophobicContact CB-CD2 3.78Å; A284-T320 HydrophobicContact CB-CG2 4.06Å
285K98.8Very high98.4Very high68 Ų6828.4 Ų28.430%0.29614%0.141SC..Hα-helixtrans-60.1-43.8172.5-70.1172.7-179.8173.10111D237 F240 V281 G282 V283 L288 N289D237-K285 IonicContact OD1-NZ 3.08Å; D237-K285 PolarHBondContact OD1-NZ 3.23Å; F240-K285 HydrophobicContact CB-CD 4.4Å; F240-K285 HydrophobicContact CD1-CB 4.15Å; F240-K285 HydrophobicContact CD1-CD 3.95Å; F240-K285 HydrophobicContact CD2-CB 3.49Å; F240-K285 VanDerWaalsContact CD2-CB 3.49Å; F240-K285 HydrophobicContact CE1-CB 4.21Å; F240-K285 HydrophobicContact CE1-CD 4.37Å; F240-K285 HydrophobicContact CE2-CB 3.58Å; F240-K285 WeakPolarHBondContact CE2-O 3.24Å; F240-K285 HydrophobicContact CG-CB 3.79Å; F240-K285 HydrophobicContact CG-CD 4.08Å; F240-K285 HydrophobicContact CZ-CB 3.93Å; V281-K285 WeakPolarHBondContact O-CG 3.3Å; V281-K285 PolarHBondContact O-N 3.33Å; G282-K285 WeakPolarHBondContact O-CB 3.5Å; G282-K285 PolarHBondContact O-N 3.23Å; V283-K285 VanDerWaalsContact C-N 3.31Å; V283-K285 PolarHBondContact O-N 3.08Å; K285-L288 PolarHBondContact O-N 3.08Å; K285-N289 WeakPolarHBondContact O-CB 3.08Å; K285-N289 PolarHBondContact O-N 2.81Å
286C98.8Very high98.5Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-62.5-46.8176.5-580000111.5F243 M261 G282 V283 A284 L288 N289 V290F243-C286 HydrophobicContact CD1-CB 3.83Å; F243-C286 HydrophobicContact CD2-CB 3.98Å; F243-C286 HydrophobicContact CE1-CB 3.73Å; F243-C286 WeakPolarHBondContact CE1-O 3.47Å; F243-C286 HydrophobicContact CE2-CB 3.88Å; F243-C286 HydrophobicContact CG-CB 3.96Å; F243-C286 HydrophobicContact CZ-CB 3.75Å; M261-C286 HydrophobicContact CE-CB 4.21Å; G282-C286 PolarHBondContact O-N 3.18Å; G282-C286 PolarHBondContact O-SG 3.27Å; V283-C286 WeakPolarHBondContact O-CA 3.47Å; V283-C286 WeakPolarHBondContact O-CB 3.19Å; V283-C286 PolarHBondContact O-N 3.45Å; A284-C286 VanDerWaalsContact C-N 3.33Å; A284-C286 PolarHBondContact O-N 3.29Å; C286-L288 PolarHBondContact O-N 3.45Å; C286-N289 WeakPolarHBondContact O-CB 3.4Å; C286-N289 PolarHBondContact O-N 3.24Å; C286-V290 PolarHBondContact O-N 3.15Å
287L98.8Very high98.5Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-58.9-48.6176.4176.258.8000111.9M261 L263 V283 A284 N289 V290 L291 L299 L317 V321M261-L287 HydrophobicContact SD-CD1 3.89Å; L263-L287 HydrophobicContact CD1-CD1 4.46Å; L263-L287 HydrophobicContact CD1-CD2 4.49Å; V283-L287 PolarHBondContact O-N 3.36Å; A284-L287 PolarHBondContact O-N 2.79Å; L287-N289 VanDerWaalsContact C-N 3.27Å; L287-N289 PolarHBondContact O-N 2.83Å; L287-V290 PolarHBondContact O-N 2.77Å; L287-V290 VanDerWaalsContact O-N 3.08Å; L287-L291 HydrophobicContact CD1-CD1 3.83Å; L287-L291 HydrophobicContact CD1-CD2 4.37Å; L287-L291 HydrophobicContact CD1-CG 3.85Å; L287-L291 HydrophobicContact CD2-CD1 4.41Å; L287-L291 HydrophobicContact CG-CD1 3.79Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CG 2.97Å; L287-L291 PolarHBondContact O-N 3.14Å; L287-L299 HydrophobicContact CD1-CD1 3.98Å; L287-L299 HydrophobicContact CD1-CD2 3.63Å; L287-L299 HydrophobicContact CD1-CG 4.5Å; L287-L299 HydrophobicContact CD2-CD1 4.4Å; L287-L317 HydrophobicContact CD2-CB 4.19Å; L287-L317 HydrophobicContact CD2-CD2 4.03Å; L287-V321 HydrophobicContact CD2-CG2 3.85Å
288L98.6Very high98.5Very high79 Ų7929.7 Ų29.741%0.41415%0.149SC..Hα-helixtrans-61.8-35.5177.4-73.4172.6000112.3A284 K285 C286 V290 L291 Q292 T320A284-L288 WeakPolarHBondContact O-CB 3.47Å; A284-L288 VanDerWaalsContact O-CG 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.4Å; A284-L288 PolarHBondContact O-N 2.78Å; K285-L288 PolarHBondContact O-N 3.08Å; C286-L288 PolarHBondContact O-N 3.45Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 2.71Å; L288-L291 PolarHBondContact O-N 2.75Å; L288-Q292 PolarHBondContact O-N 2.79Å; L288-T320 HydrophobicContact CD1-CG2 3.85Å; L288-T320 HydrophobicContact CD2-CG2 3.69Å; L288-T320 HydrophobicContact CG-CG2 3.57Å
289N98.4Very high98.5Very high21 Ų2129.7 Ų29.711%0.11215%0.149CC..Hα-helixtrans-63.8-30175.3-176.4-94000112.9F240 F243 K285 C286 L287 Q292 W293F240-N289 HydrophobicContact CE2-CB 4.06Å; F243-N289 HydrophobicContact CE1-CB 4.09Å; K285-N289 WeakPolarHBondContact O-CB 3.08Å; K285-N289 PolarHBondContact O-N 2.81Å; C286-N289 WeakPolarHBondContact O-CB 3.4Å; C286-N289 PolarHBondContact O-N 3.24Å; L287-N289 VanDerWaalsContact C-N 3.27Å; L287-N289 PolarHBondContact O-N 2.83Å; N289-Q292 PolarHBondContact ND2-NE2 3.49Å; N289-Q292 VanDerWaalsContact ND2-NE2 3.11Å; N289-Q292 VanDerWaalsContact O-CG 3.24Å; N289-Q292 WeakPolarHBondContact O-CG 3.25Å; N289-Q292 PolarHBondContact O-NE2 3.29Å; N289-W293 PolarHBondContact O-NE1 3.31Å
290V98.5Very high98.5Very high1 Ų129.2 Ų29.21%0.00615%0.146CC..Hα-helixtrans-80-47.6171.71730000110.8F243 M247 V259 M261 C286 L287 L288 Q292 W293F243-V290 HydrophobicContact CE1-CG2 4.31Å; F243-V290 HydrophobicContact CZ-CG2 3.88Å; M247-V290 HydrophobicContact CE-CG2 4.21Å; V259-V290 HydrophobicContact CB-CG1 4.26Å; V259-V290 HydrophobicContact CG1-CG1 3.82Å; V259-V290 HydrophobicContact CG2-CG1 4.18Å; M261-V290 HydrophobicContact CE-CG2 4.49Å; M261-V290 HydrophobicContact SD-CB 4.28Å; M261-V290 HydrophobicContact SD-CG2 4.02Å; C286-V290 PolarHBondContact O-N 3.15Å; L287-V290 PolarHBondContact O-N 2.77Å; L287-V290 VanDerWaalsContact O-N 3.08Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 2.71Å; V290-Q292 PolarHBondContact O-N 3.17Å; V290-Q292 VanDerWaalsContact O-N 3.16Å; V290-W293 HydrophobicContact CG1-CE3 4.22Å; V290-W293 HydrophobicContact CG1-CZ3 4.34Å; V290-W293 HydrophobicContact CG2-CZ3 4.38Å; V290-W293 VanDerWaalsContact O-CB 3.32Å; V290-W293 WeakPolarHBondContact O-CB 3.31Å; V290-W293 PolarHBondContact O-N 3.43Å
291L98.3Very high98.6Very high3 Ų329 Ų292%0.01615%0.145CC..Hα-helixtrans-66.1-18.1-176.1-67.9-179.4000114.2R13 V132 L287 L288 W293 Q294 T297 V321R13-L291 PolarHBondContact NH2-O 2.82Å; V132-L291 HydrophobicContact CG2-CD2 3.78Å; L287-L291 HydrophobicContact CD1-CD1 3.83Å; L287-L291 HydrophobicContact CD1-CD2 4.37Å; L287-L291 HydrophobicContact CD1-CG 3.85Å; L287-L291 HydrophobicContact CD2-CD1 4.41Å; L287-L291 HydrophobicContact CG-CD1 3.79Å; L287-L291 HydrophobicContact CG-CG 4.2Å; L287-L291 WeakPolarHBondContact O-CG 2.97Å; L287-L291 PolarHBondContact O-N 3.14Å; L288-L291 PolarHBondContact O-N 2.75Å; L291-W293 PolarHBondContact O-N 3.25Å; L291-Q294 PolarHBondContact O-N 2.58Å; L291-T297 HydrophobicContact CD2-CG2 4.05Å; L291-V321 HydrophobicContact CD1-CG2 4.05Å
292Q97.3Very high98.5Very high105 Ų10526 Ų2649%0.49113%0.126SC..THydrogen-bonded Turntrans-67.5-20.1172.378.9-170.2-33.500112.6L288 N289 V290 Q294L288-Q292 PolarHBondContact O-N 2.79Å; N289-Q292 PolarHBondContact ND2-NE2 3.49Å; N289-Q292 VanDerWaalsContact ND2-NE2 3.11Å; N289-Q292 VanDerWaalsContact O-CG 3.24Å; N289-Q292 WeakPolarHBondContact O-CG 3.25Å; N289-Q292 PolarHBondContact O-NE2 3.29Å; V290-Q292 PolarHBondContact O-N 3.17Å; V290-Q292 VanDerWaalsContact O-N 3.16Å; Q292-Q294 PolarHBondContact O-N 3.08Å
293W98Very high98.5Very high41 Ų4126.2 Ų26.216%0.15513%0.129CC..THydrogen-bonded Turntrans-73.3-12.2177.5-58.1-22.2000113.2L172 M247 R251 V259 N289 V290 L291 L295L172-W293 HydrophobicContact CD2-CH2 4.28Å; L172-W293 HydrophobicContact CD2-CZ3 3.73Å; M247-W293 HydrophobicContact CB-CH2 4.33Å; M247-W293 HydrophobicContact CB-CZ2 4.37Å; M247-W293 HydrophobicContact CE-CH2 3.47Å; M247-W293 VanDerWaalsContact CE-CH2 3.47Å; M247-W293 HydrophobicContact CE-CZ2 4.49Å; M247-W293 HydrophobicContact CE-CZ3 4.01Å; R251-W293 HydrophobicContact CB-CH2 3.98Å; R251-W293 HydrophobicContact CB-CZ2 3.6Å; R251-W293 HydrophobicContact CG-CD2 4.32Å; R251-W293 HydrophobicContact CG-CZ2 4.04Å; V259-W293 HydrophobicContact CG2-CE3 4.4Å; N289-W293 PolarHBondContact O-NE1 3.31Å; V290-W293 HydrophobicContact CG1-CE3 4.22Å; V290-W293 HydrophobicContact CG1-CZ3 4.34Å; V290-W293 HydrophobicContact CG2-CZ3 4.38Å; V290-W293 VanDerWaalsContact O-CB 3.32Å; V290-W293 WeakPolarHBondContact O-CB 3.31Å; V290-W293 PolarHBondContact O-N 3.43Å; L291-W293 PolarHBondContact O-N 3.25Å; W293-L295 HydrophobicContact CB-CD1 4.37Å; W293-L295 HydrophobicContact CB-CG 4.15Å; W293-L295 HydrophobicContact CE3-CD1 4.5Å; W293-L295 PolarHBondContact O-N 3.45Å
294Q97.8Very high98.5Very high156 Ų15626.1 Ų26.173%0.72913%0.128SC*.  trans54.237.1177.2-59.9173.153.700112.8L291 Q292L291-Q294 PolarHBondContact O-N 2.58Å; Q292-Q294 PolarHBondContact O-N 3.08Å
295L98.6Very high98.5Very high29 Ų2927.9 Ų27.915%0.15213%0.134CC..  trans-91157170.8-61.7178.6000109.9P256 V259 W293 T297P256-L295 HydrophobicContact CB-CD1 4.23Å; P256-L295 HydrophobicContact CG-CD1 3.94Å; P256-L295 VanDerWaalsContact O-CD1 3.27Å; P256-L295 WeakPolarHBondContact O-CD1 3.39Å; V259-L295 HydrophobicContact CG2-CB 4.43Å; V259-L295 HydrophobicContact CG2-CD1 3.96Å; W293-L295 HydrophobicContact CB-CD1 4.37Å; W293-L295 HydrophobicContact CB-CG 4.15Å; W293-L295 HydrophobicContact CE3-CD1 4.5Å; W293-L295 PolarHBondContact O-N 3.45Å; L295-T297 PolarHBondContact O-N 3.2Å; L295-T297 PolarHBondContact O-OG1 3.11Å
296P98.8Very high98.4Very high33 Ų3327 Ų2721%0.21413%0.132CC..  trans-54.4121164.5-21.833.2000109.8L125 D131 E257 A258 V259L125-P296 HydrophobicContact CB-CB 4.29Å; L125-P296 HydrophobicContact CD2-CB 4.09Å; D131-P296 WeakPolarHBondContact O-CA 3.49Å; E257-P296 WeakPolarHBondContact O-CD 3.4Å; A258-P296 WeakPolarHBondContact CA-O 3.31Å; A258-P296 HydrophobicContact CB-CB 4.36Å; V259-P296 PolarHBondContact N-O 3.1Å
297T98.9Very high98.4Very high1 Ų128.9 Ų28.91%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-124.6122.8-175.5-59.50000111.4D131 V132 A133 V259 L291 L295 L299D131-T297 PolarHBondContact O-N 3.31Å; V132-T297 CarbonylContact C-O 3.37Å; V132-T297 VanDerWaalsContact CA-O 3.26Å; V132-T297 WeakPolarHBondContact CA-O 3.37Å; A133-T297 PolarHBondContact N-O 2.91Å; V259-T297 HydrophobicContact CB-CG2 4.32Å; V259-T297 CarbonylContact O-C 3.57Å; V259-T297 VanDerWaalsContact O-CA 3.29Å; V259-T297 WeakPolarHBondContact O-CA 3.43Å; L291-T297 HydrophobicContact CD2-CG2 4.05Å; L295-T297 PolarHBondContact O-N 3.2Å; L295-T297 PolarHBondContact O-OG1 3.11Å; T297-L299 HydrophobicContact CG2-CD2 3.48Å; T297-L299 VanDerWaalsContact CG2-CD2 3.48Å; T297-L299 HydrophobicContact CG2-CG 4.2Å
298L98.9Very high98.4Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-96.5125.1170-164.1153.1000108.8T118 A121 A122 L125 A133 V259 L260 M261 L300T118-L298 HydrophobicContact CG2-CD1 4.27Å; T118-L298 HydrophobicContact CG2-CD2 4.16Å; A121-L298 HydrophobicContact CB-CD1 3.73Å; A121-L298 HydrophobicContact CB-CG 4.03Å; A122-L298 HydrophobicContact CB-CD1 3.81Å; L125-L298 HydrophobicContact CD1-CB 3.69Å; L125-L298 HydrophobicContact CD1-CD1 4.37Å; L125-L298 HydrophobicContact CD1-CG 4.35Å; A133-L298 CarbonylContact O-C 3.58Å; A133-L298 WeakPolarHBondContact O-CA 3.43Å; V259-L298 PolarHBondContact O-N 3.43Å; L260-L298 CarbonylContact C-O 3.55Å; L260-L298 WeakPolarHBondContact CA-O 3.21Å; L260-L298 HydrophobicContact CB-CB 4.5Å; L260-L298 HydrophobicContact CD1-CB 4.46Å; L260-L298 HydrophobicContact CD1-CD1 4.46Å; L260-L298 HydrophobicContact CD1-CD2 3.83Å; L260-L298 HydrophobicContact CD1-CG 4.48Å; L260-L298 HydrophobicContact CG-CB 4.16Å; L260-L298 HydrophobicContact CG-CD2 3.86Å; M261-L298 PolarHBondContact N-O 2.87Å; L298-L300 HydrophobicContact CD2-CD1 4.18Å; L298-L300 HydrophobicContact CD2-CD2 3.33Å; L298-L300 HydrophobicContact CD2-CG 3.49Å; L298-L300 VanDerWaalsContact CD2-CG 3.49Å
299L98.9Very high98.4Very high0 Ų026.4 Ų26.40%013%0.131CC..EExtended strand (participates in β ladder)trans-108.1125.6179.1-57.4-176.2000109.7V132 A133 I134 N135 W136 M261 L263 L287 T297 V321V132-L299 HydrophobicContact CG1-CD1 3.64Å; V132-L299 HydrophobicContact CG1-CG 3.85Å; A133-L299 PolarHBondContact O-N 3.21Å; I134-L299 HydrophobicContact CG1-CB 4.25Å; I134-L299 HydrophobicContact CG1-CD1 4.09Å; N135-L299 PolarHBondContact N-O 3.48Å; W136-L299 HydrophobicContact CH2-CB 4.5Å; M261-L299 HydrophobicContact CB-CD2 3.88Å; M261-L299 WeakPolarHBondContact O-CA 3.42Å; L263-L299 HydrophobicContact CD1-CB 4.21Å; L263-L299 HydrophobicContact CD1-CD1 4.44Å; L263-L299 HydrophobicContact CD1-CD2 4.08Å; L263-L299 HydrophobicContact CD1-CG 4.47Å; L287-L299 HydrophobicContact CD1-CD1 3.98Å; L287-L299 HydrophobicContact CD1-CD2 3.63Å; L287-L299 HydrophobicContact CD1-CG 4.5Å; L287-L299 HydrophobicContact CD2-CD1 4.4Å; T297-L299 HydrophobicContact CG2-CD2 3.48Å; T297-L299 VanDerWaalsContact CG2-CD2 3.48Å; T297-L299 HydrophobicContact CG2-CG 4.2Å; L299-V321 HydrophobicContact CD1-CG2 3.56Å
300L99Very high98.4Very high0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-113.5160.4175.4-63.2-175.2000111.1T118 N135 A157 L260 M261 L263 L298T118-L300 HydrophobicContact CG2-CD1 4.27Å; T118-L300 HydrophobicContact CG2-CD2 4.01Å; T118-L300 WeakPolarHBondContact OG1-CD2 3.23Å; N135-L300 HydrophobicContact CB-CD2 3.9Å; N135-L300 WeakPolarHBondContact O-CA 3.28Å; A157-L300 HydrophobicContact CB-CD1 3.85Å; L260-L300 HydrophobicContact CD1-CD1 4.18Å; L260-L300 HydrophobicContact CD2-CD1 3.69Å; L260-L300 HydrophobicContact CD2-CG 4.09Å; L260-L300 HydrophobicContact CG-CD1 4.34Å; M261-L300 PolarHBondContact O-N 2.87Å; L263-L300 WeakPolarHBondContact CB-O 3.37Å; L263-L300 PolarHBondContact N-O 3.12Å; L298-L300 HydrophobicContact CD2-CD1 4.18Å; L298-L300 HydrophobicContact CD2-CD2 3.33Å; L298-L300 HydrophobicContact CD2-CG 3.49Å; L298-L300 VanDerWaalsContact CD2-CG 3.49Å
301G98.9Very high98.5Very high0 Ų025.4 Ų25.40%013%0.126CC..  trans-78.3-118.7169.200000111.3N135 W136 G138 Q262 L263 G264 W314N135-G301 PolarHBondContact O-N 3.18Å; W136-G301 WeakPolarHBondContact O-CA 3.36Å; G138-G301 CarbonylContact O-C 3.54Å; G138-G301 WeakPolarHBondContact O-CA 3.12Å; G138-G301 PolarHBondContact O-N 3.14Å; G138-G301 VanDerWaalsContact O-N 3.15Å; Q262-G301 VanDerWaalsContact CD-O 3.22Å; Q262-G301 WeakPolarHBondContact CG-O 3.24Å; Q262-G301 PolarHBondContact NE2-O 3.42Å; L263-G301 CarbonylContact C-O 3.45Å; L263-G301 PolarHBondContact N-O 3.16Å; G264-G301 PolarHBondContact N-O 2.78Å; G301-W314 VanDerWaalsContact CA-CZ2 3.42Å
302G98.4Very high98.5Very high1 Ų125.9 Ų25.91%0.0113%0.127CC..  trans136.1-143.3-176.100000113.7R36 G138 Q262R36-G302 PolarHBondContact NH1-O 2.84Å; R36-G302 PolarHBondContact NH2-O 3.26Å; G138-G302 PolarHBondContact O-N 3.03Å; G138-G302 VanDerWaalsContact O-N 3.16Å; Q262-G302 VanDerWaalsContact NE2-CA 3.31Å
303G98.1Very high98.6Very high5 Ų521 Ų215%0.05210%0.104CC..  trans-60.2168.6169.600000113D177 A265D177-G303 PolarHBondContact OD2-N 3.46Å; A265-G303 PolarHBondContact N-O 3.04Å
304G98.2Very high98.6Very high0 Ų019.1 Ų19.10%010%0.097CC..  trans137.797.1-179.400000110.9R36 T310R36-G304 WeakPolarHBondContact CD-O 3.31Å; R36-G304 PolarHBondContact NH1-O 2.76Å; R36-G304 VanDerWaalsContact NH1-O 3.08Å; G304-T310 VanDerWaalsContact C-OG1 3.23Å; G304-T310 VanDerWaalsContact CA-OG1 3.31Å; G304-T310 WeakPolarHBondContact CA-OG1 3.39Å; G304-T310 PolarHBondContact O-OG1 3.16Å
305Y98Very high98.7Very high43 Ų4311.7 Ų11.717%0.1696%0.063CC..  trans-111.4-11.2-164.3-48.1-80.9000112.6V33 F151 D266 D271 M273 L307V33-Y305 HydrophobicContact CG1-CD1 4.07Å; V33-Y305 HydrophobicContact CG1-CE1 4.43Å; F151-Y305 AromaticContact CD2-CE1 3.99Å; F151-Y305 HydrophobicContact CD2-CE1 3.99Å; F151-Y305 AromaticContact CE2-CE1 3.72Å; F151-Y305 HydrophobicContact CE2-CE1 3.72Å; F151-Y305 AromaticContact CE2-CZ 3.91Å; F151-Y305 WeakPolarHBondContact CE2-OH 3.41Å; D266-Y305 HydrophobicContact CB-CD2 3.81Å; D266-Y305 HydrophobicContact CB-CE2 3.65Å; D266-Y305 WeakPolarHBondContact OD2-CE2 3.32Å; D271-Y305 PolarHBondContact OD2-N 3Å; M273-Y305 HydrophobicContact CE-CD2 3.62Å; M273-Y305 HydrophobicContact CE-CE1 4.34Å; M273-Y305 HydrophobicContact CE-CE2 3.26Å; M273-Y305 HydrophobicContact CE-CG 4.29Å; M273-Y305 HydrophobicContact CG-CD2 3.76Å; M273-Y305 HydrophobicContact CG-CE2 3.84Å; M273-Y305 HydrophobicContact SD-CE2 4.43Å; Y305-L307 PolarHBondContact O-N 3.33Å
306N98.3Very high98.7Very high48 Ų4813 Ų1326%0.2577%0.067SC..SBendtrans-84.697.7155.1-175.1-43.3000109G270 D271 A308 N309 T310G270-N306 PolarHBondContact O-ND2 2.7Å; D271-N306 PolarHBondContact OD2-N 3.37Å; D271-N306 VanDerWaalsContact OD2-N 3.13Å; N306-A308 PolarHBondContact O-N 3.26Å; N306-N309 HydrophobicContact CB-CB 3.97Å; N306-N309 PolarHBondContact O-N 2.87Å; N306-N309 VanDerWaalsContact O-N 3.13Å; N306-N309 WeakPolarHBondContact OD1-CB 3.3Å; N306-N309 PolarHBondContact OD1-N 2.85Å; N306-T310 PolarHBondContact O-N 3.13Å; N306-T310 PolarHBondContact O-OG1 3.34Å; N306-T310 VanDerWaalsContact O-OG1 3.1Å
307L98.4Very high98.7Very high41 Ų4111.4 Ų11.422%0.2156%0.057CC..Hα-helixtrans-58.9-45.3-168.5-51.1-174.3000113.1V33 P34 R36 M39 Y305 N309 T310 A311V33-L307 HydrophobicContact CB-CD2 4.36Å; V33-L307 HydrophobicContact CG1-CD2 4.42Å; P34-L307 HydrophobicContact CG-CD1 4.4Å; P34-L307 WeakPolarHBondContact O-CD1 3.36Å; R36-L307 HydrophobicContact CB-CD2 4.05Å; R36-L307 HydrophobicContact CG-CD2 4.06Å; M39-L307 HydrophobicContact CE-CB 4.46Å; M39-L307 HydrophobicContact SD-CB 3.97Å; Y305-L307 PolarHBondContact O-N 3.33Å; L307-N309 PolarHBondContact O-N 3.31Å; L307-T310 PolarHBondContact O-N 3.26Å; L307-A311 PolarHBondContact O-N 3.38Å
308A98.4Very high98.7Very high9 Ų911.3 Ų11.37%0.0746%0.057CC..Hα-helixtrans-64.6-40.5178.200000111.7M39 N306 A311 R312 E338 Y339M39-A308 HydrophobicContact SD-CB 4.31Å; N306-A308 PolarHBondContact O-N 3.26Å; A308-A311 PolarHBondContact O-N 3.31Å; A308-R312 VanDerWaalsContact O-CG 3.31Å; A308-R312 WeakPolarHBondContact O-CG 3.42Å; A308-R312 PolarHBondContact O-N 3.46Å; A308-E338 WeakPolarHBondContact CB-O 3.13Å; A308-Y339 HydrophobicContact CB-CD1 4.2Å; A308-Y339 HydrophobicContact CB-CE1 4.18Å
309N98.7Very high98.7Very high18 Ų1811.4 Ų11.410%0.0966%0.057CC..Hα-helixtrans-69.2-34.4175.8-77.22.5000112.8A269 N306 L307 R312 C313 I347A269-N309 PolarHBondContact O-ND2 3.06Å; N306-N309 HydrophobicContact CB-CB 3.97Å; N306-N309 PolarHBondContact O-N 2.87Å; N306-N309 VanDerWaalsContact O-N 3.13Å; N306-N309 WeakPolarHBondContact OD1-CB 3.3Å; N306-N309 PolarHBondContact OD1-N 2.85Å; L307-N309 PolarHBondContact O-N 3.31Å; N309-R312 PolarHBondContact O-N 2.91Å; N309-R312 PolarHBondContact OD1-NH1 3.34Å; N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.32Å; N309-C313 PolarHBondContact O-N 3.13Å; N309-I347 HydrophobicContact CB-CD1 3.55Å; N309-I347 HydrophobicContact CB-CG1 4.47Å
310T98.9Very high98.7Very high1 Ų112.3 Ų12.31%0.0066%0.062CC..Hα-helixtrans-63.3-45171.4-590000110.9R36 A265 G304 N306 L307 C313 W314R36-T310 HydrophobicContact CG-CG2 4.27Å; A265-T310 HydrophobicContact CB-CG2 3.79Å; G304-T310 VanDerWaalsContact C-OG1 3.23Å; G304-T310 VanDerWaalsContact CA-OG1 3.31Å; G304-T310 WeakPolarHBondContact CA-OG1 3.39Å; G304-T310 PolarHBondContact O-OG1 3.16Å; N306-T310 PolarHBondContact O-N 3.13Å; N306-T310 PolarHBondContact O-OG1 3.34Å; N306-T310 VanDerWaalsContact O-OG1 3.1Å; L307-T310 PolarHBondContact O-N 3.26Å; T310-C313 PolarHBondContact O-N 2.75Å; T310-W314 HydrophobicContact CG2-CD2 3.64Å; T310-W314 HydrophobicContact CG2-CE3 3.54Å; T310-W314 HydrophobicContact CG2-CG 4.46Å; T310-W314 HydrophobicContact CG2-CH2 3.56Å; T310-W314 HydrophobicContact CG2-CZ2 3.63Å; T310-W314 HydrophobicContact CG2-CZ3 3.51Å; T310-W314 PolarHBondContact O-N 3.1Å
311A98.9Very high98.6Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-61.3-44.7175.100000112.3M39 V40 L43 L307 A308 C313 T315 Y339M39-A311 HydrophobicContact CG-CB 3.8Å; M39-A311 HydrophobicContact SD-CB 4.2Å; V40-A311 HydrophobicContact CG2-CB 4.08Å; L43-A311 HydrophobicContact CD2-CB 4.18Å; L307-A311 PolarHBondContact O-N 3.38Å; A308-A311 PolarHBondContact O-N 3.31Å; A311-C313 PolarHBondContact O-N 2.97Å; A311-T315 WeakPolarHBondContact O-CB 3.46Å; A311-T315 PolarHBondContact O-N 3.02Å; A311-T315 PolarHBondContact O-OG1 3.4Å; A311-Y339 HydrophobicContact CB-CE1 4.36Å; A311-Y339 VanDerWaalsContact CB-OH 3.24Å; A311-Y339 WeakPolarHBondContact CB-OH 3.16Å
312R98.9Very high98.6Very high13 Ų1313.9 Ų13.95%0.0497%0.071CC..Hα-helixtrans-54.9-50.7171.3-72.6172.5173.3112.1-0.9111.2A308 N309 F316 Y339 D342 S344 L345 I347A308-R312 VanDerWaalsContact O-CG 3.31Å; A308-R312 WeakPolarHBondContact O-CG 3.42Å; A308-R312 PolarHBondContact O-N 3.46Å; N309-R312 PolarHBondContact O-N 2.91Å; N309-R312 PolarHBondContact OD1-NH1 3.34Å; R312-F316 VanDerWaalsContact O-CB 3.25Å; R312-F316 WeakPolarHBondContact O-CB 3.09Å; R312-F316 PolarHBondContact O-N 3.48Å; R312-Y339 HydrophobicContact CG-CD1 4.12Å; R312-Y339 HydrophobicContact CG-CE1 4.02Å; R312-Y339 PolarHBondContact NH2-O 3.47Å; R312-D342 IonicContact NH2-OD1 3.28Å; R312-D342 IonicContact NH2-OD2 3.92Å; R312-S344 PolarHBondContact NE-O 3.39Å; R312-S344 PolarHBondContact NH2-O 3.16Å; R312-S344 VanDerWaalsContact NH2-O 3.16Å; R312-L345 HydrophobicContact CB-CD1 4.13Å; R312-L345 WeakPolarHBondContact CD-O 3.31Å; R312-L345 HydrophobicContact CG-CD1 4.21Å; R312-I347 HydrophobicContact CB-CD1 4.27Å; R312-I347 HydrophobicContact CB-CG1 4.46Å
313C98.9Very high98.6Very high1 Ų116.7 Ų16.71%0.00710%0.099CC..Hα-helixtrans-59.8-57.9-177.3-174.80000111.6A265 M268 P280 N309 T310 A311 T315 F316 L317A265-C313 HydrophobicContact CB-CB 4.21Å; M268-C313 HydrophobicContact CG-CB 4.24Å; M268-C313 HydrophobicContact SD-CB 4.24Å; P280-C313 HydrophobicContact CB-CB 4.43Å; P280-C313 HydrophobicContact CG-CB 4.02Å; N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.32Å; N309-C313 PolarHBondContact O-N 3.13Å; T310-C313 PolarHBondContact O-N 2.75Å; A311-C313 PolarHBondContact O-N 2.97Å; C313-T315 VanDerWaalsContact C-N 3.32Å; C313-T315 PolarHBondContact O-N 2.87Å; C313-F316 WeakPolarHBondContact O-CB 3.24Å; C313-F316 PolarHBondContact O-N 2.9Å; C313-L317 VanDerWaalsContact O-CG 3.29Å; C313-L317 WeakPolarHBondContact O-CG 3.39Å; C313-L317 PolarHBondContact O-N 2.89Å
314W98.9Very high98.5Very high2 Ų220.1 Ų20.11%0.00811%0.113CC..Hα-helixtrans-69.3-28.9-175.9-65.4-17.3000113V40 W136 L263 A265 G301 T310 T318V40-W314 HydrophobicContact CB-CE3 4.31Å; V40-W314 HydrophobicContact CG1-CB 4.17Å; V40-W314 HydrophobicContact CG1-CE3 3.96Å; V40-W314 HydrophobicContact CG2-CE3 3.45Å; V40-W314 VanDerWaalsContact CG2-CE3 3.45Å; V40-W314 HydrophobicContact CG2-CZ3 3.93Å; W136-W314 HydrophobicContact CB-CD2 4.33Å; W136-W314 HydrophobicContact CB-CE3 3.8Å; W136-W314 HydrophobicContact CB-CZ3 4.19Å; W136-W314 HydrophobicContact CD2-CB 3.83Å; W136-W314 HydrophobicContact CD2-CD2 4.19Å; W136-W314 AromaticContact CD2-CG 3.89Å; W136-W314 HydrophobicContact CD2-CG 3.89Å; W136-W314 HydrophobicContact CE3-CB 4.19Å; W136-W314 AromaticContact CE3-CD1 3.9Å; W136-W314 HydrophobicContact CE3-CD2 4Å; W136-W314 AromaticContact CE3-CG 3.78Å; W136-W314 HydrophobicContact CE3-CG 3.78Å; W136-W314 HydrophobicContact CG-CB 4.15Å; W136-W314 HydrophobicContact CG-CD2 4.35Å; W136-W314 HydrophobicContact CG-CE3 4.2Å; W136-W314 HydrophobicContact CG-CG 4.36Å; W136-W314 HydrophobicContact CZ2-CB 4.27Å; W136-W314 AromaticContact CZ3-CD1 3.91Å; W136-W314 HydrophobicContact CZ3-CG 4.18Å; W136-W314 WeakPolarHBondContact O-CH2 3.25Å; W136-W314 VanDerWaalsContact O-CZ3 3.3Å; W136-W314 WeakPolarHBondContact O-CZ3 3.42Å; L263-W314 PolarHBondContact O-NE1 2.91Å; A265-W314 HydrophobicContact CB-CZ2 4.41Å; G301-W314 VanDerWaalsContact CA-CZ2 3.42Å; T310-W314 HydrophobicContact CG2-CD2 3.64Å; T310-W314 HydrophobicContact CG2-CE3 3.54Å; T310-W314 HydrophobicContact CG2-CG 4.46Å; T310-W314 HydrophobicContact CG2-CH2 3.56Å; T310-W314 HydrophobicContact CG2-CZ2 3.63Å; T310-W314 HydrophobicContact CG2-CZ3 3.51Å; T310-W314 PolarHBondContact O-N 3.1Å; W314-T318 WeakPolarHBondContact O-CB 3.32Å; W314-T318 PolarHBondContact O-N 2.86Å; W314-T318 PolarHBondContact O-OG1 3.16Å
315T98.9Very high98.5Very high0 Ų027 Ų270%016%0.155CC..Hα-helixtrans-67-45170.5-59.40000111.6L43 I44 Y47 L49 A311 C313 L317 T318 A319 L326L43-T315 HydrophobicContact CD2-CG2 4.29Å; L43-T315 WeakPolarHBondContact CD2-OG1 3.47Å; L43-T315 HydrophobicContact CG-CG2 4.14Å; I44-T315 HydrophobicContact CG1-CG2 4.19Å; I44-T315 WeakPolarHBondContact CG1-OG1 3.43Å; Y47-T315 HydrophobicContact CD2-CG2 3.62Å; Y47-T315 HydrophobicContact CE2-CG2 4.16Å; Y47-T315 HydrophobicContact CG-CG2 4.35Å; L49-T315 HydrophobicContact CD1-CG2 4.09Å; A311-T315 WeakPolarHBondContact O-CB 3.46Å; A311-T315 PolarHBondContact O-N 3.02Å; A311-T315 PolarHBondContact O-OG1 3.4Å; C313-T315 VanDerWaalsContact C-N 3.32Å; C313-T315 PolarHBondContact O-N 2.87Å; T315-L317 PolarHBondContact O-N 2.84Å; T315-T318 WeakPolarHBondContact O-CB 3.46Å; T315-T318 PolarHBondContact O-N 2.94Å; T315-A319 PolarHBondContact O-N 3.49Å; T315-L326 HydrophobicContact CG2-CD1 3.91Å
316F98.9Very high98.5Very high56 Ų5626.4 Ų26.425%0.24616%0.155CC..Hα-helixtrans-61.8-42.3175.7-175.4-93.3000112P280 V281 A284 R312 C313 A319 T320 L345P280-F316 HydrophobicContact CB-CB 4.01Å; P280-F316 HydrophobicContact CB-CD1 3.63Å; P280-F316 HydrophobicContact CB-CE1 4.35Å; P280-F316 HydrophobicContact CB-CG 3.94Å; V281-F316 HydrophobicContact CG2-CE1 4.28Å; V281-F316 HydrophobicContact CG2-CZ 3.99Å; A284-F316 HydrophobicContact CB-CD1 4.07Å; A284-F316 HydrophobicContact CB-CE1 3.56Å; R312-F316 VanDerWaalsContact O-CB 3.25Å; R312-F316 WeakPolarHBondContact O-CB 3.09Å; R312-F316 PolarHBondContact O-N 3.48Å; C313-F316 WeakPolarHBondContact O-CB 3.24Å; C313-F316 PolarHBondContact O-N 2.9Å; F316-A319 PolarHBondContact O-N 2.98Å; F316-T320 WeakPolarHBondContact O-CB 3.46Å; F316-T320 PolarHBondContact O-N 2.83Å; F316-T320 PolarHBondContact O-OG1 2.86Å; F316-L345 HydrophobicContact CD2-CD2 4.09Å
317L98.9Very high98.5Very high0 Ų027.5 Ų27.50%017%0.166CC..Hα-helixtrans-65.8-39.6175.5-65.1176.8000111.5W136 L263 V283 A284 L287 C313 T315 A319 T320 V321W136-L317 HydrophobicContact CH2-CB 4.04Å; W136-L317 HydrophobicContact CH2-CD1 4.39Å; W136-L317 HydrophobicContact CZ2-CB 4.21Å; L263-L317 HydrophobicContact CB-CD1 4.26Å; L263-L317 HydrophobicContact CD1-CD1 4.2Å; L263-L317 HydrophobicContact CD2-CD1 4.41Å; V283-L317 HydrophobicContact CB-CD2 4.34Å; V283-L317 HydrophobicContact CG1-CD1 3.85Å; V283-L317 HydrophobicContact CG1-CD2 4.01Å; A284-L317 HydrophobicContact CB-CD2 3.78Å; L287-L317 HydrophobicContact CD2-CB 4.19Å; L287-L317 HydrophobicContact CD2-CD2 4.03Å; C313-L317 VanDerWaalsContact O-CG 3.29Å; C313-L317 WeakPolarHBondContact O-CG 3.39Å; C313-L317 PolarHBondContact O-N 2.89Å; T315-L317 PolarHBondContact O-N 2.84Å; L317-A319 PolarHBondContact O-N 3.4Å; L317-T320 VanDerWaalsContact O-CB 3.31Å; L317-T320 WeakPolarHBondContact O-CB 3.22Å; L317-T320 PolarHBondContact O-N 3.45Å; L317-T320 VanDerWaalsContact O-N 3.14Å; L317-V321 WeakPolarHBondContact O-CG2 3.25Å; L317-V321 PolarHBondContact O-N 2.6Å
318T98.9Very high98.5Very high0 Ų028.1 Ų28.10%017%0.174CC..Hα-helixtrans-59.1-47.3174-57.90000111.2I44 L49 M53 I134 W136 W314 T315 T320 V321 L322I44-T318 HydrophobicContact CG2-CG2 4.39Å; L49-T318 HydrophobicContact CD1-CG2 3.94Å; M53-T318 HydrophobicContact CE-CG2 3.85Å; M53-T318 HydrophobicContact SD-CG2 3.66Å; I134-T318 HydrophobicContact CD1-CG2 4.42Å; W136-T318 WeakPolarHBondContact CZ2-OG1 3.41Å; W136-T318 PolarHBondContact NE1-OG1 2.97Å; W314-T318 WeakPolarHBondContact O-CB 3.32Å; W314-T318 PolarHBondContact O-N 2.86Å; W314-T318 PolarHBondContact O-OG1 3.16Å; T315-T318 WeakPolarHBondContact O-CB 3.46Å; T315-T318 PolarHBondContact O-N 2.94Å; T318-T320 VanDerWaalsContact C-N 3.3Å; T318-T320 PolarHBondContact O-N 3.08Å; T318-V321 PolarHBondContact O-N 2.59Å; T318-L322 HydrophobicContact CG2-CD1 4.19Å; T318-L322 WeakPolarHBondContact O-CG 3.36Å; T318-L322 PolarHBondContact O-N 2.8Å; T318-L322 VanDerWaalsContact O-N 3.15Å
319A98.8Very high98.5Very high1 Ų134.6 Ų34.61%0.00820%0.203CC..Hα-helixtrans-63.3-36.6175.300000112.5L49 T315 F316 L317 L322 G323 K324 L326L49-A319 HydrophobicContact CD1-CB 4.12Å; L49-A319 HydrophobicContact CD2-CB 4.26Å; T315-A319 PolarHBondContact O-N 3.49Å; F316-A319 PolarHBondContact O-N 2.98Å; L317-A319 PolarHBondContact O-N 3.4Å; A319-L322 CarbonylContact O-C 3.58Å; A319-L322 PolarHBondContact O-N 3.42Å; A319-L322 VanDerWaalsContact O-N 3.17Å; A319-G323 PolarHBondContact O-N 2.9Å; A319-K324 HydrophobicContact CB-CB 4.22Å; A319-K324 PolarHBondContact O-N 2.95Å; A319-L326 HydrophobicContact CB-CD1 3.58Å; A319-L326 HydrophobicContact CB-CD2 3.72Å; A319-L326 HydrophobicContact CB-CG 3.46Å; A319-L326 VanDerWaalsContact CB-CG 3.46Å
320T98.6Very high98.5Very high19 Ų1933.9 Ų33.912%0.11720%0.199CC..Hα-helixtrans-60.4-46.3174.8-61.50000111.6A284 L288 F316 L317 T318 L322 G323A284-T320 HydrophobicContact CB-CG2 4.06Å; L288-T320 HydrophobicContact CD1-CG2 3.85Å; L288-T320 HydrophobicContact CD2-CG2 3.69Å; L288-T320 HydrophobicContact CG-CG2 3.57Å; F316-T320 WeakPolarHBondContact O-CB 3.46Å; F316-T320 PolarHBondContact O-N 2.83Å; F316-T320 PolarHBondContact O-OG1 2.86Å; L317-T320 VanDerWaalsContact O-CB 3.31Å; L317-T320 WeakPolarHBondContact O-CB 3.22Å; L317-T320 PolarHBondContact O-N 3.45Å; L317-T320 VanDerWaalsContact O-N 3.14Å; T318-T320 VanDerWaalsContact C-N 3.3Å; T318-T320 PolarHBondContact O-N 3.08Å; T320-L322 PolarHBondContact O-N 2.96Å; T320-G323 PolarHBondContact O-N 3.24Å; T320-G323 VanDerWaalsContact O-N 3.12Å
321V98.5Very high98.4Very high1 Ų135.6 Ų35.61%0.00621%0.21CC..Hα-helixtrans-58.1-40.6175.2178.10000110.8V15 V132 I134 L287 L291 L299 L317 T318 G323V15-V321 HydrophobicContact CG1-CG1 4.3Å; V15-V321 HydrophobicContact CG2-CG1 3.65Å; V132-V321 HydrophobicContact CB-CG1 4.12Å; V132-V321 HydrophobicContact CG1-CG1 3.9Å; V132-V321 HydrophobicContact CG2-CG1 4.19Å; I134-V321 HydrophobicContact CD1-CG2 4.49Å; L287-V321 HydrophobicContact CD2-CG2 3.85Å; L291-V321 HydrophobicContact CD1-CG2 4.05Å; L299-V321 HydrophobicContact CD1-CG2 3.56Å; L317-V321 WeakPolarHBondContact O-CG2 3.25Å; L317-V321 PolarHBondContact O-N 2.6Å; T318-V321 PolarHBondContact O-N 2.59Å; V321-G323 VanDerWaalsContact C-N 3.27Å; V321-G323 PolarHBondContact O-N 3.21Å
322L98.3Very high98.4Very high33 Ų3342.2 Ų42.217%0.17325%0.245CC..THydrogen-bonded Turntrans-78.1-4.6-179.5-67.2171.6000114.4V15 L49 H52 M53 T318 A319 T320 K324V15-L322 HydrophobicContact CB-CD2 4.19Å; V15-L322 HydrophobicContact CG2-CD2 3.81Å; L49-L322 HydrophobicContact CB-CD1 4.13Å; L49-L322 HydrophobicContact CD2-CD1 4.01Å; H52-L322 HydrophobicContact CB-CD1 4.11Å; H52-L322 HydrophobicContact CB-CD2 3.99Å; H52-L322 WeakPolarHBondContact O-CD2 3.39Å; M53-L322 HydrophobicContact CG-CD1 4.03Å; M53-L322 HydrophobicContact CG-CD2 3.82Å; M53-L322 HydrophobicContact CG-CG 4.38Å; M53-L322 HydrophobicContact SD-CD1 4.14Å; T318-L322 HydrophobicContact CG2-CD1 4.19Å; T318-L322 WeakPolarHBondContact O-CG 3.36Å; T318-L322 PolarHBondContact O-N 2.8Å; T318-L322 VanDerWaalsContact O-N 3.15Å; A319-L322 CarbonylContact O-C 3.58Å; A319-L322 PolarHBondContact O-N 3.42Å; A319-L322 VanDerWaalsContact O-N 3.17Å; T320-L322 PolarHBondContact O-N 2.96Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 HydrophobicContact CB-CD 4.06Å; L322-K324 HydrophobicContact CB-CG 4.18Å; L322-K324 HydrophobicContact CD1-CD 4.45Å; L322-K324 PolarHBondContact O-N 3.34Å
323G97.5Very high98.3Very high59 Ų5942.9 Ų42.961%0.60825%0.249SC*.THydrogen-bonded Turntrans63.935.3-174.900000112.9A319 T320 V321A319-G323 PolarHBondContact O-N 2.9Å; T320-G323 PolarHBondContact O-N 3.24Å; T320-G323 VanDerWaalsContact O-N 3.12Å; V321-G323 VanDerWaalsContact C-N 3.27Å; V321-G323 PolarHBondContact O-N 3.21Å
324K97.3Very high98.3Very high78 Ų7850.1 Ų50.134%0.33928%0.283SS..  trans-111.7137.8-178-74.6176.5175.3-90.30111.4L49 H52 A319 L322L49-K324 HydrophobicContact CD2-CD 3.86Å; H52-K324 WeakPolarHBondContact CD2-CE 3.35Å; H52-K324 PolarHBondContact CD2-NZ 2.92Å; H52-K324 VanDerWaalsContact CD2-NZ 3.31Å; H52-K324 PolarHBondContact CE1-NZ 2.77Å; H52-K324 WeakPolarHBondContact NE2-CE 3.2Å; H52-K324 PolarHBondContact NE2-NZ 2.83Å; A319-K324 HydrophobicContact CB-CB 4.22Å; A319-K324 PolarHBondContact O-N 2.95Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 HydrophobicContact CB-CD 4.06Å; L322-K324 HydrophobicContact CB-CG 4.18Å; L322-K324 HydrophobicContact CD1-CD 4.45Å; L322-K324 PolarHBondContact O-N 3.34Å
325T97.6Very high98.2Very high144 Ų14451.4 Ų51.488%0.88329%0.288SS*.PPolyproline II helixtrans-90.2130.4165.9-520000108.7
326L98Very high98.2Very high30 Ų3054.2 Ų54.216%0.15730%0.301CS..PPolyproline II helixtrans-93.7156.3176.7-62.9-175.5000110.9Y47 L49 T315 A319 L345Y47-L326 HydrophobicContact CD1-CB 4.11Å; Y47-L326 HydrophobicContact CD1-CD1 4.24Å; Y47-L326 HydrophobicContact CD1-CD2 3.77Å; Y47-L326 HydrophobicContact CD1-CG 4.26Å; Y47-L326 HydrophobicContact CD2-CD1 4.37Å; Y47-L326 HydrophobicContact CE1-CB 3.95Å; Y47-L326 HydrophobicContact CE1-CD1 4.44Å; Y47-L326 HydrophobicContact CE1-CD2 4.46Å; Y47-L326 HydrophobicContact CG-CD1 4.19Å; Y47-L326 HydrophobicContact CG-CD2 4.04Å; L49-L326 HydrophobicContact CD2-CD2 4Å; T315-L326 HydrophobicContact CG2-CD1 3.91Å; A319-L326 HydrophobicContact CB-CD1 3.58Å; A319-L326 HydrophobicContact CB-CD2 3.72Å; A319-L326 HydrophobicContact CB-CG 3.46Å; A319-L326 VanDerWaalsContact CB-CG 3.46Å; L326-L345 HydrophobicContact CB-CD2 3.64Å; L326-L345 HydrophobicContact CD1-CD2 3.62Å; L326-L345 HydrophobicContact CG-CD2 4.25Å
327S98Very high98.2Very high71 Ų7156.3 Ų56.350%0.49732%0.318SS..PPolyproline II helixtrans-66.1143.6165-174.50000109.7Y47 E329Y47-S327 WeakPolarHBondContact CE1-O 3.32Å; Y47-S327 PolarHBondContact OH-O 3.46Å; Y47-S327 VanDerWaalsContact OH-O 3.09Å; S327-E329 VanDerWaalsContact C-N 3.26Å; S327-E329 PolarHBondContact OG-N 3.12Å
328S97.8Very high98.1Very high54 Ų5461.8 Ų61.838%0.37834%0.344SS..SBendtrans-62.3-37169.2173.90000110.9I330 S344 L345 E346S328-I330 PolarHBondContact O-N 2.72Å; S328-S344 CarbonylContact O-C 3.54Å; S328-S344 WeakPolarHBondContact O-CA 3.48Å; S328-L345 PolarHBondContact O-N 3.46Å; S328-E346 VanDerWaalsContact CB-OE1 3.25Å; S328-E346 WeakPolarHBondContact CB-OE1 3.26Å; S328-E346 VanDerWaalsContact CB-OE2 3.31Å; S328-E346 WeakPolarHBondContact CB-OE2 3.5Å; S328-E346 VanDerWaalsContact OG-CD 3.27Å; S328-E346 PolarHBondContact OG-OE1 2.86Å; S328-E346 PolarHBondContact OG-OE2 3Å
329E98.3Very high98.1Very high146 Ų14661.8 Ų61.868%0.68234%0.344SS*.BIsolated β-bridgetrans-69125.3177.7-172.8176.1-178.200110.9Y47 S327 P331Y47-E329 PolarHBondContact OH-O 3.07Å; S327-E329 VanDerWaalsContact C-N 3.26Å; S327-E329 PolarHBondContact OG-N 3.12Å; E329-P331 WeakPolarHBondContact O-CD 3.35Å
330I98.6Very high97.9Very high2 Ų263.2 Ų63.21%0.0136%0.359CS..PPolyproline II helixtrans-67.8123.2172.6-65.2-75.5000108.3L43 Y47 S328 F336 Y339 Y343 L345L43-I330 HydrophobicContact CD1-CD1 3.92Å; L43-I330 HydrophobicContact CD1-CG2 3.84Å; L43-I330 HydrophobicContact CD2-CD1 4.19Å; Y47-I330 HydrophobicContact CE2-CD1 4.21Å; S328-I330 PolarHBondContact O-N 2.72Å; I330-F336 HydrophobicContact CB-CE2 4.43Å; I330-F336 HydrophobicContact CG2-CD2 3.99Å; I330-F336 HydrophobicContact CG2-CE2 4.24Å; I330-F336 WeakPolarHBondContact O-CE2 3.32Å; I330-Y339 HydrophobicContact CD1-CD1 3.85Å; I330-Y339 HydrophobicContact CD1-CE1 4.18Å; I330-Y339 HydrophobicContact CD1-CG 4.36Å; I330-Y339 HydrophobicContact CG1-CD1 4.14Å; I330-Y339 HydrophobicContact CG1-CG 4.23Å; I330-Y339 HydrophobicContact CG2-CD1 4.49Å; I330-Y339 HydrophobicContact CG2-CD2 4.12Å; I330-Y339 HydrophobicContact CG2-CG 4.06Å; I330-Y343 WeakPolarHBondContact CB-O 3.31Å; I330-Y343 VanDerWaalsContact CG1-O 3.3Å; I330-Y343 WeakPolarHBondContact CG1-O 3.35Å; I330-Y343 PolarHBondContact N-O 2.99Å; I330-L345 HydrophobicContact CD1-CB 4.24Å; I330-L345 HydrophobicContact CD1-CD1 4.08Å
331P98.5Very high97.8Very high38 Ų3868.2 Ų68.225%0.24739%0.391CS..PPolyproline II helixtrans-66.9150.3175.3-17.730.3000111.6A46 Y47 E329 H333A46-P331 HydrophobicContact CB-CB 4.1Å; A46-P331 HydrophobicContact CB-CG 4.43Å; Y47-P331 HydrophobicContact CD1-CG 3.87Å; Y47-P331 HydrophobicContact CD2-CG 4.29Å; Y47-P331 HydrophobicContact CE1-CG 3.89Å; Y47-P331 HydrophobicContact CE2-CG 4.33Å; Y47-P331 HydrophobicContact CG-CG 4.1Å; E329-P331 WeakPolarHBondContact O-CD 3.35Å; P331-H333 PolarHBondContact O-N 2.83Å; P331-H333 PolarHBondContact O-ND1 3.31Å
332D97.7Very high97.7Very high138 Ų13872 Ų7274%0.73841%0.412SS*.PPolyproline II helixtrans-60.3131.6173.8-170.927000110.7
333H98.3Very high97.6Very high27 Ų2774.6 Ų74.613%0.12542%0.42CS..  trans-165.1177.1-177.870-67.5000110.2S42 A46 P331 F335 F336 Y339S42-H333 PolarHBondContact OG-CD2 3.45Å; A46-H333 HydrophobicContact CB-CB 3.74Å; P331-H333 PolarHBondContact O-N 2.83Å; P331-H333 PolarHBondContact O-ND1 3.31Å; H333-F335 PolarHBondContact CD2-N 2.98Å; H333-F335 PolarHBondContact O-N 3.24Å; H333-F335 VanDerWaalsContact O-N 3.09Å; H333-F336 VanDerWaalsContact O-CB 3.27Å; H333-F336 WeakPolarHBondContact O-CB 3.26Å; H333-F336 PolarHBondContact O-N 2.89Å; H333-Y339 AromaticContact CE1-CD2 3.69Å; H333-Y339 AromaticContact CE1-CE2 3.21Å; H333-Y339 WeakPolarHBondContact CE1-CE2 3.46Å; H333-Y339 AromaticContact CE1-CZ 3.97Å; H333-Y339 AromaticContact NE2-CE2 3.21Å; H333-Y339 WeakPolarHBondContact NE2-CE2 3.25Å; H333-Y339 AromaticContact NE2-CZ 3.82Å
334E97.3Very high97.7Very high153 Ų15373.1 Ų73.172%0.71540%0.4SS*.THydrogen-bonded Turntrans-50.8-38.5-173.5-176.9174.4-163.100114.6
335F98.1Very high97.7Very high29 Ų2969.7 Ų69.713%0.12739%0.386CS..THydrogen-bonded Turntrans-103.616.4-176.3-59.7-84.1000113.6N35 M39 H333 T337 E338 Y339N35-F335 HydrophobicContact CB-CE1 4.32Å; M39-F335 HydrophobicContact CB-CD1 4.44Å; M39-F335 HydrophobicContact CB-CD2 4.17Å; M39-F335 HydrophobicContact CB-CE2 4.47Å; M39-F335 HydrophobicContact CB-CG 4.16Å; M39-F335 HydrophobicContact CE-CB 3.99Å; M39-F335 HydrophobicContact CE-CD1 3.85Å; M39-F335 HydrophobicContact CE-CG 4.1Å; M39-F335 HydrophobicContact CG-CB 4.03Å; M39-F335 HydrophobicContact CG-CD2 4.38Å; M39-F335 HydrophobicContact CG-CG 4.08Å; H333-F335 PolarHBondContact CD2-N 2.98Å; H333-F335 PolarHBondContact O-N 3.24Å; H333-F335 VanDerWaalsContact O-N 3.09Å; F335-T337 PolarHBondContact O-N 3.19Å; F335-E338 HydrophobicContact CB-CG 4.39Å; F335-E338 WeakPolarHBondContact O-CB 3.45Å; F335-E338 PolarHBondContact O-N 3.4Å; F335-Y339 HydrophobicContact CB-CE2 4.28Å; F335-Y339 VanDerWaalsContact O-CD2 3.32Å; F335-Y339 WeakPolarHBondContact O-CD2 3.39Å; F335-Y339 WeakPolarHBondContact O-CE2 3.44Å
336F98.3Very high97.7Very high59 Ų5967.6 Ų67.626%0.25937%0.366SS..G310 helixtrans-51.1-37.3-172180-102.5000114.2I330 H333 E338 Y339 Y343I330-F336 HydrophobicContact CB-CE2 4.43Å; I330-F336 HydrophobicContact CG2-CD2 3.99Å; I330-F336 HydrophobicContact CG2-CE2 4.24Å; I330-F336 WeakPolarHBondContact O-CE2 3.32Å; H333-F336 VanDerWaalsContact O-CB 3.27Å; H333-F336 WeakPolarHBondContact O-CB 3.26Å; H333-F336 PolarHBondContact O-N 2.89Å; F336-E338 PolarHBondContact O-N 2.81Å; F336-Y339 PolarHBondContact O-N 3.38Å; F336-Y343 HydrophobicContact CD1-CD1 4.22Å; F336-Y343 HydrophobicContact CD1-CE1 4.12Å; F336-Y343 HydrophobicContact CD2-CD1 4.48Å; F336-Y343 AromaticContact CE1-CD1 3.62Å; F336-Y343 HydrophobicContact CE1-CD1 3.62Å; F336-Y343 AromaticContact CE1-CE1 3.66Å; F336-Y343 HydrophobicContact CE1-CE1 3.66Å; F336-Y343 HydrophobicContact CE1-CG 4.36Å; F336-Y343 AromaticContact CE2-CD1 3.91Å; F336-Y343 HydrophobicContact CE2-CD1 3.91Å; F336-Y343 HydrophobicContact CE2-CG 4.42Å; F336-Y343 AromaticContact CZ-CD1 3.44Å; F336-Y343 HydrophobicContact CZ-CD1 3.44Å; F336-Y343 VanDerWaalsContact CZ-CD1 3.44Å; F336-Y343 AromaticContact CZ-CE1 3.99Å; F336-Y343 HydrophobicContact CZ-CE1 3.99Å; F336-Y343 AromaticContact CZ-CG 3.87Å; F336-Y343 HydrophobicContact CZ-CG 3.87Å
337T98Very high97.7Very high101 Ų10166.8 Ų66.862%0.6236%0.362SS*.G310 helixtrans-65.2-24.8-17950.80000114.1F335 Y339 G340F335-T337 PolarHBondContact O-N 3.19Å; T337-Y339 PolarHBondContact O-N 3.15Å; T337-G340 PolarHBondContact O-N 2.79Å
338E98Very high97.5Very high114 Ų11468.2 Ų68.253%0.53337%0.372SS..G310 helixtrans-72.3-14-179.2-57-57.3133.900112.7M39 A308 F335 F336M39-E338 HydrophobicContact CE-CB 3.66Å; M39-E338 HydrophobicContact CE-CG 3.58Å; A308-E338 WeakPolarHBondContact CB-O 3.13Å; F335-E338 HydrophobicContact CB-CG 4.39Å; F335-E338 WeakPolarHBondContact O-CB 3.45Å; F335-E338 PolarHBondContact O-N 3.4Å; F336-E338 PolarHBondContact O-N 2.81Å
339Y98.3Very high97.4Very high0 Ų068.7 Ų68.70%037%0.373CS..G310 helixtrans-92.24.2178.6-59.8-90.7000113.2M39 L43 A308 A311 R312 I330 H333 F335 F336 T337 Y343M39-Y339 WeakPolarHBondContact CG-OH 3.35Å; L43-Y339 HydrophobicContact CD1-CE1 4.42Å; L43-Y339 HydrophobicContact CD2-CE1 3.78Å; L43-Y339 WeakPolarHBondContact CD2-OH 3.33Å; A308-Y339 HydrophobicContact CB-CD1 4.2Å; A308-Y339 HydrophobicContact CB-CE1 4.18Å; A311-Y339 HydrophobicContact CB-CE1 4.36Å; A311-Y339 VanDerWaalsContact CB-OH 3.24Å; A311-Y339 WeakPolarHBondContact CB-OH 3.16Å; R312-Y339 HydrophobicContact CG-CD1 4.12Å; R312-Y339 HydrophobicContact CG-CE1 4.02Å; R312-Y339 PolarHBondContact NH2-O 3.47Å; I330-Y339 HydrophobicContact CD1-CD1 3.85Å; I330-Y339 HydrophobicContact CD1-CE1 4.18Å; I330-Y339 HydrophobicContact CD1-CG 4.36Å; I330-Y339 HydrophobicContact CG1-CD1 4.14Å; I330-Y339 HydrophobicContact CG1-CG 4.23Å; I330-Y339 HydrophobicContact CG2-CD1 4.49Å; I330-Y339 HydrophobicContact CG2-CD2 4.12Å; I330-Y339 HydrophobicContact CG2-CG 4.06Å; H333-Y339 AromaticContact CE1-CD2 3.69Å; H333-Y339 AromaticContact CE1-CE2 3.21Å; H333-Y339 WeakPolarHBondContact CE1-CE2 3.46Å; H333-Y339 AromaticContact CE1-CZ 3.97Å; H333-Y339 AromaticContact NE2-CE2 3.21Å; H333-Y339 WeakPolarHBondContact NE2-CE2 3.25Å; H333-Y339 AromaticContact NE2-CZ 3.82Å; F335-Y339 HydrophobicContact CB-CE2 4.28Å; F335-Y339 VanDerWaalsContact O-CD2 3.32Å; F335-Y339 WeakPolarHBondContact O-CD2 3.39Å; F335-Y339 WeakPolarHBondContact O-CE2 3.44Å; F336-Y339 PolarHBondContact O-N 3.38Å; T337-Y339 PolarHBondContact O-N 3.15Å; Y339-Y343 WeakPolarHBondContact O-CA 3.47Å; Y339-Y343 PolarHBondContact O-N 2.77Å
340G95.7Very high97.2Very high31 Ų3163.6 Ų63.632%0.3235%0.354SS..THydrogen-bonded Turntrans-67.7160.7176.200000113.2T337T337-G340 PolarHBondContact O-N 2.79Å
341P95.8Very high97Very high124 Ų12470.4 Ų70.481%0.80540%0.4SS*.THydrogen-bonded Turncis-89.6-7.63.335.8-36000114.4Y343P341-Y343 WeakPolarHBondContact O-CD2 3.34Å; P341-Y343 WeakPolarHBondContact O-CE2 3.38Å
342D95.8Very high96.8Very high81 Ų8171.4 Ų71.443%0.43340%0.399SS..THydrogen-bonded Turntrans-88.8-30-171.961-51.3000113R312 S344R312-D342 IonicContact NH2-OD1 3.28Å; R312-D342 IonicContact NH2-OD2 3.92Å; D342-S344 PolarHBondContact O-N 2.99Å; D342-S344 VanDerWaalsContact O-N 3.14Å; D342-S344 PolarHBondContact OD2-N 3.03Å; D342-S344 PolarHBondContact OD2-OG 2.66Å
343Y97.6Very high96.8Very high88 Ų8869.4 Ų69.435%0.34539%0.393SS..  trans54.228.9-177.7-51.1-81.6000112.8I330 F336 Y339 P341I330-Y343 WeakPolarHBondContact CB-O 3.31Å; I330-Y343 VanDerWaalsContact CG1-O 3.3Å; I330-Y343 WeakPolarHBondContact CG1-O 3.35Å; I330-Y343 PolarHBondContact N-O 2.99Å; F336-Y343 HydrophobicContact CD1-CD1 4.22Å; F336-Y343 HydrophobicContact CD1-CE1 4.12Å; F336-Y343 HydrophobicContact CD2-CD1 4.48Å; F336-Y343 AromaticContact CE1-CD1 3.62Å; F336-Y343 HydrophobicContact CE1-CD1 3.62Å; F336-Y343 AromaticContact CE1-CE1 3.66Å; F336-Y343 HydrophobicContact CE1-CE1 3.66Å; F336-Y343 HydrophobicContact CE1-CG 4.36Å; F336-Y343 AromaticContact CE2-CD1 3.91Å; F336-Y343 HydrophobicContact CE2-CD1 3.91Å; F336-Y343 HydrophobicContact CE2-CG 4.42Å; F336-Y343 AromaticContact CZ-CD1 3.44Å; F336-Y343 HydrophobicContact CZ-CD1 3.44Å; F336-Y343 VanDerWaalsContact CZ-CD1 3.44Å; F336-Y343 AromaticContact CZ-CE1 3.99Å; F336-Y343 HydrophobicContact CZ-CE1 3.99Å; F336-Y343 AromaticContact CZ-CG 3.87Å; F336-Y343 HydrophobicContact CZ-CG 3.87Å; Y339-Y343 WeakPolarHBondContact O-CA 3.47Å; Y339-Y343 PolarHBondContact O-N 2.77Å; P341-Y343 WeakPolarHBondContact O-CD2 3.34Å; P341-Y343 WeakPolarHBondContact O-CE2 3.38Å
344S97.8Very high96.7Very high28 Ų2870.2 Ų70.220%0.19640%0.399CS..BIsolated β-bridgetrans-103.1154.1173.943.60000112.9R312 S328 D342R312-S344 PolarHBondContact NE-O 3.39Å; R312-S344 PolarHBondContact NH2-O 3.16Å; R312-S344 VanDerWaalsContact NH2-O 3.16Å; S328-S344 CarbonylContact O-C 3.54Å; S328-S344 WeakPolarHBondContact O-CA 3.48Å; D342-S344 PolarHBondContact O-N 2.99Å; D342-S344 VanDerWaalsContact O-N 3.14Å; D342-S344 PolarHBondContact OD2-N 3.03Å; D342-S344 PolarHBondContact OD2-OG 2.66Å
345L98.4Very high96.7Very high6 Ų670.5 Ų70.53%0.03139%0.393CS..SBendtrans-75.2-33.2176.6-174.964.1000112.2L43 Y47 R312 F316 L326 S328 I330L43-L345 HydrophobicContact CD2-CD1 4.48Å; Y47-L345 HydrophobicContact CE2-CD1 4.07Å; R312-L345 HydrophobicContact CB-CD1 4.13Å; R312-L345 WeakPolarHBondContact CD-O 3.31Å; R312-L345 HydrophobicContact CG-CD1 4.21Å; F316-L345 HydrophobicContact CD2-CD2 4.09Å; L326-L345 HydrophobicContact CB-CD2 3.64Å; L326-L345 HydrophobicContact CD1-CD2 3.62Å; L326-L345 HydrophobicContact CG-CD2 4.25Å; S328-L345 PolarHBondContact O-N 3.46Å; I330-L345 HydrophobicContact CD1-CB 4.24Å; I330-L345 HydrophobicContact CD1-CD1 4.08Å
346E97.8Very high96.7Very high99 Ų9969.1 Ų69.146%0.46339%0.387SS..PPolyproline II helixtrans-67.3138.6-178-65.282.3176.100111.9S328S328-E346 VanDerWaalsContact CB-OE1 3.25Å; S328-E346 WeakPolarHBondContact CB-OE1 3.26Å; S328-E346 VanDerWaalsContact CB-OE2 3.31Å; S328-E346 WeakPolarHBondContact CB-OE2 3.5Å; S328-E346 VanDerWaalsContact OG-CD 3.27Å; S328-E346 PolarHBondContact OG-OE1 2.86Å; S328-E346 PolarHBondContact OG-OE2 3Å
347I97.2Very high96.4Very high14 Ų1470.6 Ų70.67%0.07240%0.398CS..PPolyproline II helixtrans-102.6123.7170.5-61.2175.7000107.7M268 A269 T279 P280 N309 R312M268-I347 HydrophobicContact CB-CD1 4.36Å; M268-I347 HydrophobicContact CG-CD1 4.33Å; M268-I347 HydrophobicContact SD-CD1 4.34Å; A269-I347 HydrophobicContact CB-CG2 4.09Å; A269-I347 WeakPolarHBondContact O-CG2 3.49Å; T279-I347 VanDerWaalsContact CG2-O 3.25Å; T279-I347 WeakPolarHBondContact CG2-O 3.29Å; P280-I347 HydrophobicContact CG-CD1 3.86Å; P280-I347 HydrophobicContact CG-CG1 4.31Å; N309-I347 HydrophobicContact CB-CD1 3.55Å; N309-I347 HydrophobicContact CB-CG1 4.47Å; R312-I347 HydrophobicContact CB-CD1 4.27Å; R312-I347 HydrophobicContact CB-CG1 4.46Å
348S94.8Very high96.2Very high101 Ų10169.3 Ų69.371%0.70639%0.392SS*.PPolyproline II helixtrans-84.3132.3176-68.80000111.1
349P95Very high95.9Very high63 Ų6371.6 Ų71.641%0.40940%0.401SS..PPolyproline II helixtrans-57.7144.2170.8-22.332000111.7T279T279-P349 HydrophobicContact CG2-CG 3.7Å
350S93.8Very high95.4Very high40 Ų4074 Ų7428%0.2841%0.412SS..PPolyproline II helixtrans-76.2162171.368.50000111.7N277 R352N277-S350 PolarHBondContact ND2-O 2.66Å; N277-S350 WeakPolarHBondContact OD1-CB 3.47Å; N277-S350 PolarHBondContact OD1-N 2.92Å; N277-S350 PolarHBondContact OD1-OG 2.84Å; S350-R352 PolarHBondContact O-N 3.19Å; S350-R352 WeakPolarHBondContact OG-CG 3.3Å; S350-R352 PolarHBondContact OG-NE 3.14Å; S350-R352 PolarHBondContact OG-NH2 3.01Å
351C95.6Very high95.3Very high144 Ų14473 Ų7397%0.97340%0.399SS*.SBendtrans-76.226.9176.5-58.90000114.2
352R94.3Very high95.1Very high60 Ų6073.3 Ų73.323%0.22639%0.39CS..  trans-79.5144.2-177.9-73.3-176.8-66143.210111.3C274 S275 F276 N277 S350C274-R352 PolarHBondContact O-NH1 2.87Å; S275-R352 PolarHBondContact O-NH1 3Å; F276-R352 PolarHBondContact O-NH2 2.81Å; N277-R352 PolarHBondContact OD1-NH2 2.91Å; S350-R352 PolarHBondContact O-N 3.19Å; S350-R352 WeakPolarHBondContact OG-CG 3.3Å; S350-R352 PolarHBondContact OG-NE 3.14Å; S350-R352 PolarHBondContact OG-NH2 3.01Å
353P96.4Very high94.8Very high95 Ų9577.2 Ų77.262%0.61740%0.399SS*.  trans-69.7139.6176.329.7-34.2000110.4
354D97.8Very high94.5Very high45 Ų4573.3 Ų73.324%0.24138%0.384CS..  trans-87.4112.1173.6-169.4-15.7000110G233 I234 R238 N356G233-D354 VanDerWaalsContact C-CG 3.5Å; G233-D354 VanDerWaalsContact O-CB 3.23Å; G233-D354 WeakPolarHBondContact O-CB 3.47Å; I234-D354 VanDerWaalsContact CA-CG 3.47Å; I234-D354 WeakPolarHBondContact CA-OD1 3.24Å; I234-D354 WeakPolarHBondContact CA-OD2 3.41Å; I234-D354 PolarHBondContact N-OD1 2.85Å; R238-D354 VanDerWaalsContact CZ-CG 3.4Å; R238-D354 IonicContact CZ-OD1 3.56Å; R238-D354 IonicContact CZ-OD2 3.03Å; R238-D354 IonicContact NE-OD1 3.73Å; R238-D354 IonicContact NE-OD2 2.78Å; R238-D354 PolarHBondContact NE-OD2 3.48Å; R238-D354 VanDerWaalsContact NH2-CB 3.34Å; R238-D354 PolarHBondContact NH2-O 2.96Å; R238-D354 IonicContact NH2-OD1 2.67Å; R238-D354 PolarHBondContact NH2-OD1 2.94Å; R238-D354 IonicContact NH2-OD2 2.84Å; R238-D354 PolarHBondContact NH2-OD2 2.92Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.2Å; D354-N356 WeakPolarHBondContact OD1-CB 3.36Å; D354-N356 PolarHBondContact OD1-N 2.83Å; D354-N356 PolarHBondContact OD1-ND2 2.88Å
355R97.6Very high94.2Very high159 Ų15973.2 Ų73.260%0.638%0.381SS*.  trans-83.8-4-173.1-64.5-169.3176.4177.3-0.9114.1E231 D232 D357E231-R355 HydrophobicContact CB-CB 3.9Å; D232-R355 WeakPolarHBondContact O-CB 3.32Å; D232-R355 PolarHBondContact O-N 3.46Å; D232-R355 IonicContact OD2-NH1 3.87Å; R355-D357 PolarHBondContact O-N 2.85Å
356N96.9Very high93.7Very high0 Ų076 Ų760%040%0.401CS..  trans-79.175.6-178.3-63.3-93.1000112.4E231 D232 R238 D354 L361E231-N356 PolarHBondContact N-OD1 2.67Å; E231-N356 PolarHBondContact O-ND2 2.78Å; D232-N356 PolarHBondContact O-ND2 2.84Å; R238-N356 PolarHBondContact NE-O 3.34Å; R238-N356 PolarHBondContact NH1-O 3.27Å; R238-N356 VanDerWaalsContact NH2-C 3.28Å; R238-N356 PolarHBondContact NH2-O 3.29Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.2Å; D354-N356 WeakPolarHBondContact OD1-CB 3.36Å; D354-N356 PolarHBondContact OD1-N 2.83Å; D354-N356 PolarHBondContact OD1-ND2 2.88Å; N356-L361 HydrophobicContact CB-CD1 3.98Å; N356-L361 HydrophobicContact CB-CD2 4.03Å; N356-L361 HydrophobicContact CB-CG 4.06Å
357D92.4Very high93.2Very high90 Ų9073.9 Ų73.948%0.48140%0.395SS..  trans-58.6149.4-178.58258000113R355 K359 H360 L361R355-D357 PolarHBondContact O-N 2.85Å; D357-K359 PolarHBondContact O-N 3.38Å; D357-K359 WeakPolarHBondContact OD1-CA 3.35Å; D357-K359 WeakPolarHBondContact OD1-CB 3.36Å; D357-K359 PolarHBondContact OD1-N 3.3Å; D357-H360 WeakPolarHBondContact O-CB 3.34Å; D357-H360 PolarHBondContact O-N 3.21Å; D357-H360 VanDerWaalsContact O-N 3.11Å; D357-H360 PolarHBondContact OD1-N 3.37Å; D357-L361 PolarHBondContact O-N 3.09Å
358S93.1Very high92.7Very high73 Ų7373.8 Ų73.851%0.5140%0.395SS..Hα-helixtrans-59.6-32.5-174.7-58.60000113.1L361 E362S358-L361 PolarHBondContact O-N 3.47Å; S358-E362 VanDerWaalsContact O-CB 3.27Å; S358-E362 WeakPolarHBondContact O-CB 3.23Å; S358-E362 WeakPolarHBondContact O-CG 3.43Å; S358-E362 PolarHBondContact O-N 3.46Å
359K91.6Very high92.1Very high162 Ų16272.6 Ų72.670%0.70438%0.377SS*.Hα-helixtrans-72.1-35.3180-64.6178.9179.6176.30111.1D357 R363D357-K359 PolarHBondContact O-N 3.38Å; D357-K359 WeakPolarHBondContact OD1-CA 3.35Å; D357-K359 WeakPolarHBondContact OD1-CB 3.36Å; D357-K359 PolarHBondContact OD1-N 3.3Å; K359-R363 VanDerWaalsContact O-CB 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.42Å; K359-R363 PolarHBondContact O-N 3.43Å
360H89Confident90.8Very high51 Ų5172.4 Ų72.424%0.23639%0.387CS..Hα-helixtrans-64.3-51.5173173.377000110.3D357 E362 R363 V364D357-H360 WeakPolarHBondContact O-CB 3.34Å; D357-H360 PolarHBondContact O-N 3.21Å; D357-H360 VanDerWaalsContact O-N 3.11Å; D357-H360 PolarHBondContact OD1-N 3.37Å; H360-E362 PolarHBondContact O-N 3.5Å; H360-R363 WeakPolarHBondContact O-CA 3.2Å; H360-R363 WeakPolarHBondContact O-CB 3.27Å; H360-R363 PolarHBondContact O-N 3.06Å; H360-R363 VanDerWaalsContact O-N 3.09Å; H360-V364 WeakPolarHBondContact O-CG2 3.37Å; H360-V364 PolarHBondContact O-N 2.91Å
361L92.8Very high89Confident10 Ų1071.7 Ų71.75%0.05238%0.383CS..Hα-helixtrans-62.6-44179.4-66.1-179.9000112.8L230 R238 V242 N356 D357 S358 R363 V364 I365L230-L361 HydrophobicContact CD2-CD2 3.61Å; R238-L361 VanDerWaalsContact CD-CD1 3.47Å; R238-L361 HydrophobicContact CG-CD1 3.46Å; R238-L361 VanDerWaalsContact CG-CD1 3.46Å; V242-L361 HydrophobicContact CG2-CB 4.44Å; V242-L361 HydrophobicContact CG2-CD1 4.05Å; V242-L361 HydrophobicContact CG2-CD2 3.95Å; V242-L361 HydrophobicContact CG2-CG 4.38Å; N356-L361 HydrophobicContact CB-CD1 3.98Å; N356-L361 HydrophobicContact CB-CD2 4.03Å; N356-L361 HydrophobicContact CB-CG 4.06Å; D357-L361 PolarHBondContact O-N 3.09Å; S358-L361 PolarHBondContact O-N 3.47Å; L361-R363 VanDerWaalsContact C-N 3.25Å; L361-R363 PolarHBondContact O-N 3.13Å; L361-V364 PolarHBondContact O-N 3.05Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.48Å; L361-I365 PolarHBondContact O-N 2.94Å
362E92.3Very high86.6Confident130 Ų13067.4 Ų67.461%0.60736%0.363SS*.Hα-helixtrans-59-39.4173.9-77.7170.1-166.600111.3S358 H360 S366S358-E362 VanDerWaalsContact O-CB 3.27Å; S358-E362 WeakPolarHBondContact O-CB 3.23Å; S358-E362 WeakPolarHBondContact O-CG 3.43Å; S358-E362 PolarHBondContact O-N 3.46Å; H360-E362 PolarHBondContact O-N 3.5Å; E362-S366 WeakPolarHBondContact O-CB 3.33Å; E362-S366 PolarHBondContact O-N 3.43Å; E362-S366 PolarHBondContact O-OG 2.79Å; E362-S366 VanDerWaalsContact O-OG 3.13Å
363R90Very high84.3Confident164 Ų16466.3 Ų66.362%0.61936%0.36SS*.Hα-helixtrans-63.7-51.4175.9-171.9-170-46.3-127.3-0.8111.2K359 H360 L361 I365 S366 T367K359-R363 VanDerWaalsContact O-CB 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.42Å; K359-R363 PolarHBondContact O-N 3.43Å; H360-R363 WeakPolarHBondContact O-CA 3.2Å; H360-R363 WeakPolarHBondContact O-CB 3.27Å; H360-R363 PolarHBondContact O-N 3.06Å; H360-R363 VanDerWaalsContact O-N 3.09Å; L361-R363 VanDerWaalsContact C-N 3.25Å; L361-R363 PolarHBondContact O-N 3.13Å; R363-I365 PolarHBondContact O-N 2.86Å; R363-S366 WeakPolarHBondContact CA-OG 3.49Å; R363-S366 CarbonylContact O-C 3.58Å; R363-S366 PolarHBondContact O-N 2.81Å; R363-S366 VanDerWaalsContact O-N 3.15Å; R363-S366 PolarHBondContact O-OG 2.87Å; R363-T367 PolarHBondContact O-N 2.8Å; R363-T367 PolarHBondContact O-OG1 2.64Å
364V89.8Confident81.6Confident6 Ų667.2 Ų67.24%0.03637%0.369CS..Hα-helixtrans-55.2-51.9177.7172.50000110.4V213 I228 P229 H360 L361 S366 T367 V368V213-V364 HydrophobicContact CG2-CG1 4.21Å; I228-V364 HydrophobicContact CG2-CG1 3.97Å; P229-V364 HydrophobicContact CG-CG1 4.49Å; P229-V364 HydrophobicContact CG-CG2 4.2Å; H360-V364 WeakPolarHBondContact O-CG2 3.37Å; H360-V364 PolarHBondContact O-N 2.91Å; L361-V364 PolarHBondContact O-N 3.05Å; V364-S366 VanDerWaalsContact C-N 3.33Å; V364-S366 PolarHBondContact O-N 2.9Å; V364-T367 PolarHBondContact O-N 2.71Å; V364-V368 WeakPolarHBondContact O-CG2 3.39Å; V364-V368 PolarHBondContact O-N 2.88Å
365I91.3Very high79.2Confident26 Ų2670.3 Ų70.313%0.13338%0.377CS..Hα-helixtrans-58.5-46.7177-65.8165.7000110.2V242 L361 R363 T367 V368 K369V242-I365 HydrophobicContact CG1-CG1 4.36Å; V242-I365 HydrophobicContact CG2-CD1 4.23Å; L361-I365 WeakPolarHBondContact O-CB 3.45Å; L361-I365 VanDerWaalsContact O-CG1 3.26Å; L361-I365 WeakPolarHBondContact O-CG1 3.48Å; L361-I365 PolarHBondContact O-N 2.94Å; R363-I365 PolarHBondContact O-N 2.86Å; I365-T367 VanDerWaalsContact C-N 3.31Å; I365-T367 PolarHBondContact O-N 3.13Å; I365-V368 PolarHBondContact O-N 3.49Å; I365-K369 HydrophobicContact CG2-CD 4.02Å; I365-K369 HydrophobicContact CG2-CG 4.17Å; I365-K369 WeakPolarHBondContact O-CB 3.28Å; I365-K369 VanDerWaalsContact O-CG 3.24Å; I365-K369 WeakPolarHBondContact O-CG 3.49Å; I365-K369 PolarHBondContact O-N 2.98Å
366S89.4Confident78.3Confident65 Ų6565.9 Ų65.946%0.45537%0.366SS..Hα-helixtrans-65.8-31.7-179.374.20000113.1E362 R363 V364 G370E362-S366 WeakPolarHBondContact O-CB 3.33Å; E362-S366 PolarHBondContact O-N 3.43Å; E362-S366 PolarHBondContact O-OG 2.79Å; E362-S366 VanDerWaalsContact O-OG 3.13Å; R363-S366 WeakPolarHBondContact CA-OG 3.49Å; R363-S366 CarbonylContact O-C 3.58Å; R363-S366 PolarHBondContact O-N 2.81Å; R363-S366 VanDerWaalsContact O-N 3.15Å; R363-S366 PolarHBondContact O-OG 2.87Å; V364-S366 VanDerWaalsContact C-N 3.33Å; V364-S366 PolarHBondContact O-N 2.9Å; S366-G370 WeakPolarHBondContact O-CA 3.44Å; S366-G370 PolarHBondContact O-N 2.95Å
367T87Confident77.3Confident54 Ų5469.3 Ų69.333%0.33139%0.385SS..Hα-helixtrans-69.2-47.5174.5-59.30000110V213 R363 V364 I365 K369 G370 A371V213-T367 HydrophobicContact CG1-CG2 4.26Å; V213-T367 HydrophobicContact CG2-CG2 3.74Å; R363-T367 PolarHBondContact O-N 2.8Å; R363-T367 PolarHBondContact O-OG1 2.64Å; V364-T367 PolarHBondContact O-N 2.71Å; I365-T367 VanDerWaalsContact C-N 3.31Å; I365-T367 PolarHBondContact O-N 3.13Å; T367-K369 PolarHBondContact O-N 3.29Å; T367-G370 PolarHBondContact O-N 3.11Å; T367-A371 WeakPolarHBondContact O-CB 3.48Å; T367-A371 PolarHBondContact O-N 3.19Å
368V85.3Confident76.5Confident11 Ų1168.2 Ų68.27%0.06738%0.38CS..Hα-helixtrans-57.4-50.8175173.10000109.6V213 V226 V246 V364 I365 F373V213-V368 HydrophobicContact CG2-CG2 4.18Å; V226-V368 HydrophobicContact CG1-CG1 3.65Å; V226-V368 HydrophobicContact CG1-CG2 4.16Å; V246-V368 HydrophobicContact CG1-CG1 4.06Å; V246-V368 HydrophobicContact CG2-CG1 4.28Å; V364-V368 WeakPolarHBondContact O-CG2 3.39Å; V364-V368 PolarHBondContact O-N 2.88Å; I365-V368 PolarHBondContact O-N 3.49Å; V368-F373 HydrophobicContact CG1-CE2 4.46Å; V368-F373 WeakPolarHBondContact O-CE2 3.3Å; V368-F373 WeakPolarHBondContact O-CZ 3.44Å
369K83.6Confident75.5Confident76 Ų7667.9 Ų67.933%0.3337%0.372SS..Hα-helixtrans-67.3-39.6179.3-66.4-161.9175.2-144.60114S245 E249 I365 T367S245-K369 WeakPolarHBondContact O-CE 3.37Å; S245-K369 PolarHBondContact O-NZ 3.48Å; E249-K369 HydrophobicContact CG-CD 4.13Å; E249-K369 HydrophobicContact CG-CG 3.99Å; E249-K369 WeakPolarHBondContact OE1-CE 3.39Å; E249-K369 IonicContact OE1-NZ 2.7Å; E249-K369 PolarHBondContact OE1-NZ 2.79Å; I365-K369 HydrophobicContact CG2-CD 4.02Å; I365-K369 HydrophobicContact CG2-CG 4.17Å; I365-K369 WeakPolarHBondContact O-CB 3.28Å; I365-K369 VanDerWaalsContact O-CG 3.24Å; I365-K369 WeakPolarHBondContact O-CG 3.49Å; I365-K369 PolarHBondContact O-N 2.98Å; T367-K369 PolarHBondContact O-N 3.29Å
370G66.5Low74.5Confident60 Ų6062 Ų6262%0.61935%0.351SS*.Hα-helixtrans-87.6-4.3-169.700000114.2S366 T367 G372S366-G370 WeakPolarHBondContact O-CA 3.44Å; S366-G370 PolarHBondContact O-N 2.95Å; T367-G370 PolarHBondContact O-N 3.11Å; G370-G372 PolarHBondContact O-N 3.01Å
371A56.5Low73.6Confident25 Ų2562.7 Ų62.721%0.20736%0.359CS..THydrogen-bonded Turntrans-57.710.3170.700000114.7W223 T367 F373W223-A371 HydrophobicContact CE3-CB 3.94Å; W223-A371 HydrophobicContact CH2-CB 4.4Å; W223-A371 HydrophobicContact CZ3-CB 3.75Å; T367-A371 WeakPolarHBondContact O-CB 3.48Å; T367-A371 PolarHBondContact O-N 3.19Å; A371-F373 HydrophobicContact CB-CE1 4.46Å; A371-F373 PolarHBondContact O-N 2.78Å
372G44.8Very low72.2Confident54 Ų5466.5 Ų66.556%0.55738%0.381SS*.THydrogen-bonded Turntrans59.852.3171.900000110G370 S374G370-G372 PolarHBondContact O-N 3.01Å; G372-S374 PolarHBondContact O-N 2.93Å
373F46.1Very low70.7Confident37 Ų3761.6 Ų61.616%0.16236%0.364CS..  trans-58.868.8171.4-75-41.3000111.4W223 Q253 V368 A371 W375W223-F373 HydrophobicContact CB-CD1 4.35Å; W223-F373 HydrophobicContact CB-CE1 4.1Å; Q253-F373 HydrophobicContact CG-CB 4.45Å; V368-F373 HydrophobicContact CG1-CE2 4.46Å; V368-F373 WeakPolarHBondContact O-CE2 3.3Å; V368-F373 WeakPolarHBondContact O-CZ 3.44Å; A371-F373 HydrophobicContact CB-CE1 4.46Å; A371-F373 PolarHBondContact O-N 2.78Å; F373-W375 HydrophobicContact CD1-CD2 4.08Å; F373-W375 AromaticContact CD1-CE2 3.15Å; F373-W375 AromaticContact CD1-CH2 3.78Å; F373-W375 HydrophobicContact CD1-CH2 3.78Å; F373-W375 AromaticContact CD1-CZ2 3.02Å; F373-W375 HydrophobicContact CD1-CZ2 3.02Å; F373-W375 HydrophobicContact CD1-CZ3 4.48Å; F373-W375 AromaticContact CD1-NE1 3.29Å; F373-W375 VanDerWaalsContact CD1-NE1 3.29Å; F373-W375 AromaticContact CE1-CE2 3.74Å; F373-W375 AromaticContact CE1-CH2 3.52Å; F373-W375 HydrophobicContact CE1-CH2 3.52Å; F373-W375 AromaticContact CE1-CZ2 3.05Å; F373-W375 HydrophobicContact CE1-CZ2 3.05Å; F373-W375 HydrophobicContact CE1-CZ3 4.47Å; F373-W375 AromaticContact CG-CE2 3.72Å; F373-W375 AromaticContact CG-CZ2 3.84Å; F373-W375 HydrophobicContact CG-CZ2 3.84Å; F373-W375 AromaticContact CG-NE1 3.32Å; F373-W375 VanDerWaalsContact CG-NE1 3.32Å; F373-W375 HydrophobicContact CZ-CH2 4.46Å; F373-W375 AromaticContact CZ-CZ2 3.86Å; F373-W375 HydrophobicContact CZ-CZ2 3.86Å
374S38.9Very low69Low114 Ų11453.1 Ų53.180%0.79734%0.342SS*.  trans-9585.8151.766.10000106.1G372G372-S374 PolarHBondContact O-N 2.93Å
375W49.3Very low67.2Low109 Ų10957.4 Ų57.441%0.41337%0.37SS..  trans-68.50179.4-59.693.2000112.9M195 W223 Y224 Q253 F373M195-W375 HydrophobicContact CE-CH2 3.24Å; M195-W375 HydrophobicContact CE-CZ2 3.63Å; M195-W375 HydrophobicContact CE-CZ3 4Å; W223-W375 HydrophobicContact CB-CE3 4.02Å; W223-W375 HydrophobicContact CB-CH2 3.7Å; W223-W375 HydrophobicContact CB-CZ3 3.35Å; W223-W375 WeakPolarHBondContact O-CH2 3.36Å; W223-W375 WeakPolarHBondContact O-CZ3 3.41Å; Y224-W375 HydrophobicContact CD1-CE3 4.39Å; Y224-W375 HydrophobicContact CD1-CH2 4.37Å; Y224-W375 AromaticContact CD1-CZ3 3.79Å; Y224-W375 HydrophobicContact CD1-CZ3 3.79Å; Y224-W375 AromaticContact CD2-CE3 3.95Å; Y224-W375 HydrophobicContact CD2-CE3 3.95Å; Y224-W375 AromaticContact CD2-CZ3 3.43Å; Y224-W375 HydrophobicContact CD2-CZ3 3.43Å; Y224-W375 VanDerWaalsContact CD2-CZ3 3.43Å; Y224-W375 AromaticContact CE1-CE3 3.89Å; Y224-W375 HydrophobicContact CE1-CE3 3.89Å; Y224-W375 AromaticContact CE1-CZ3 3.77Å; Y224-W375 HydrophobicContact CE1-CZ3 3.77Å; Y224-W375 AromaticContact CE2-CE3 3.35Å; Y224-W375 HydrophobicContact CE2-CE3 3.35Å; Y224-W375 AromaticContact CE2-CZ3 3.36Å; Y224-W375 HydrophobicContact CE2-CZ3 3.36Å; Y224-W375 HydrophobicContact CG-CE3 4.4Å; Y224-W375 HydrophobicContact CG-CH2 4.33Å; Y224-W375 AromaticContact CG-CZ3 3.61Å; Y224-W375 HydrophobicContact CG-CZ3 3.61Å; Y224-W375 AromaticContact CZ-CE3 3.3Å; Y224-W375 AromaticContact CZ-CZ3 3.52Å; Q253-W375 HydrophobicContact CB-CZ2 4.43Å; F373-W375 HydrophobicContact CD1-CD2 4.08Å; F373-W375 AromaticContact CD1-CE2 3.15Å; F373-W375 AromaticContact CD1-CH2 3.78Å; F373-W375 HydrophobicContact CD1-CH2 3.78Å; F373-W375 AromaticContact CD1-CZ2 3.02Å; F373-W375 HydrophobicContact CD1-CZ2 3.02Å; F373-W375 HydrophobicContact CD1-CZ3 4.48Å; F373-W375 AromaticContact CD1-NE1 3.29Å; F373-W375 VanDerWaalsContact CD1-NE1 3.29Å; F373-W375 AromaticContact CE1-CE2 3.74Å; F373-W375 AromaticContact CE1-CH2 3.52Å; F373-W375 HydrophobicContact CE1-CH2 3.52Å; F373-W375 AromaticContact CE1-CZ2 3.05Å; F373-W375 HydrophobicContact CE1-CZ2 3.05Å; F373-W375 HydrophobicContact CE1-CZ3 4.47Å; F373-W375 AromaticContact CG-CE2 3.72Å; F373-W375 AromaticContact CG-CZ2 3.84Å; F373-W375 HydrophobicContact CG-CZ2 3.84Å; F373-W375 AromaticContact CG-NE1 3.32Å; F373-W375 VanDerWaalsContact CG-NE1 3.32Å; F373-W375 HydrophobicContact CZ-CH2 4.46Å; F373-W375 AromaticContact CZ-CZ2 3.86Å; F373-W375 HydrophobicContact CZ-CZ2 3.86Å

Retrieved 375 of 375 residues in 342.4 ms (Link to these results)

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