A0A5K4FEH9_SCHMA Loading...

GCM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 584 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.3Low57.2Low166 Ų166107.2 Ų107.282%0.81854%0.538SS*.  0-154.80-139.7155.4-173.400107.8I3 I4 D5M1-I3 VanDerWaalsContact C-N 3.29Å; M1-I3 PolarHBondContact O-N 3.27Å; M1-I4 PolarHBondContact O-N 2.75Å; M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.25Å
2L50.5Low58.1Low136 Ų136111.5 Ų111.571%0.71255%0.545SS*.THydrogen-bonded Turntrans18.7-64.8-174.2-59.8-173.1000118.6D5 F6L2-D5 WeakPolarHBondContact CA-OD2 3.32Å; L2-D5 PolarHBondContact N-OD2 3.12Å; L2-D5 PolarHBondContact O-N 3.38Å; L2-F6 PolarHBondContact O-N 3.09Å
3I60.5Low60Low128 Ų128113.9 Ų113.966%0.65655%0.545SS*.Hα-helixtrans-55.6-48.5172.9-61.2174.8000111.4M1 D5 F6 Y7M1-I3 VanDerWaalsContact C-N 3.29Å; M1-I3 PolarHBondContact O-N 3.27Å; I3-D5 VanDerWaalsContact C-N 3.35Å; I3-D5 PolarHBondContact O-N 2.82Å; I3-F6 PolarHBondContact O-N 3.48Å; I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.74Å; I3-Y7 VanDerWaalsContact O-CD2 3.27Å; I3-Y7 WeakPolarHBondContact O-CD2 3.35Å; I3-Y7 PolarHBondContact O-N 2.7Å; I3-Y7 VanDerWaalsContact O-N 3.09Å
4I59.9Low61.9Low107 Ų107116.9 Ų116.955%0.54956%0.558SS.*Hα-helixtrans-61.2-47.6178.8-57174.7000109.8M1 F6 Y7 C8M1-I4 PolarHBondContact O-N 2.75Å; I4-F6 VanDerWaalsContact C-N 3.26Å; I4-F6 PolarHBondContact O-N 3.36Å; I4-Y7 PolarHBondContact O-N 2.6Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; I4-C8 PolarHBondContact O-N 2.92Å; I4-C8 PolarHBondContact O-SG 3.29Å; I4-C8 VanDerWaalsContact O-SG 3.4Å
5D50.2Low63.7Low62 Ų62111.2 Ų111.233%0.33254%0.535SS..Hα-helixtrans-59-39.5-177.8-41.4-21000110.5M1 L2 I3 L9M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.25Å; L2-D5 WeakPolarHBondContact CA-OD2 3.32Å; L2-D5 PolarHBondContact N-OD2 3.12Å; L2-D5 PolarHBondContact O-N 3.38Å; I3-D5 VanDerWaalsContact C-N 3.35Å; I3-D5 PolarHBondContact O-N 2.82Å; D5-L9 VanDerWaalsContact O-CG 3.29Å; D5-L9 WeakPolarHBondContact O-CG 3.39Å; D5-L9 PolarHBondContact O-N 2.93Å
6F57.4Low65.2Low136 Ų136113.4 Ų113.460%0.59655%0.549SS*.Hα-helixtrans-70.1-41.1176.1-168.4-99.4000113.5L2 I3 I4 L9 L10L2-F6 PolarHBondContact O-N 3.09Å; I3-F6 PolarHBondContact O-N 3.48Å; I4-F6 VanDerWaalsContact C-N 3.26Å; I4-F6 PolarHBondContact O-N 3.36Å; F6-L9 PolarHBondContact O-N 2.99Å; F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CE1-CD1 3.61Å; F6-L10 HydrophobicContact CZ-CD1 4.12Å; F6-L10 PolarHBondContact O-N 3.14Å
7Y58Low66.5Low124 Ų124109.6 Ų109.649%0.48653%0.534SS..Hα-helixtrans-62.4-43.2174.5-85.6-71.2000111.7I3 I4 L9 L10 L11 L26I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.74Å; I3-Y7 VanDerWaalsContact O-CD2 3.27Å; I3-Y7 WeakPolarHBondContact O-CD2 3.35Å; I3-Y7 PolarHBondContact O-N 2.7Å; I3-Y7 VanDerWaalsContact O-N 3.09Å; I4-Y7 PolarHBondContact O-N 2.6Å; I4-Y7 VanDerWaalsContact O-N 3.15Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.32Å; Y7-L10 PolarHBondContact O-N 2.81Å; Y7-L11 WeakPolarHBondContact O-CG 3.25Å; Y7-L11 PolarHBondContact O-N 2.97Å; Y7-L26 HydrophobicContact CE1-CD2 4.49Å
8C53.8Low67.5Low64 Ų64109.7 Ų109.743%0.43254%0.544SS..Hα-helixtrans-60.8-39.5176.2-68.10000112.6I4 L10I4-C8 PolarHBondContact O-N 2.92Å; I4-C8 PolarHBondContact O-SG 3.29Å; I4-C8 VanDerWaalsContact O-SG 3.4Å; C8-L10 PolarHBondContact O-N 3.39Å
9L57.8Low68.7Low119 Ų119108.4 Ų108.462%0.62356%0.562SS**Hα-helixtrans-72.4-6-179.9-73.7170.5000115.2D5 F6 Y7 R13D5-L9 VanDerWaalsContact O-CG 3.29Å; D5-L9 WeakPolarHBondContact O-CG 3.39Å; D5-L9 PolarHBondContact O-N 2.93Å; F6-L9 PolarHBondContact O-N 2.99Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.32Å; L9-R13 PolarHBondContact O-NE 3.17Å
10L63Low69.8Low70 Ų70105.9 Ų105.937%0.36655%0.554SS.*Hα-helixtrans-104-42.1172.9-68.6174.6000112.1F6 Y7 C8 Y12F6-L10 HydrophobicContact CD1-CD1 4.1Å; F6-L10 HydrophobicContact CE1-CD1 3.61Å; F6-L10 HydrophobicContact CZ-CD1 4.12Å; F6-L10 PolarHBondContact O-N 3.14Å; Y7-L10 PolarHBondContact O-N 2.81Å; C8-L10 PolarHBondContact O-N 3.39Å; L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 PolarHBondContact O-N 3.31Å
11L64.3Low70.7Confident67 Ų67111 Ų11135%0.35157%0.571SS.*Hα-helixtrans-71.4-11.4-174.8-70170.3000115.5Y7 L26Y7-L11 WeakPolarHBondContact O-CG 3.25Å; Y7-L11 PolarHBondContact O-N 2.97Å; L11-L26 HydrophobicContact CD2-CB 3.56Å
12Y67.7Low72.4Confident159 Ų159104.4 Ų104.462%0.62455%0.546SS*.THydrogen-bonded Turntrans-115.411.1-176.6-78.3-87.8000114.3L10L10-Y12 VanDerWaalsContact C-N 3.26Å; L10-Y12 PolarHBondContact O-N 3.31Å
13R82.3Confident74.2Confident143 Ų143105.9 Ų105.954%0.5454%0.542SS..PPolyproline II helixtrans-71.8144.3176.3-66.4-175.3178.9-143.7-3.6111.2L9 R23 L24L9-R13 PolarHBondContact O-NE 3.17Å; R13-R23 CarbonylContact O-C 3.59Å; R13-R23 WeakPolarHBondContact O-CA 3.43Å; R13-L24 HydrophobicContact CB-CB 4.49Å; R13-L24 HydrophobicContact CB-CD1 4.06Å; R13-L24 PolarHBondContact O-N 3.05Å
14E87Confident75.6Confident155 Ų155103 Ų10372%0.72453%0.528SS*.BIsolated β-bridgetrans-71.1156.5172.3-60-173.2153.300110.8I16E14-I16 PolarHBondContact O-N 3.4Å
15C88.5Confident76.9Confident32 Ų32104.5 Ų104.522%0.21654%0.536CS..PPolyproline II helixtrans-68.3127.7179.5-169.40000110.7T17 C20 G22 L24C15-T17 PolarHBondContact O-N 3.09Å; C15-C20 HydrophobicContact CB-CB 3.95Å; C15-C20 VanDerWaalsContact SG-SG 3.61Å; C15-G22 WeakPolarHBondContact CB-O 3.43Å; C15-G22 PolarHBondContact N-O 3.21Å; C15-L24 HydrophobicContact CB-CD2 4.47Å
16I87.7Confident78.7Confident147 Ų147105.7 Ų105.775%0.75454%0.542SS*.  trans-70.9-12.2-179.961.8173.2000113.7E14 P18E14-I16 PolarHBondContact O-N 3.4Å; I16-P18 WeakPolarHBondContact O-CD 3.48Å
17T87.2Confident80.3Confident48 Ų48109.1 Ų109.129%0.29455%0.55SS.*SBendtrans-68.9120.9177.1-57.20000110.4C15 G19 C20 Y136C15-T17 PolarHBondContact O-N 3.09Å; T17-G19 PolarHBondContact O-N 3.42Å; T17-C20 HydrophobicContact CG2-CB 4.28Å; T17-C20 VanDerWaalsContact O-CB 3.25Å; T17-C20 WeakPolarHBondContact O-CB 3.42Å; T17-C20 PolarHBondContact O-N 2.81Å; T17-Y136 WeakPolarHBondContact CG2-OH 3.25Å
18P85.3Confident82Confident111 Ų111108 Ų10872%0.72155%0.553SS**THydrogen-bonded Turntrans-52.7130.5178.6-28.636.4000112.8I16 C20I16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-C20 VanDerWaalsContact C-N 3.28Å; P18-C20 PolarHBondContact O-N 3.49Å
19G89.8Confident84Confident86 Ų86105.8 Ų105.889%0.88754%0.538SS*.THydrogen-bonded Turntrans82.3-12.3-176.900000115.6T17 K21T17-G19 PolarHBondContact O-N 3.42Å; G19-K21 PolarHBondContact O-N 3.3Å
20C90.5Very high85.8Confident58 Ų58107.7 Ų107.739%0.39254%0.537SS..  trans-82.9110.2178.4-172.20000111.7C15 T17 P18 G22C15-C20 HydrophobicContact CB-CB 3.95Å; C15-C20 VanDerWaalsContact SG-SG 3.61Å; T17-C20 HydrophobicContact CG2-CB 4.28Å; T17-C20 VanDerWaalsContact O-CB 3.25Å; T17-C20 WeakPolarHBondContact O-CB 3.42Å; T17-C20 PolarHBondContact O-N 2.81Å; P18-C20 VanDerWaalsContact C-N 3.28Å; P18-C20 PolarHBondContact O-N 3.49Å; C20-G22 PolarHBondContact O-N 2.97Å; C20-G22 VanDerWaalsContact O-N 3.17Å
21K89.6Confident87.4Confident212 Ų212105.4 Ų105.492%0.92253%0.53SS*.  trans-79.216.5173.6-59.6-175.7-179.9-179.50113.9G19G19-K21 PolarHBondContact O-N 3.3Å
22G90Very high88.9Confident28 Ų28105 Ų10529%0.28953%0.526SS..  trans-73.5169.3-179.200000113.1C15 C20C15-G22 WeakPolarHBondContact CB-O 3.43Å; C15-G22 PolarHBondContact N-O 3.21Å; C20-G22 PolarHBondContact O-N 2.97Å; C20-G22 VanDerWaalsContact O-N 3.17Å
23R88.3Confident90.2Very high167 Ų167102.2 Ų102.263%0.6353%0.53SS*.BIsolated β-bridgetrans-113.2145.7169.9-66.3-177.3178.9-178.7-0.9110.3R13 I25R13-R23 CarbonylContact O-C 3.59Å; R13-R23 WeakPolarHBondContact O-CA 3.43Å; R23-I25 PolarHBondContact O-N 3.41Å
24L88.6Confident90.9Very high67 Ų6797.7 Ų97.735%0.35153%0.528SS..  trans-78.4109.7179.1-63.4-179.7000110.5R13 C15R13-L24 HydrophobicContact CB-CB 4.49Å; R13-L24 HydrophobicContact CB-CD1 4.06Å; R13-L24 PolarHBondContact O-N 3.05Å; C15-L24 HydrophobicContact CB-CD2 4.47Å
25I87.7Confident91.3Very high140 Ų14097.9 Ų97.972%0.71852%0.523SS*.  trans-93.9125.6173.2-58.1174.7000108.3R23 R27R23-I25 PolarHBondContact O-N 3.41Å; I25-R27 PolarHBondContact O-N 2.77Å
26L88.4Confident91.7Very high87 Ų8799.9 Ų99.946%0.45554%0.536SS..  trans-69.6124172.3-175.664000109.5Y7 L11Y7-L26 HydrophobicContact CE1-CD2 4.49Å; L11-L26 HydrophobicContact CD2-CB 3.56Å
27R90.8Very high92.1Very high207 Ų20793.7 Ų93.778%0.78151%0.505SS*.  trans-87111.3165-72.8-70.2-177.5167-0.6108.4I25I25-R27 PolarHBondContact O-N 2.77Å
28N93Very high92.6Very high101 Ų10193.8 Ų93.854%0.5451%0.505SS..  trans-71.6140.8171.9-66.956.2000110
29C95.8Very high93.1Very high17 Ų1793.4 Ų93.412%0.11549%0.494CS..  trans-72.2138.7166.1-175.20000110.7P36 V37 D57 H58C29-P36 HydrophobicContact CB-CB 4.19Å; C29-P36 WeakPolarHBondContact O-CA 3.45Å; C29-P36 WeakPolarHBondContact O-CG 3.49Å; C29-V37 PolarHBondContact SG-N 3.38Å; C29-V37 VanDerWaalsContact SG-N 3.36Å; C29-D57 VanDerWaalsContact CA-OD1 3.25Å; C29-D57 WeakPolarHBondContact CA-OD1 3.21Å; C29-D57 PolarHBondContact SG-OD1 3.46Å; C29-H58 VanDerWaalsContact CB-CD2 3.46Å; C29-H58 WeakPolarHBondContact CB-CD2 3.48Å
30R96.3Very high93.5Very high160 Ų16094.3 Ų94.360%0.60447%0.473SS*.  trans-131.210.3173.3-61.7-174.1171.1-176.9-4.7112.9H32 G34 Y35 D57R30-H32 PolarHBondContact O-N 3.02Å; R30-G34 WeakPolarHBondContact CB-O 3.46Å; R30-G34 WeakPolarHBondContact CG-O 3.37Å; R30-G34 CarbonylContact O-C 3.57Å; R30-G34 VanDerWaalsContact O-CA 3.28Å; R30-G34 WeakPolarHBondContact O-CA 3.41Å; R30-G34 PolarHBondContact O-N 2.93Å; R30-Y35 CarbonylContact C-O 3.59Å; R30-Y35 VanDerWaalsContact CA-O 3.22Å; R30-Y35 WeakPolarHBondContact CA-O 3.43Å; R30-D57 WeakPolarHBondContact CA-OD2 3.3Å; R30-D57 WeakPolarHBondContact CB-OD2 3.13Å; R30-D57 PolarHBondContact N-OD1 3.37Å; R30-D57 PolarHBondContact N-OD2 3.44Å
31G96Very high93.8Very high22 Ų22100.7 Ų100.723%0.22749%0.489CS..THydrogen-bonded Turntrans-55.4-11-176.900000119.5Y35 G54 E55 D57G31-Y35 PolarHBondContact N-O 3.33Å; G31-G54 VanDerWaalsContact O-CA 3.26Å; G31-G54 WeakPolarHBondContact O-CA 3.45Å; G31-E55 WeakPolarHBondContact CA-O 3.39Å; G31-E55 PolarHBondContact O-N 3.42Å; G31-E55 VanDerWaalsContact O-N 3.11Å; G31-D57 PolarHBondContact N-OD1 3.26Å
32H96.4Very high94.1Very high59 Ų5999.3 Ų99.327%0.27348%0.478SS..BIsolated β-bridgetrans-113.187.1170.1-175.728000110.4R30 G34 Y35 K53R30-H32 PolarHBondContact O-N 3.02Å; H32-G34 PolarHBondContact O-N 3.1Å; H32-G34 VanDerWaalsContact O-N 3.12Å; H32-Y35 PolarHBondContact N-O 3.4Å; H32-Y35 WeakPolarHBondContact O-CA 3.44Å; H32-Y35 WeakPolarHBondContact O-CB 3.43Å; H32-Y35 PolarHBondContact O-N 3.12Å; H32-K53 VanDerWaalsContact NE2-CE 3.31Å; H32-K53 WeakPolarHBondContact NE2-CE 3.27Å
33S95.5Very high94.5Very high100 Ų100105 Ų10570%0.69950%0.496SS*.THydrogen-bonded Turntrans5434.5174.6-51.40000114
34G95.8Very high94.8Very high48 Ų4898.1 Ų98.150%0.49547%0.474SS..THydrogen-bonded Turntrans98.5-13.5-175.900000114.8R30 H32R30-G34 WeakPolarHBondContact CB-O 3.46Å; R30-G34 WeakPolarHBondContact CG-O 3.37Å; R30-G34 CarbonylContact O-C 3.57Å; R30-G34 VanDerWaalsContact O-CA 3.28Å; R30-G34 WeakPolarHBondContact O-CA 3.41Å; R30-G34 PolarHBondContact O-N 2.93Å; H32-G34 PolarHBondContact O-N 3.1Å; H32-G34 VanDerWaalsContact O-N 3.12Å
35Y95.8Very high95.2Very high158 Ų158102.5 Ų102.562%0.6250%0.498SS*.BIsolated β-bridgetrans-100.6159.4177.9-60.3-89.3000111.6R30 G31 H32R30-Y35 CarbonylContact C-O 3.59Å; R30-Y35 VanDerWaalsContact CA-O 3.22Å; R30-Y35 WeakPolarHBondContact CA-O 3.43Å; G31-Y35 PolarHBondContact N-O 3.33Å; H32-Y35 PolarHBondContact N-O 3.4Å; H32-Y35 WeakPolarHBondContact O-CA 3.44Å; H32-Y35 WeakPolarHBondContact O-CB 3.43Å; H32-Y35 PolarHBondContact O-N 3.12Å
36P96.9Very high95.5Very high74 Ų7498.7 Ų98.748%0.48149%0.493SS..PPolyproline II helixtrans-58.3143.8173.9-22.833.2000112.3C29 T38C29-P36 HydrophobicContact CB-CB 4.19Å; C29-P36 WeakPolarHBondContact O-CA 3.45Å; C29-P36 WeakPolarHBondContact O-CG 3.49Å; P36-T38 PolarHBondContact O-N 3.26Å
37V96.6Very high95.9Very high18 Ų1896.4 Ų96.411%0.10949%0.486CS..PPolyproline II helixtrans-54.9133.9168.7172.50000110C29 K53 G54 E55C29-V37 PolarHBondContact SG-N 3.38Å; C29-V37 VanDerWaalsContact SG-N 3.36Å; V37-K53 WeakPolarHBondContact CA-O 3.29Å; V37-G54 VanDerWaalsContact CG2-C 3.49Å; V37-E55 WeakPolarHBondContact CG2-O 3.46Å
38T96.8Very high96.2Very high49 Ų4989.7 Ų89.730%0.30147%0.469SS..EExtended strand (participates in β ladder)trans-112141.7178.5570000110.9P36 F40 A52 K53P36-T38 PolarHBondContact O-N 3.26Å; T38-F40 WeakPolarHBondContact OG1-CE2 3.24Å; T38-A52 CarbonylContact O-C 3.56Å; T38-A52 WeakPolarHBondContact O-CA 3.41Å; T38-K53 PolarHBondContact N-O 3.25Å; T38-K53 PolarHBondContact O-N 2.77Å
39H97.1Very high96.3Very high103 Ų10390.8 Ų90.848%0.47747%0.466SS..EExtended strand (participates in β ladder)trans-114141.5170.6-56.1-69.5000110.4E51 A52 H56H39-E51 CarbonylContact C-O 2.95Å; H39-E51 WeakPolarHBondContact CA-O 3.29Å; H39-A52 WeakPolarHBondContact ND1-CB 3.37Å; H39-H56 AromaticContact CE1-NE2 3.95Å; H39-H56 AromaticContact NE2-NE2 3.66Å
40F96.9Very high96.4Very high105 Ų10595.6 Ų95.646%0.46149%0.485SS..EExtended strand (participates in β ladder)trans-118.9146.5173.7-52.7-85.2000109T38 F50 E51 K53T38-F40 WeakPolarHBondContact OG1-CE2 3.24Å; F40-F50 WeakPolarHBondContact O-CA 3.45Å; F40-E51 HydrophobicContact CB-CB 4.35Å; F40-E51 PolarHBondContact N-O 2.85Å; F40-E51 PolarHBondContact O-N 3.43Å; F40-K53 HydrophobicContact CE2-CB 4.35Å
41W97.1Very high96.3Very high192 Ų19293.8 Ų93.873%0.72748%0.483SS*.EExtended strand (participates in β ladder)trans-136.1139.1171.25679.6000110.4V48 Y49 F50W41-V48 HydrophobicContact CB-CG1 4.17Å; W41-Y49 CarbonylContact C-O 3.44Å; W41-Y49 VanDerWaalsContact CA-O 3.24Å; W41-Y49 WeakPolarHBondContact CA-O 3.44Å; W41-F50 HydrophobicContact CB-CD1 3.79Å; W41-F50 HydrophobicContact CB-CE1 3.84Å
42R96.7Very high96.4Very high184 Ų18495.6 Ų95.669%0.69450%0.496SS*.EExtended strand (participates in β ladder)trans-133.5123.8179.7-179.1178.2178.4-178.2-0.7109.6Y49R42-Y49 PolarHBondContact N-O 3.35Å; R42-Y49 PolarHBondContact O-N 3.26Å
43F97.4Very high96.4Very high148 Ų14897.5 Ų97.565%0.64950%0.504SS*.EExtended strand (participates in β ladder)trans-81.9125.9165.9-175.9-106.1000109.6A47 V48F43-A47 WeakPolarHBondContact CA-O 3.45Å; F43-A47 WeakPolarHBondContact CD2-O 3.46Å; F43-V48 HydrophobicContact CD2-CG2 3.98Å
44A95.2Very high96.4Very high21 Ų2194.4 Ų94.417%0.17449%0.488CS..EExtended strand (participates in β ladder)trans-156149.4174.100000109.7G46 A47 Y49A44-G46 PolarHBondContact O-N 3.25Å; A44-A47 PolarHBondContact N-O 2.81Å; A44-A47 PolarHBondContact O-N 3.22Å; A44-Y49 HydrophobicContact CB-CD2 4.21Å; A44-Y49 HydrophobicContact CB-CE2 3.91Å
45N95.7Very high96.5Very high160 Ų16099.9 Ų99.986%0.85650%0.5SS*.THydrogen-bonded Turntrans51.728.6173.4-56.72000115.1A47N45-A47 VanDerWaalsContact C-N 3.32Å
46G95.5Very high96.5Very high60 Ų6096.8 Ų96.862%0.61949%0.491SS*.THydrogen-bonded Turntrans84.7-6.1-176.700000115.5A44A44-G46 PolarHBondContact O-N 3.25Å
47A96Very high96.4Very high38 Ų3897.3 Ų97.331%0.31449%0.49SS..EExtended strand (participates in β ladder)trans-110.2160.218000000112.5F43 A44 N45 Y49F43-A47 WeakPolarHBondContact CA-O 3.45Å; F43-A47 WeakPolarHBondContact CD2-O 3.46Å; A44-A47 PolarHBondContact N-O 2.81Å; A44-A47 PolarHBondContact O-N 3.22Å; N45-A47 VanDerWaalsContact C-N 3.32Å; A47-Y49 HydrophobicContact CB-CE2 4.08Å
48V96.9Very high96.3Very high67 Ų6799 Ų9941%0.40650%0.497SS..EExtended strand (participates in β ladder)trans-104.7117.5165.2-1740000108.4W41 F43 F50W41-V48 HydrophobicContact CB-CG1 4.17Å; F43-V48 HydrophobicContact CD2-CG2 3.98Å; V48-F50 HydrophobicContact CB-CE2 3.88Å; V48-F50 HydrophobicContact CB-CZ 4.12Å; V48-F50 HydrophobicContact CG1-CD2 4.17Å; V48-F50 HydrophobicContact CG1-CE1 3.96Å; V48-F50 HydrophobicContact CG1-CE2 3.55Å; V48-F50 HydrophobicContact CG1-CZ 3.44Å; V48-F50 VanDerWaalsContact CG1-CZ 3.44Å
49Y96.4Very high96.1Very high124 Ų124104 Ų10449%0.48652%0.522SS..EExtended strand (participates in β ladder)trans-87.3142.2170.9-61.4-95.4000108.9W41 R42 A44 A47W41-Y49 CarbonylContact C-O 3.44Å; W41-Y49 VanDerWaalsContact CA-O 3.24Å; W41-Y49 WeakPolarHBondContact CA-O 3.44Å; R42-Y49 PolarHBondContact N-O 3.35Å; R42-Y49 PolarHBondContact O-N 3.26Å; A44-Y49 HydrophobicContact CB-CD2 4.21Å; A44-Y49 HydrophobicContact CB-CE2 3.91Å; A47-Y49 HydrophobicContact CB-CE2 4.08Å
50F96.2Very high95.9Very high118 Ų118108.3 Ų108.352%0.51853%0.534SS..EExtended strand (participates in β ladder)trans-126.7139.9177.8-64.7-87.2000109.9F40 W41 V48F40-F50 WeakPolarHBondContact O-CA 3.45Å; W41-F50 HydrophobicContact CB-CD1 3.79Å; W41-F50 HydrophobicContact CB-CE1 3.84Å; V48-F50 HydrophobicContact CB-CE2 3.88Å; V48-F50 HydrophobicContact CB-CZ 4.12Å; V48-F50 HydrophobicContact CG1-CD2 4.17Å; V48-F50 HydrophobicContact CG1-CE1 3.96Å; V48-F50 HydrophobicContact CG1-CE2 3.55Å; V48-F50 HydrophobicContact CG1-CZ 3.44Å; V48-F50 VanDerWaalsContact CG1-CZ 3.44Å
51E96.1Very high95.5Very high121 Ų121107.8 Ų107.857%0.56554%0.541SS*.EExtended strand (participates in β ladder)trans-136.3147.4177.3-169.8-171.3141.600108.6H39 F40H39-E51 CarbonylContact C-O 2.95Å; H39-E51 WeakPolarHBondContact CA-O 3.29Å; F40-E51 HydrophobicContact CB-CB 4.35Å; F40-E51 PolarHBondContact N-O 2.85Å; F40-E51 PolarHBondContact O-N 3.43Å
52A96.3Very high95Very high60 Ų60103 Ų10350%0.49654%0.537SS..EExtended strand (participates in β ladder)trans-132.2146.1177.400000109.8T38 H39T38-A52 CarbonylContact O-C 3.56Å; T38-A52 WeakPolarHBondContact O-CA 3.41Å; H39-A52 WeakPolarHBondContact ND1-CB 3.37Å
53K97Very high94.3Very high99 Ų9999.8 Ų99.843%0.4353%0.533SS..EExtended strand (participates in β ladder)trans-129.2117.2-179.7-158179.5-174.1-158.40111.1H32 V37 T38 F40H32-K53 VanDerWaalsContact NE2-CE 3.31Å; H32-K53 WeakPolarHBondContact NE2-CE 3.27Å; V37-K53 WeakPolarHBondContact CA-O 3.29Å; T38-K53 PolarHBondContact N-O 3.25Å; T38-K53 PolarHBondContact O-N 2.77Å; F40-K53 HydrophobicContact CE2-CB 4.35Å
54G96.1Very high92.9Very high36 Ų36101.4 Ų101.437%0.37154%0.54SS..SBendtrans88.6170.2-171.200000113.6G31 V37G31-G54 VanDerWaalsContact O-CA 3.26Å; G31-G54 WeakPolarHBondContact O-CA 3.45Å; V37-G54 VanDerWaalsContact CG2-C 3.49Å
55E96.6Very high90.7Very high162 Ų162104 Ų10476%0.75755%0.553SS**  trans-118.7140.4-176.5-167.7-160160.900110.8G31 V37 D57G31-E55 WeakPolarHBondContact CA-O 3.39Å; G31-E55 PolarHBondContact O-N 3.42Å; G31-E55 VanDerWaalsContact O-N 3.11Å; V37-E55 WeakPolarHBondContact CG2-O 3.46Å; E55-D57 PolarHBondContact O-N 3.49Å
56H96.7Very high88.3Confident93 Ų93106 Ų10643%0.43156%0.555SS.*  trans-71.399.8-174-74.2-77.7000113.6H39 H58H39-H56 AromaticContact CE1-NE2 3.95Å; H39-H56 AromaticContact NE2-NE2 3.66Å; H56-H58 AromaticContact CG-NE2 3.85Å; H56-H58 AromaticContact ND1-CE1 3.71Å; H56-H58 AromaticContact ND1-NE2 3.05Å; H56-H58 PolarHBondContact ND1-NE2 3.29Å; H56-H58 PolarHBondContact O-N 3.25Å
57D94.8Very high85.7Confident86 Ų86106.9 Ų106.946%0.4656%0.564SS.*  trans-67.920.6175.167.8-48000115.5C29 R30 G31 E55C29-D57 VanDerWaalsContact CA-OD1 3.25Å; C29-D57 WeakPolarHBondContact CA-OD1 3.21Å; C29-D57 PolarHBondContact SG-OD1 3.46Å; R30-D57 WeakPolarHBondContact CA-OD2 3.3Å; R30-D57 WeakPolarHBondContact CB-OD2 3.13Å; R30-D57 PolarHBondContact N-OD1 3.37Å; R30-D57 PolarHBondContact N-OD2 3.44Å; G31-D57 PolarHBondContact N-OD1 3.26Å; E55-D57 PolarHBondContact O-N 3.49Å
58H93.8Very high83.1Confident53 Ų53111.4 Ų111.425%0.24558%0.583CS.*SBendtrans-148.2153.1-175.764.881000112.1C29 H56 R60C29-H58 VanDerWaalsContact CB-CD2 3.46Å; C29-H58 WeakPolarHBondContact CB-CD2 3.48Å; H56-H58 AromaticContact CG-NE2 3.85Å; H56-H58 AromaticContact ND1-CE1 3.71Å; H56-H58 AromaticContact ND1-NE2 3.05Å; H56-H58 PolarHBondContact ND1-NE2 3.29Å; H56-H58 PolarHBondContact O-N 3.25Å; H58-R60 PolarHBondContact O-N 3.34Å
59N92.6Very high80.3Confident153 Ų153112 Ų11282%0.81859%0.59SS**PPolyproline II helixtrans-51.9135.5173.5-62.119.1000110.7
60R92.7Very high78.1Confident194 Ų194113 Ų11373%0.73260%0.599SS**PPolyproline II helixtrans-59.4127.3177.3-172.1179.2-176.3-130.86.6109.7H58H58-R60 PolarHBondContact O-N 3.34Å
61P89.9Confident75.6Confident95 Ų95111.9 Ų111.962%0.61760%0.602SS**PPolyproline II helixtrans-66.6158.3176.728.9-35.4000111.1
62S85.3Confident73Confident91 Ų91112.4 Ų112.464%0.63661%0.608SS**PPolyproline II helixtrans-60.1141.2170.6520000110.8K64S62-K64 PolarHBondContact O-N 3.19Å
63L82.6Confident70.3Confident117 Ų117115.8 Ų115.861%0.61362%0.623SS**PPolyproline II helixtrans-66.9132.2174.4-73.8163.5000108.9T65L63-T65 PolarHBondContact O-N 3.43Å
64K68.4Low67.6Low182 Ų182116 Ų11679%0.79163%0.632SS**  trans-70.693.7171.4-70.4-178-179.6176.20109.1S62 F66S62-K64 PolarHBondContact O-N 3.19Å; K64-F66 VanDerWaalsContact O-CD2 3.27Å; K64-F66 WeakPolarHBondContact O-CD2 3.46Å; K64-F66 PolarHBondContact O-N 3.27Å
65T49.4Very low64.7Low74 Ų74119.9 Ų119.945%0.45465%0.649SS.*  trans-66.798.9173.7-53.90000109.5L63 G67 L68L63-T65 PolarHBondContact O-N 3.43Å; T65-G67 PolarHBondContact O-N 3.08Å; T65-L68 HydrophobicContact CG2-CB 3.78Å; T65-L68 HydrophobicContact CG2-CD1 3.98Å; T65-L68 HydrophobicContact CG2-CG 3.99Å; T65-L68 PolarHBondContact O-N 2.99Å
66F45.1Very low61.6Low202 Ų202117.4 Ų117.489%0.88665%0.645SS**THydrogen-bonded Turntrans-62103.2-178.3-68.2-88.4000111K64K64-F66 VanDerWaalsContact O-CD2 3.27Å; K64-F66 WeakPolarHBondContact O-CD2 3.46Å; K64-F66 PolarHBondContact O-N 3.27Å
67G40.9Very low58.7Low80 Ų80120.3 Ų120.383%0.82567%0.67SS**THydrogen-bonded Turntrans99.71.5173.600000116.4T65T65-G67 PolarHBondContact O-N 3.08Å
68L42.2Very low55.9Low133 Ų133121.3 Ų121.370%0.69668%0.679SS**  trans-109.8113.7162.5-62.1-176.9000108.7T65T65-L68 HydrophobicContact CG2-CB 3.78Å; T65-L68 HydrophobicContact CG2-CD1 3.98Å; T65-L68 HydrophobicContact CG2-CG 3.99Å; T65-L68 PolarHBondContact O-N 2.99Å
69S37.3Very low53.1Low80 Ų80123.8 Ų123.856%0.55970%0.698SS**  trans-72.2125.8169.943.90000109.6T71S69-T71 WeakPolarHBondContact CB-OG1 3.4Å; S69-T71 PolarHBondContact O-N 3.46Å; S69-T71 PolarHBondContact O-OG1 2.94Å; S69-T71 PolarHBondContact OG-OG1 3.04Å; S69-T71 VanDerWaalsContact OG-OG1 3.09Å
70E50.6Low50.3Low144 Ų144124 Ų12467%0.67371%0.705SS**THydrogen-bonded Turntrans-74.365.8170.6-65.6-178.2141.100109.8
71T42.7Very low47.6Very low94 Ų94119.9 Ų119.958%0.57770%0.701SS**THydrogen-bonded Turntrans-122.8-18.2179.545.40000112.9S69S69-T71 WeakPolarHBondContact CB-OG1 3.4Å; S69-T71 PolarHBondContact O-N 3.46Å; S69-T71 PolarHBondContact O-OG1 2.94Å; S69-T71 PolarHBondContact OG-OG1 3.04Å; S69-T71 VanDerWaalsContact OG-OG1 3.09Å
72D41.5Very low44.9Very low132 Ų132121.8 Ų121.871%0.70671%0.712SS**SBendtrans-103.77.3-163.3-61.916.5000112.6V74D72-V74 PolarHBondContact O-N 3.41Å
73T40Very low42.6Very low131 Ų131124.2 Ų124.280%0.80472%0.716SS**  trans-98.240.5178.6450000113.2
74V40.6Very low40.2Very low104 Ų104124.2 Ų124.263%0.6372%0.723SS**SBendtrans-124.9124.1167.3-178.40000108.5D72D72-V74 PolarHBondContact O-N 3.41Å
75T34.5Very low38.7Very low118 Ų118121.9 Ų121.972%0.72472%0.719SS**SBendtrans68.9108.4-166.6-18.50000110.7
76T31.2Very low37.9Very low110 Ų110124.9 Ų124.968%0.67574%0.738SS**  -157.198.954.9-57.70000111.2T78T76-T78 VanDerWaalsContact CG2-OG1 3.32Å; T76-T78 WeakPolarHBondContact CG2-OG1 3.27Å
77T35.6Very low37.7Very low154 Ų154123.3 Ų123.395%0.94574%0.735SS**  trans-10547.4165.2-31.90000110T79T77-T79 PolarHBondContact O-N 3.32Å; T77-T79 VanDerWaalsContact O-N 3.12Å
78T36Very low37.4Very low106 Ų106126.3 Ų126.365%0.6573%0.732SS**  trans-75.2102.4-177.5-54.60000110.1T76T76-T78 VanDerWaalsContact CG2-OG1 3.32Å; T76-T78 WeakPolarHBondContact CG2-OG1 3.27Å
79T35.6Very low37.2Very low105 Ų105127.4 Ų127.464%0.64474%0.738SS**  trans40.593.6152.3-30.50000115.9T77 T81T77-T79 PolarHBondContact O-N 3.32Å; T77-T79 VanDerWaalsContact O-N 3.12Å; T79-T81 VanDerWaalsContact C-N 3.28Å; T79-T81 VanDerWaalsContact CG2-OG1 3.25Å; T79-T81 WeakPolarHBondContact CG2-OG1 3.34Å; T79-T81 PolarHBondContact O-N 3.27Å; T79-T81 PolarHBondContact O-OG1 3.05Å
80T33.7Very low37Very low158 Ų158130.5 Ų130.597%0.96975%0.748SS**  trans-59.788.3168.2-17.80000110.2
81T35.8Very low36.3Very low107 Ų107129.3 Ų129.366%0.65675%0.75SS**  trans-117.6114-175-35.60000107.7T79 I83T79-T81 VanDerWaalsContact C-N 3.28Å; T79-T81 VanDerWaalsContact CG2-OG1 3.25Å; T79-T81 WeakPolarHBondContact CG2-OG1 3.34Å; T79-T81 PolarHBondContact O-N 3.27Å; T79-T81 PolarHBondContact O-OG1 3.05Å; T81-I83 PolarHBondContact O-N 2.92Å
82T33.3Very low35.9Very low135 Ų135131.2 Ų131.283%0.82876%0.762SS**  trans-66.9116.9-169.848.90000112.7
83I37.2Very low35.7Very low142 Ų142130.9 Ų130.973%0.72877%0.765SS**  trans-133.3104.9158.1-54.8-179.9000107.9T81T81-I83 PolarHBondContact O-N 2.92Å
84P31.6Very low35.4Very low117 Ų117128.5 Ų128.576%0.7676%0.759SS**  trans-79.9135169.532.6-31.2000109.7
85N36.9Very low35.2Very low133 Ų133129.8 Ų129.871%0.71177%0.767SS**  trans-140.1106.2166.9-91.8-41.9000109.7
86T34.3Very low35.4Very low137 Ų137130.5 Ų130.584%0.8477%0.771SS**  trans-73.2127.5165.5340000109.7
87M40.1Very low35.6Very low169 Ų169131.1 Ų131.183%0.83378%0.777SS**  trans-127.5105.4163.6-66.9-166.9-170.900108.8
88N34.5Very low35.8Very low143 Ų143130.2 Ų130.277%0.76577%0.771SS**  trans-70.5134.1169.2-73.4-9.6000109.1
89L37.7Very low35.8Very low157 Ų157132.2 Ų132.282%0.82278%0.778SS**  trans-112.180.9167.9-143.579.8000110V91L89-V91 PolarHBondContact O-N 3.11Å
90N33.5Very low36.1Very low144 Ų144133.1 Ų133.177%0.7778%0.783SS**  trans-73.5116.1167.3-81.79.7000108.9
91V36.8Very low36.3Very low119 Ų119131.8 Ų131.872%0.72177%0.771SS**  trans-104.6108.5170-179.90000108.7L89L89-V91 PolarHBondContact O-N 3.11Å
92T32.9Very low36.5Very low134 Ų134131.4 Ų131.482%0.82277%0.772SS**  trans-87.7113.7-177.1-57.40000111.4
93T37.3Very low36.8Very low126 Ų126132 Ų13277%0.77377%0.77SS**  trans-13994.6167-34.60000112.4
94A34.1Very low36.9Very low80 Ų80130.9 Ų130.966%0.66177%0.769SS**  trans24.2117155.200000120.9
95T37.1Very low37.2Very low131 Ų131131.5 Ų131.580%0.80477%0.771SS**  171.1159.810235.70000112.7
96T38.3Very low37.3Very low134 Ų134128.3 Ų128.382%0.82277%0.769SS**  trans56.5114.1168.753.80000119.8
97P35.3Very low37.6Very low123 Ų123129.1 Ų129.180%0.79977%0.767SS**  trans-113.1148.8172.138.4-29.3000114.5
98T39.3Very low37.5Very low134 Ų134126.6 Ų126.682%0.82276%0.761SS**  trans-147.9110.5162.248.30000113.8
99N37Very low37.4Very low148 Ų148125.5 Ų125.579%0.79176%0.76SS**  trans55.1130.4142.8-81-16.3000124.2
100V41Very low37.2Very low124 Ų124123.5 Ų123.575%0.75275%0.754SS**  trans63.2145.9143.8-52.70000119.8
101D38.5Very low37.4Very low131 Ų131122 Ų12270%0.70175%0.751SS**  cis-154.3164.5-1.9-135.3-47000113.2
102S40.3Very low37.2Very low98 Ų98123.7 Ų123.769%0.68575%0.754SS**  trans32.5152.3141.7-71.70000124.1
103L39.4Very low37.4Very low149 Ų149123.8 Ų123.878%0.7876%0.755SS**  cis-179.1146.4-9.4174.265000111.4
104V39.7Very low37.3Very low118 Ų118124 Ų12472%0.71576%0.755SS**  trans63.9138161.9156.90000118.4
105T36.9Very low37.5Very low130 Ų130125.7 Ų125.780%0.79876%0.76SS**  cis109.7120.917.8-55.50000114.2
106G39.8Very low37.5Very low66 Ų66126.7 Ų126.768%0.6877%0.765SS**  trans14996.1173.300000114
107I40.6Very low37.1Very low153 Ų153125.3 Ų125.379%0.78576%0.761SS**  94.297.175.3-70.8166.7000114.6
108T37.4Very low37.3Very low117 Ų117124 Ų12472%0.71875%0.753SS**  trans46.2126.2147.354.10000125
109T32.7Very low36.9Very low120 Ų120124.2 Ų124.274%0.73675%0.749SS**  53.2133.2122.7-20.10000119
110T34.2Very low36.9Very low115 Ų115124.8 Ų124.871%0.70675%0.75SS**  cis-171.7178.747.7-36.30000112.7
111T36.6Very low36.6Very low113 Ų113126.8 Ų126.869%0.69375%0.749SS**  trans75.795.1152.732.70000122.1
112I33.2Very low36.2Very low153 Ų153130 Ų13079%0.78575%0.751SS**  38.2118.1120.2-53.7167000119.3
113T36Very low35.8Very low137 Ų137131.8 Ų131.884%0.8475%0.753SS**  -162.7161.4128.63.60000111.3
114T36Very low35.4Very low129 Ų129132.6 Ų132.679%0.79176%0.758SS**  trans-135.5-177-177.3580000110.1
115P38.5Very low34.9Very low116 Ų116134.4 Ų134.475%0.75376%0.763SS**  -124.1160.5-78.937.7-23.3000113.3
116V37.1Very low34.4Very low152 Ų152137.1 Ų137.192%0.92177%0.766SS**  trans-139.5140.9172.4-178.40000110.9
117S30.4Very low33.9Very low105 Ų105142.1 Ų142.173%0.73478%0.776SS**  trans-115.6167.7174.8-1420000108
118P39.7Very low33.4Very low96 Ų96139.5 Ų139.562%0.62377%0.768SS**  cis-146.8-167.923.944.4-23.3000117.2
119D29.4Very low33Very low139 Ų139140.3 Ų140.374%0.74377%0.768SS**  trans60.7123.8152.9-63.9-34000121.7
120I38.7Very low32.9Very low160 Ų160142.1 Ų142.182%0.82177%0.768SS**  -170.1116.3115.1-95.3155.5000111.6
121K34.6Very low32.7Very low165 Ų165141.9 Ų141.972%0.71776%0.762SS**  trans31.1121.5146.4-67.2172.3-178.6166.60121.7
122R29.9Very low32.4Very low198 Ų198143.9 Ų143.975%0.74777%0.769SS**  114.6133.2109.5-92.6-178.7-178.7158.2-2.6121.3
123D30.2Very low32.2Very low136 Ų136143.4 Ų143.473%0.72777%0.768SS**  trans75.2160.4145.9-51.7-23.1000120.1
124L31.6Very low32Very low167 Ų167143 Ų14387%0.87476%0.759SS**  trans69.377.5-173.3-62.7163.5000117
125N29.3Very low31.7Very low156 Ų156144.6 Ų144.683%0.83476%0.758SS**  trans-16282150.8-104.5-43.5000112.8
126H27.7Very low31.2Very low187 Ų187147.1 Ų147.187%0.86675%0.753SS**  trans-140.469.2168.8-96.4-66.2000110.9
127L28.7Very low30.9Very low170 Ų170146.1 Ų146.189%0.8974%0.741SS**  trans-150.239.9170.7-144.574.7000112.5N129L127-N129 PolarHBondContact O-N 3.42Å
128T29.3Very low31.1Very low99 Ų99148.1 Ų148.161%0.60774%0.739SS**  trans-77.592-17840.40000112.3H130T128-H130 VanDerWaalsContact C-N 3.29Å; T128-H130 PolarHBondContact O-N 3.33Å
129N29.4Very low30.7Very low134 Ų134151 Ų15172%0.71774%0.743SS**  trans-65.680.6170.8-175.8-2000111.4L127 N131L127-N129 PolarHBondContact O-N 3.42Å; N129-N131 VanDerWaalsContact C-N 3.29Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 PolarHBondContact OD1-ND2 3.32Å; N129-N131 VanDerWaalsContact OD1-ND2 3.08Å
130H30.8Very low30.9Very low157 Ų157151.8 Ų151.873%0.72774%0.743SS**  trans-77.873-178.9-82.5-63.8000113T128T128-H130 VanDerWaalsContact C-N 3.29Å; T128-H130 PolarHBondContact O-N 3.33Å
131N29.8Very low30.6Very low110 Ų110151 Ų15159%0.58874%0.74SS**  trans-66.3142.9159.3-76.2-59.1000111.1N129N129-N131 VanDerWaalsContact C-N 3.29Å; N129-N131 PolarHBondContact O-N 3.11Å; N129-N131 PolarHBondContact OD1-ND2 3.32Å; N129-N131 VanDerWaalsContact OD1-ND2 3.08Å
132N30.4Very low30.7Very low156 Ų156149 Ų14983%0.83474%0.744SS**  trans43.887.7154.1-57.1-13.5000117
133N29.6Very low31Very low143 Ų143147.6 Ų147.677%0.76575%0.746SS**  trans-128.6116.8163.4-145.6-8.8000111.2Q135N133-Q135 PolarHBondContact O-N 3.45Å
134I30.4Very low31.2Very low129 Ų129148.5 Ų148.566%0.66275%0.75SS**  trans-80.996.2-179.4-60.3176000108.1Y136I134-Y136 HydrophobicContact CB-CE2 4.38Å; I134-Y136 HydrophobicContact CG2-CD2 4.12Å; I134-Y136 HydrophobicContact CG2-CE2 3.77Å; I134-Y136 WeakPolarHBondContact O-CD2 3.46Å; I134-Y136 PolarHBondContact O-N 2.91Å
135Q29.8Very low31.5Very low162 Ų162147.7 Ų147.776%0.75774%0.741SS**  trans-74.6105.3173.7-72.3-166.3-7.300110.9N133 I137N133-Q135 PolarHBondContact O-N 3.45Å; Q135-I137 PolarHBondContact O-N 3.44Å
136Y29.4Very low31.9Very low168 Ų168146.6 Ų146.666%0.65974%0.735SS**  trans-73.699.3166.9-71.5-94.6000109.5T17 I134 H138T17-Y136 WeakPolarHBondContact CG2-OH 3.25Å; I134-Y136 HydrophobicContact CB-CE2 4.38Å; I134-Y136 HydrophobicContact CG2-CD2 4.12Å; I134-Y136 HydrophobicContact CG2-CE2 3.77Å; I134-Y136 WeakPolarHBondContact O-CD2 3.46Å; I134-Y136 PolarHBondContact O-N 2.91Å; Y136-H138 PolarHBondContact O-N 3.37Å
137I30.7Very low32.3Very low132 Ų132146.5 Ų146.568%0.67774%0.735SS**  trans-75.472172.8-49.2179.1000109.5Q135 H139Q135-I137 PolarHBondContact O-N 3.44Å; I137-H139 PolarHBondContact O-N 2.9Å; I137-H139 VanDerWaalsContact O-N 3.14Å; I137-H139 PolarHBondContact O-ND1 3.04Å
138H33.2Very low33.1Very low147 Ų147146.4 Ų146.468%0.68174%0.735SS**  trans-71.5104.3166-164.4-45.9000107.9Y136 Q140Y136-H138 PolarHBondContact O-N 3.37Å; H138-Q140 PolarHBondContact O-N 3.41Å; H138-Q140 VanDerWaalsContact O-N 3.15Å
139H31.9Very low34.3Very low155 Ų155147.1 Ų147.172%0.71874%0.741SS**  trans-61.5120.6171.6-75.959.7000108.6I137I137-H139 PolarHBondContact O-N 2.9Å; I137-H139 VanDerWaalsContact O-N 3.14Å; I137-H139 PolarHBondContact O-ND1 3.04Å
140Q34.4Very low35.6Very low156 Ų156146.4 Ų146.473%0.72974%0.744SS**  trans-132.7113.9164-67.1-168-2.200106.2H138 P142H138-Q140 PolarHBondContact O-N 3.41Å; H138-Q140 VanDerWaalsContact O-N 3.15Å; Q140-P142 VanDerWaalsContact O-CD 3.29Å; Q140-P142 WeakPolarHBondContact O-CD 3.35Å
141N31.1Very low36.8Very low143 Ų143144.5 Ų144.577%0.76575%0.745SS**  trans-73.7120.5176.4-79.7-18.6000109.7H143N141-H143 PolarHBondContact O-N 3.46Å
142P38.1Very low38Very low123 Ų123145.3 Ų145.380%0.79976%0.757SS**  trans-85.294.716028.5-16.2000108.1Q140 L144Q140-P142 VanDerWaalsContact O-CD 3.29Å; Q140-P142 WeakPolarHBondContact O-CD 3.35Å; P142-L144 PolarHBondContact O-N 3.15Å
143H35.3Very low39Very low169 Ų169145.7 Ų145.778%0.78276%0.758SS**  trans-64.9121.9160.3-101.4-84.7000108.4N141N141-H143 PolarHBondContact O-N 3.46Å
144L34.3Very low39.3Very low156 Ų156144.5 Ų144.582%0.81776%0.758SS**  trans-164.4119.9137.8-129.682.3000113.5P142P142-L144 PolarHBondContact O-N 3.15Å
145H37.4Very low39.8Very low149 Ų149147.6 Ų147.669%0.6977%0.77SS**  trans50128.3147.8-80.5-66.1000125.2
146D37.8Very low40.3Very low133 Ų133149.2 Ų149.271%0.71178%0.777SS**  trans64.5117.7136.5-51-15.9000119.7
147Q36.7Very low40.4Very low186 Ų186149 Ų14987%0.86978%0.782SS**  cis-153.8153.842.4-70.7178.4-24.400112.7
148L45.9Very low40.6Very low168 Ų168152.2 Ų152.288%0.8879%0.794SS**PPolyproline II helixtrans-102.4143.6172.7-96.483.1000112.9
149P53.1Low40.5Very low113 Ų113152.8 Ų152.873%0.73480%0.797SS**PPolyproline II helixtrans-72.3153.4160-12.328.8000112.3
150P56.6Low40.5Very low119 Ų119148.6 Ų148.677%0.77380%0.796SS**PPolyproline II helixtrans-80.5153179.832.9-35.6000113.5
151P56.2Low40.3Very low117 Ų117146.1 Ų146.176%0.7680%0.795SS**PPolyproline II helixtrans-81153.5176.933.6-35.6000113.1
152P55.4Low40.3Very low128 Ų128147.3 Ų147.383%0.83180%0.795SS**PPolyproline II helixtrans-74.5151.8175.231-34.8000113.1
153L51.4Low40.1Very low164 Ų164148.4 Ų148.486%0.85980%0.795SS**PPolyproline II helixtrans-81146.5-177.7-72160.5000112.9
154P35.8Very low39.7Very low118 Ų118149.7 Ų149.777%0.76679%0.794SS**PPolyproline II helixtrans-79139.4171.432.5-33.5000111.7
155Q41Very low39.7Very low194 Ų194146 Ų14691%0.90779%0.794SS**  trans-120162164.3-71.3-165.9-6.200110.9
156Q40.3Very low39.3Very low196 Ų196148 Ų14892%0.91680%0.801SS**  trans-95.9160-148.7-67.7174.9-33.500115.3
157Q30.8Very low38.9Very low163 Ų163149.3 Ų149.376%0.76281%0.807SS**  trans-56.8150.4173.5-70.7171.3-38.200113.8
158Q36.4Very low38.5Very low200 Ų200144.1 Ų144.194%0.93579%0.789SS**  trans-146.8146.4137.9-114.1166.155.600110.7
159Q30.8Very low37.6Very low158 Ų158143.5 Ų143.574%0.73878%0.782SS**  trans-92.9154.4-168.7-100.882.8-13.300114.4
160G30.9Very low36.4Very low67 Ų67148.2 Ų148.269%0.69179%0.787SS**  trans17386.516200000110.8
161C30.2Very low34.9Very low105 Ų105147.7 Ų147.771%0.70977%0.774SS**  86.989.881.4-79.70000115.1
162H31.8Very low33.5Very low167 Ų167150 Ų15077%0.77378%0.775SS**  trans64.2159.9151.3-48.6-66.4000117.3
163D33.1Very low32.1Very low147 Ų147149.4 Ų149.479%0.78677%0.773SS**  cis-141.4177.214.9-161.47.5000112.6
164Y28.5Very low31Very low195 Ų195150 Ų15077%0.76578%0.776SS**  trans-83.1150.4-164.1-71-93.3000117.2F166Y164-F166 HydrophobicContact CD1-CE2 4.24Å
165G33.1Very low30.5Very low79 Ų79148.9 Ų148.981%0.81477%0.771SS**  trans-148.7101.7163.300000111.9
166F29.2Very low29.8Very low191 Ų191147.2 Ų147.284%0.83877%0.769SS**  trans-75.5127.7-173.5-94.4-109.8000114Y164Y164-F166 HydrophobicContact CD1-CE2 4.24Å
167L29.5Very low29.2Very low161 Ų161146.4 Ų146.484%0.84377%0.765SS**  trans-148.3151.9138.7-94.4175.3000108.3Q169L167-Q169 PolarHBondContact O-N 3.26Å
168P29.5Very low29Very low76 Ų76148.5 Ų148.549%0.49477%0.772SS.*  trans-78.8125.9-160.828.9-34.5000114.4Y170P168-Y170 HydrophobicContact CB-CE1 4.13Å; P168-Y170 HydrophobicContact CB-CE2 4.31Å; P168-Y170 HydrophobicContact CG-CE1 4.28Å; P168-Y170 HydrophobicContact CG-CE2 3.86Å; P168-Y170 VanDerWaalsContact CG-OH 3.31Å; P168-Y170 WeakPolarHBondContact CG-OH 3.47Å; P168-Y170 PolarHBondContact O-N 3.17Å
169Q26.1Very low28.4Very low155 Ų155144.7 Ų144.772%0.72477%0.766SS**  trans-73.5112.6161.1-69.1-179.1-79.500110.1L167 E171L167-Q169 PolarHBondContact O-N 3.26Å; Q169-E171 VanDerWaalsContact C-N 3.28Å; Q169-E171 HydrophobicContact CB-CG 4.28Å; Q169-E171 PolarHBondContact NE2-OE2 3.2Å; Q169-E171 PolarHBondContact O-N 3.17Å
170Y27.3Very low28.2Very low213 Ų213144.3 Ų144.384%0.83577%0.769SS**  trans-92.263.5163.1-49.4-72.2000109.2P168P168-Y170 HydrophobicContact CB-CE1 4.13Å; P168-Y170 HydrophobicContact CB-CE2 4.31Å; P168-Y170 HydrophobicContact CG-CE1 4.28Å; P168-Y170 HydrophobicContact CG-CE2 3.86Å; P168-Y170 VanDerWaalsContact CG-OH 3.31Å; P168-Y170 WeakPolarHBondContact CG-OH 3.47Å; P168-Y170 PolarHBondContact O-N 3.17Å
171E26.3Very low28Very low107 Ų107150.7 Ų150.750%0.577%0.774SS.*  trans-79.9148.9-177-90.8-156.4102.900113.8Q169Q169-E171 VanDerWaalsContact C-N 3.28Å; Q169-E171 HydrophobicContact CB-CG 4.28Å; Q169-E171 PolarHBondContact NE2-OE2 3.2Å; Q169-E171 PolarHBondContact O-N 3.17Å
172Q27Very low27.8Very low167 Ų167154.8 Ų154.878%0.7878%0.775SS**SBendtrans49.975146.9-59.1176.836.600117.8
173S25.3Very low27.5Very low114 Ų114152.3 Ų152.380%0.79777%0.772SS**  trans-162.953.3161.139.20000114.4
174L27.3Very low27.2Very low177 Ų177154 Ų15493%0.92777%0.769SS**SBendtrans-147.927.1170.1-115.7168.4000115.2
175S25.2Very low27.1Very low95 Ų95150.1 Ų150.166%0.66477%0.767SS**SBendtrans-111.7153.2156.550.80000108.8
176N26.4Very low26.6Very low159 Ų159152.5 Ų152.585%0.8577%0.772SS**SBendtrans81.124.7175.5-50-25.9000119.8
177E27.7Very low26.6Very low179 Ų179147.6 Ų147.684%0.83676%0.761SS**  trans-117.320.3172.4-73.3-145.5138.600116.8
178F27.4Very low26.4Very low206 Ų206146.8 Ų146.890%0.90476%0.758SS**SBendtrans-12936.8172.6-89.6-74.2000115.1
179C24.5Very low26.2Very low121 Ų121154.6 Ų154.682%0.81878%0.779SS**  trans-138.466.7169.6-82.10000111.3
180N26.7Very low26.3Very low149 Ų149154.4 Ų154.480%0.79778%0.781SS**  trans-122.1135170.2-101.1-44.5000112.1
181Y25.2Very low26.2Very low202 Ų202151.7 Ų151.779%0.79278%0.782SS**  trans-74.5136.4-176.1-82.7-120000111.3
182Y26.9Very low26.3Very low190 Ų190153.7 Ų153.775%0.74580%0.795SS**  trans-115.763.1160.2-78.8-65.2000111.3Y184Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 HydrophobicContact CD1-CD2 4.3Å; Y182-Y184 AromaticContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CE1-CE2 4.26Å; Y182-Y184 HydrophobicContact CG-CE2 4.19Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y182-Y184 VanDerWaalsContact O-N 3.12Å
183T25.4Very low26.2Very low115 Ų115152.2 Ų152.271%0.70679%0.792SS**  trans-76.786.2164.9-55.10000109.2
184Y26.9Very low26.3Very low183 Ų183153 Ų15372%0.71879%0.786SS**  trans-74.9133.4170.5-84.8-81.7000110.8Y182Y182-Y184 VanDerWaalsContact C-N 3.35Å; Y182-Y184 HydrophobicContact CD1-CD2 4.3Å; Y182-Y184 AromaticContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CD1-CE2 3.51Å; Y182-Y184 HydrophobicContact CE1-CE2 4.26Å; Y182-Y184 HydrophobicContact CG-CE2 4.19Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y182-Y184 VanDerWaalsContact O-N 3.12Å
185P26Very low26.5Very low113 Ų113152.7 Ų152.773%0.73478%0.777SS**  trans-70.2145.6178.129.6-34.8000111.2
186S23.9Very low26.6Very low130 Ų130154.3 Ų154.391%0.90978%0.783SS**  trans-95.3107.3177.6178.90000110.1
187S27.4Very low26.8Very low88 Ų88154.2 Ų154.262%0.61578%0.783SS**  trans-140.3112.4171.360.50000111.7
188D25.5Very low26.9Very low144 Ų144154.2 Ų154.277%0.7778%0.783SS**  trans46.790.8139.8-46.8-35.9000118.8
189Y27Very low27.2Very low239 Ų239151.8 Ų151.894%0.93778%0.779SS**  trans-127.2123.2145.6-103.7-85.9000111.7
190I27.8Very low27.4Very low151 Ų151154.2 Ų154.277%0.77478%0.778SS**  trans-79.2147.2-169.6-67.8168.1000111.2L192I190-L192 PolarHBondContact O-N 3.14Å
191N24Very low27.7Very low157 Ų157154.2 Ų154.284%0.8478%0.777SS**  trans-59.695172.7-86-69.6000112.5N193N191-N193 PolarHBondContact O-N 2.78Å
192L28.1Very low27.8Very low149 Ų149152.1 Ų152.178%0.7878%0.775SS**  trans-90.375.3165.5-96.5164.8000110.7I190 I194I190-L192 PolarHBondContact O-N 3.14Å; L192-I194 HydrophobicContact CB-CG1 4.47Å; L192-I194 HydrophobicContact CD2-CD1 4.48Å; L192-I194 HydrophobicContact CD2-CG1 4.21Å; L192-I194 PolarHBondContact O-N 3.49Å
193N26Very low27.8Very low136 Ų136148.7 Ų148.773%0.72777%0.768SS**  trans-76.572176.7-169.4-0.4000110.8N191 K195N191-N193 PolarHBondContact O-N 2.78Å; N193-K195 PolarHBondContact O-N 3.25Å
194I28Very low28.2Very low129 Ų129149.5 Ų149.566%0.66277%0.768SS**  trans-7394.8-176.6-58.7178000109.9L192 T196L192-I194 HydrophobicContact CB-CG1 4.47Å; L192-I194 HydrophobicContact CD2-CD1 4.48Å; L192-I194 HydrophobicContact CD2-CG1 4.21Å; L192-I194 PolarHBondContact O-N 3.49Å; I194-T196 PolarHBondContact O-N 3.19Å
195K30.8Very low28.3Very low172 Ų172147.1 Ų147.175%0.74877%0.767SS**  trans-66.2116.9164.7-69.3-178.4178.1179.20109.5N193 N197N193-K195 PolarHBondContact O-N 3.25Å; K195-N197 PolarHBondContact O-N 2.94Å; K195-N197 VanDerWaalsContact O-N 3.09Å
196T27.6Very low28.6Very low129 Ų129147.4 Ų147.479%0.79177%0.772SS**  trans-73.195.6169.250.90000110.2I194I194-T196 PolarHBondContact O-N 3.19Å
197N31Very low29Very low156 Ų156147 Ų14783%0.83477%0.767SS**  trans-103.9110160.7-95.67.9000108.4K195K195-N197 PolarHBondContact O-N 2.94Å; K195-N197 VanDerWaalsContact O-N 3.09Å
198E28.8Very low29.3Very low179 Ų179151.8 Ų151.884%0.83678%0.784SS**  trans-72.4133167-58179.7140.500109.1
199N33.7Very low29.5Very low155 Ų155151.7 Ų151.783%0.82978%0.783SS**  trans-171.5106.2146.6-100.1-42.7000112.7
200H29.6Very low29.9Very low172 Ų172145.5 Ų145.580%0.79678%0.775SS**  trans31.7118.8138-98.9-85.9000121.7
201L32.2Very low30.2Very low149 Ų149146.5 Ų146.578%0.7877%0.773SS**  152121.7126.8-78.5160.4000109.3
202H27Very low30.7Very low159 Ų159145.6 Ų145.674%0.73677%0.774SS**  76.2123.379.8-144.4-98.3000111.8
203I28.2Very low31Very low118 Ų118147 Ų14761%0.60577%0.774SS**  cis-158.4-163-7.8-149.4176.6000109
204D33.2Very low31.6Very low132 Ų132148.1 Ų148.171%0.70677%0.774SS**  trans70.9154.9170.1-67.3-43.2000119.2
205N29.3Very low31.9Very low132 Ų132149.7 Ų149.771%0.70678%0.782SS**  cis-176.7126.1-48.7-114.9-41.5000108.5
206S32.2Very low32Very low120 Ų120145 Ų14584%0.83978%0.782SS**  trans155.2115.4145.3-76.50000113.4
207P31.6Very low32.5Very low122 Ų122147.8 Ų147.879%0.79278%0.784SS**  trans-103.5154167.437.1-30.5000112.6
208L34.4Very low32.5Very low188 Ų188152 Ų15298%0.98479%0.788SS**  trans-129.2151.2164.4-91.1172.7000111.9
209L29.1Very low32.9Very low141 Ų141147 Ų14774%0.73878%0.784SS**  trans-142.4122.8-153.6178.478.3000113.9
210S35.2Very low33Very low110 Ų110146.6 Ų146.677%0.76979%0.788SS**  trans-139113.315842.60000107.6
211K33.3Very low33.4Very low171 Ų171145.6 Ų145.674%0.74379%0.788SS**  51.2119.973.6-61.4176.2-178.2169.20110.3
212T35.5Very low33.8Very low138 Ų138150.2 Ų150.285%0.84780%0.795SS**  -148.5174.259.5-62.10000113.8
213K34.5Very low34.5Very low179 Ų179151.8 Ų151.878%0.77880%0.8SS**  trans-81.2159.8-169.2-51.5165.2-176.8171.30113.5
214H39.1Very low35Very low159 Ų159148.4 Ų148.474%0.73679%0.794SS**  174.7111.2110.9-96.9-80.2000110.1
215I33.9Very low35.5Very low162 Ų162148 Ų14883%0.83179%0.79SS**  79121.6101-14075.9000114.1
216G33.4Very low36Very low73 Ų73152.3 Ų152.375%0.75380%0.797SS**  trans162.635.4178.700000124.2
217K36.4Very low36.4Very low188 Ų188156.7 Ų156.782%0.81780%0.795SS**  trans43.7119154.4-67.3173.9-179.4169.40121.9
218R32.6Very low36.9Very low245 Ų245156.9 Ų156.993%0.92579%0.785SS**  trans74.1134.1138.5-61.3172.9174.3178-3.8120.2
219G36.4Very low37.3Very low74 Ų74155.2 Ų155.276%0.76377%0.77SS**  trans159.765.3166.900000116.2N221G219-N221 PolarHBondContact O-N 2.96Å
220T36.2Very low38.1Very low147 Ų147156 Ų15690%0.90277%0.768SS**  trans-77.774.9-171.839.80000114.8R222T220-R222 PolarHBondContact O-N 2.93Å
221N37.2Very low38.5Very low150 Ų150157 Ų15780%0.80276%0.764SS**  trans-79.151-171.8-137.9-19.2000115.4G219 K223G219-N221 PolarHBondContact O-N 2.96Å; N221-K223 PolarHBondContact O-N 3.35Å
222R41.2Very low39.3Very low247 Ų247153 Ų15393%0.93275%0.754SS**THydrogen-bonded Turntrans-74.824.8-171.8-133.2178.7-165.3-176.14.9115T220T220-R222 PolarHBondContact O-N 2.93Å
223K41Very low40.1Very low192 Ų192150.6 Ų150.684%0.83574%0.736SS**THydrogen-bonded Turntrans-117.3-8.2-170.6-78.4-175.6175.9177.30116.8N221N221-K223 PolarHBondContact O-N 3.35Å
224G39.4Very low41Very low46 Ų46146.6 Ų146.647%0.47473%0.726SS.*SBendtrans-71.1-51-178.400000115.1R226 R227G224-R226 PolarHBondContact O-N 2.82Å; G224-R227 PolarHBondContact O-N 3.48Å
225I44.2Very low41.4Very low123 Ų123146.1 Ų146.163%0.63172%0.719SS**Hα-helixtrans-61.2-14.9-161.5-58.4167.6000114.7
226R40.1Very low42.6Very low224 Ų224143 Ų14385%0.84570%0.704SS**Hα-helixtrans-86.8-6.1-176.6-146.4176.6-171.2-175.93.1114.7G224G224-R226 PolarHBondContact O-N 2.82Å
227R39.3Very low44Very low212 Ų212146 Ų14680%0.870%0.696SS**Hα-helixtrans-95.5-43.6176.1-80.3-178.6168.7146.3-2.5113.3G224 K229 K230 L231G224-R227 PolarHBondContact O-N 3.48Å; R227-K229 PolarHBondContact O-N 3.31Å; R227-K230 PolarHBondContact O-N 3.26Å; R227-L231 PolarHBondContact O-N 3.18Å
228E42Very low45.2Very low125 Ų125143.1 Ų143.158%0.58468%0.683SS**Hα-helixtrans-59.9-45.5-179.1-67.4155.2165.300111.9K230 L231 T232E228-K230 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 2.82Å; E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 VanDerWaalsContact O-N 3.16Å; E228-T232 PolarHBondContact O-OG1 3.24Å
229K44.5Very low46.4Very low154 Ų154135.6 Ų135.667%0.6766%0.659SS**Hα-helixtrans-61.6-13.6176.5-66.4-166.3176.3-167.30114.8R227R227-K229 PolarHBondContact O-N 3.31Å
230K44.6Very low47.7Very low157 Ų157137.4 Ų137.468%0.68365%0.647SS**Hα-helixtrans-87.8-36.9170.3-76.5-163.7170.8-165.10112.3R227 E228 T234R227-K230 PolarHBondContact O-N 3.26Å; E228-K230 PolarHBondContact O-N 3.49Å; K230-T234 PolarHBondContact O-N 3.41Å; K230-T234 PolarHBondContact O-OG1 3.18Å
231L43.5Very low49.1Very low131 Ų131138.3 Ų138.369%0.68664%0.639SS**Hα-helixtrans-67.7-44.9179.5-71.7166000111.4R227 E228 N233 T234 Y235R227-L231 PolarHBondContact O-N 3.18Å; E228-L231 PolarHBondContact O-N 2.82Å; L231-N233 PolarHBondContact O-N 3.48Å; L231-T234 PolarHBondContact O-N 3.35Å; L231-Y235 PolarHBondContact O-N 3.12Å
232T49.9Very low49.8Very low88 Ų88136.7 Ų136.754%0.5462%0.622SS.*Hα-helixtrans-63.8-40.5178.754.90000112.8E228 Y235 L236E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 VanDerWaalsContact O-N 3.16Å; E228-T232 PolarHBondContact O-OG1 3.24Å; T232-Y235 PolarHBondContact O-N 2.63Å; T232-L236 PolarHBondContact O-N 3.19Å
233N52.5Low50.5Low86 Ų86129.5 Ų129.546%0.4660%0.599SS.*Hα-helixtrans-66.5-38.6178.3-159.3-86.8000112.1L231 K237L231-N233 PolarHBondContact O-N 3.48Å; N233-K237 WeakPolarHBondContact O-CG 3.35Å; N233-K237 PolarHBondContact O-N 2.96Å; N233-K237 VanDerWaalsContact O-N 3.09Å; N233-K237 WeakPolarHBondContact OD1-CE 3.46Å
234T53.9Low51.5Low95 Ų95125.5 Ų125.558%0.58359%0.587SS**Hα-helixtrans-65.1-39.5174.3-55.10000111.9K230 L231 K238K230-T234 PolarHBondContact O-N 3.41Å; K230-T234 PolarHBondContact O-OG1 3.18Å; L231-T234 PolarHBondContact O-N 3.35Å; T234-K238 PolarHBondContact O-N 3.16Å; T234-K238 VanDerWaalsContact O-N 3.09Å
235Y47.4Very low52.1Low149 Ų149130.1 Ų130.158%0.58459%0.591SS**Hα-helixtrans-62.6-50.1175.4-173.2-89.6000111.6L231 T232 K237 K238 Q239L231-Y235 PolarHBondContact O-N 3.12Å; T232-Y235 PolarHBondContact O-N 2.63Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; Y235-K237 PolarHBondContact O-N 3.07Å; Y235-K238 WeakPolarHBondContact O-CB 3.45Å; Y235-K238 PolarHBondContact O-N 3.15Å; Y235-Q239 PolarHBondContact O-N 3.04Å
236L59.6Low52Low97 Ų97131.7 Ų131.751%0.50859%0.59SS.*Hα-helixtrans-56.1-45.5177.4-115.569000112.5T232 K238 Q239 Q240T232-L236 PolarHBondContact O-N 3.19Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.43Å; L236-Q239 PolarHBondContact O-N 3.48Å; L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 2.97Å
237K62.6Low52.6Low136 Ų136127.1 Ų127.159%0.59158%0.576SS**Hα-helixtrans-63.8-34.8176.9-74-174.4177.2-169.20112.8N233 Y235 K241N233-K237 WeakPolarHBondContact O-CG 3.35Å; N233-K237 PolarHBondContact O-N 2.96Å; N233-K237 VanDerWaalsContact O-N 3.09Å; N233-K237 WeakPolarHBondContact OD1-CE 3.46Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; Y235-K237 PolarHBondContact O-N 3.07Å; K237-K241 PolarHBondContact O-N 3.18Å; K237-K241 VanDerWaalsContact O-N 3.15Å
238K62Low53Low127 Ų127123 Ų12355%0.55256%0.564SS**Hα-helixtrans-69-41.6175.5-155.5-175.1-177.8-173.80111T234 Y235 L236 K241 Y242T234-K238 PolarHBondContact O-N 3.16Å; T234-K238 VanDerWaalsContact O-N 3.09Å; Y235-K238 WeakPolarHBondContact O-CB 3.45Å; Y235-K238 PolarHBondContact O-N 3.15Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.05Å; K238-Y242 HydrophobicContact CD-CE2 4.09Å; K238-Y242 WeakPolarHBondContact CE-OH 2.98Å; K238-Y242 HydrophobicContact CG-CD2 4.38Å; K238-Y242 HydrophobicContact CG-CE2 3.79Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.29Å
239Q57.4Low52.9Low88 Ų88120.7 Ų120.741%0.41156%0.556SS.*Hα-helixtrans-62.8-47.9176.6-171.7170.7-5.700112Y235 L236 K241 Y242 E243Y235-Q239 PolarHBondContact O-N 3.04Å; L236-Q239 PolarHBondContact O-N 3.48Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.3Å; Q239-Y242 PolarHBondContact O-N 3.15Å; Q239-E243 PolarHBondContact O-N 2.94Å
240Q63.4Low52.6Low112 Ų112116.1 Ų116.152%0.52354%0.543SS..Hα-helixtrans-59.2-35.6174.3-73178-26.100112.9L236 E243 N244L236-Q240 WeakPolarHBondContact O-CG 3.44Å; L236-Q240 PolarHBondContact O-N 2.97Å; Q240-E243 PolarHBondContact O-N 3.37Å; Q240-N244 WeakPolarHBondContact O-CB 3.48Å; Q240-N244 PolarHBondContact O-N 3.06Å
241K65.5Low52.5Low165 Ų165114 Ų11472%0.71754%0.539SS*.Hα-helixtrans-65.1-37.7174.4-170.9175.8180-179.90112.1K237 K238 Q239 Y245K237-K241 PolarHBondContact O-N 3.18Å; K237-K241 VanDerWaalsContact O-N 3.15Å; K238-K241 PolarHBondContact O-N 3.05Å; Q239-K241 VanDerWaalsContact C-N 3.28Å; Q239-K241 PolarHBondContact O-N 3.3Å; K241-Y245 WeakPolarHBondContact O-CB 3.26Å; K241-Y245 PolarHBondContact O-N 3.21Å; K241-Y245 VanDerWaalsContact O-N 3.16Å
242Y52.4Low52.4Low117 Ų117113 Ų11346%0.45953%0.531SS..Hα-helixtrans-70.2-43.1174.8-70.4-62.1000112.4K238 Q239 N244 Y245 Y246K238-Y242 HydrophobicContact CD-CE2 4.09Å; K238-Y242 WeakPolarHBondContact CE-OH 2.98Å; K238-Y242 HydrophobicContact CG-CD2 4.38Å; K238-Y242 HydrophobicContact CG-CE2 3.79Å; K238-Y242 WeakPolarHBondContact O-CD2 3.47Å; K238-Y242 PolarHBondContact O-N 3.29Å; Q239-Y242 PolarHBondContact O-N 3.15Å; Y242-N244 VanDerWaalsContact C-N 3.35Å; Y242-N244 PolarHBondContact O-N 2.86Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.08Å; Y242-Y245 VanDerWaalsContact O-N 3.15Å; Y242-Y246 VanDerWaalsContact O-CD2 3.24Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Y242-Y246 PolarHBondContact O-N 3.4Å
243E55.1Low51.9Low96 Ų96112.7 Ų112.745%0.44953%0.532SS..Hα-helixtrans-60.9-42.1176.8-74.9-178.9-155.400112.4Q239 Q240 Y245 Y246 K247Q239-E243 PolarHBondContact O-N 2.94Å; Q240-E243 PolarHBondContact O-N 3.37Å; E243-Y245 VanDerWaalsContact C-N 3.32Å; E243-Y245 PolarHBondContact O-N 3.36Å; E243-Y246 PolarHBondContact O-N 2.94Å; E243-K247 WeakPolarHBondContact O-CB 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.22Å; E243-K247 PolarHBondContact O-N 3.09Å
244N63.2Low51Low108 Ų108114.2 Ų114.258%0.57854%0.541SS*.Hα-helixtrans-66.8-32.3175.7-73.8-14.2000112.6Q240 Y242 K248Q240-N244 WeakPolarHBondContact O-CB 3.48Å; Q240-N244 PolarHBondContact O-N 3.06Å; Y242-N244 VanDerWaalsContact C-N 3.35Å; Y242-N244 PolarHBondContact O-N 2.86Å; N244-K248 PolarHBondContact O-N 2.97Å
245Y50.9Low50Low142 Ų142113.8 Ų113.856%0.55754%0.54SS*.Hα-helixtrans-67.5-46.6174.2-179.7-106.6000111.7K241 Y242 E243 K248 L249K241-Y245 WeakPolarHBondContact O-CB 3.26Å; K241-Y245 PolarHBondContact O-N 3.21Å; K241-Y245 VanDerWaalsContact O-N 3.16Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.08Å; Y242-Y245 VanDerWaalsContact O-N 3.15Å; E243-Y245 VanDerWaalsContact C-N 3.32Å; E243-Y245 PolarHBondContact O-N 3.36Å; Y245-K248 PolarHBondContact O-N 3.2Å; Y245-L249 HydrophobicContact CD1-CD1 3.91Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 PolarHBondContact O-N 2.99Å
246Y41.7Very low49.6Very low157 Ų157110.1 Ų110.162%0.61653%0.533SS*.Hα-helixtrans-65.4-37.7175.4-75.8-65.2000112.8Y242 E243 K248 L249 S250Y242-Y246 VanDerWaalsContact O-CD2 3.24Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.4Å; Y242-Y246 PolarHBondContact O-N 3.4Å; E243-Y246 PolarHBondContact O-N 2.94Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 3.48Å; Y246-L249 PolarHBondContact O-N 3.39Å; Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.91Å
247K53.8Low48.7Very low128 Ų128111 Ų11156%0.55754%0.538SS*.Hα-helixtrans-64.5-30.9172.3-79.5179.8176.1172.90113.5E243 S250 N251E243-K247 WeakPolarHBondContact O-CB 3.43Å; E243-K247 WeakPolarHBondContact O-CG 3.22Å; E243-K247 PolarHBondContact O-N 3.09Å; K247-S250 WeakPolarHBondContact CA-OG 3.46Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-S250 VanDerWaalsContact O-OG 3.11Å; K247-N251 WeakPolarHBondContact O-CB 3.28Å; K247-N251 PolarHBondContact O-N 2.71Å; K247-N251 PolarHBondContact O-ND2 3.15Å; K247-N251 PolarHBondContact O-OD1 3.09Å
248K46.7Very low47.7Very low126 Ų126109.7 Ų109.755%0.54854%0.537SS..Hα-helixtrans-70.1-48.1174-165.3169.4-169.2-85.30110.5N244 Y245 Y246 S250 N251 E252N244-K248 PolarHBondContact O-N 2.97Å; Y245-K248 PolarHBondContact O-N 3.2Å; Y246-K248 VanDerWaalsContact C-N 3.31Å; Y246-K248 PolarHBondContact O-N 3.48Å; K248-S250 PolarHBondContact O-N 3.34Å; K248-N251 PolarHBondContact O-N 2.67Å; K248-N251 VanDerWaalsContact O-N 3.11Å; K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 3.52Å; K248-E252 PolarHBondContact NZ-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.41Å
249L40Very low46.8Very low76 Ų76106 Ų10640%0.39852%0.524SS..Hα-helixtrans-57.9-43.2175.1-80.6161.8000113.1Y245 Y246 N251 E252 S253Y245-L249 HydrophobicContact CD1-CD1 3.91Å; Y245-L249 HydrophobicContact CE1-CD1 3.47Å; Y245-L249 VanDerWaalsContact CE1-CD1 3.47Å; Y245-L249 HydrophobicContact CE2-CD1 4.4Å; Y245-L249 PolarHBondContact O-N 2.99Å; Y246-L249 PolarHBondContact O-N 3.39Å; L249-N251 PolarHBondContact O-N 3.29Å; L249-E252 PolarHBondContact O-N 3.5Å; L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 3.36Å
250S38.9Very low46.2Very low57 Ų57106 Ų10640%0.39953%0.526SS..Hα-helixtrans-69.3-18.4177.965.70000114.2Y246 K247 K248 S253 N254Y246-S250 PolarHBondContact O-N 3.4Å; Y246-S250 PolarHBondContact O-OG 2.91Å; K247-S250 WeakPolarHBondContact CA-OG 3.46Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-S250 VanDerWaalsContact O-OG 3.11Å; K248-S250 PolarHBondContact O-N 3.34Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-OG 3.26Å; S250-S253 VanDerWaalsContact O-OG 3.05Å; S250-N254 PolarHBondContact O-ND2 3.02Å; S250-N254 VanDerWaalsContact O-ND2 3.12Å
251N42.6Very low45.3Very low113 Ų113107.1 Ų107.160%0.60453%0.529SS*.Hα-helixtrans-92.1-35.7177-69.34.4000111K247 K248 L249 S253 N254K247-N251 WeakPolarHBondContact O-CB 3.28Å; K247-N251 PolarHBondContact O-N 2.71Å; K247-N251 PolarHBondContact O-ND2 3.15Å; K247-N251 PolarHBondContact O-OD1 3.09Å; K248-N251 PolarHBondContact O-N 2.67Å; K248-N251 VanDerWaalsContact O-N 3.11Å; L249-N251 PolarHBondContact O-N 3.29Å; N251-S253 VanDerWaalsContact C-N 3.3Å; N251-N254 PolarHBondContact O-N 3.36Å
252E41.2Very low44.4Very low109 Ų109107 Ų10751%0.50952%0.524SS..Hα-helixtrans-71.3-22.1173.9-71.7171.1168.200112.7K248 L249 N254K248-E252 WeakPolarHBondContact CE-OE1 3.43Å; K248-E252 IonicContact NZ-OE1 3.52Å; K248-E252 PolarHBondContact NZ-OE1 3.05Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 3.41Å; L249-E252 PolarHBondContact O-N 3.5Å; E252-N254 PolarHBondContact O-N 3.09Å
253S39.9Very low43.9Very low82 Ų82106.2 Ų106.257%0.57353%0.528SS*.THydrogen-bonded Turntrans-72.9-6.8173.356.40000115L249 S250 N251 C255L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 3.36Å; S250-S253 WeakPolarHBondContact CA-OG 3.43Å; S250-S253 PolarHBondContact O-OG 3.26Å; S250-S253 VanDerWaalsContact O-OG 3.05Å; N251-S253 VanDerWaalsContact C-N 3.3Å; S253-C255 PolarHBondContact O-N 3.31Å; S253-C255 VanDerWaalsContact O-N 3.1Å
254N33.5Very low43.2Very low119 Ų119110.3 Ų110.364%0.63654%0.539SS*.  trans-85.841.6-177.8-64.3-42.4000113.7S250 N251 E252S250-N254 PolarHBondContact O-ND2 3.02Å; S250-N254 VanDerWaalsContact O-ND2 3.12Å; N251-N254 PolarHBondContact O-N 3.36Å; E252-N254 PolarHBondContact O-N 3.09Å
255C32.4Very low42.5Very low86 Ų86112.3 Ų112.358%0.58154%0.543SS*.  trans-75.4122.7167-730000109.4S253S253-C255 PolarHBondContact O-N 3.31Å; S253-C255 VanDerWaalsContact O-N 3.1Å
256T39.2Very low42.1Very low71 Ų71110.3 Ų110.344%0.43654%0.542SS..  trans-75.3158.8178.476.90000110.9N258 D259 I260T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 PolarHBondContact OG1-N 3.35Å; T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 3.42Å; T256-D259 PolarHBondContact O-N 3.47Å; T256-D259 PolarHBondContact OG1-OD2 3.05Å; T256-I260 PolarHBondContact O-N 3.16Å
257L40.1Very low42.2Very low117 Ų117109.3 Ų109.361%0.61354%0.542SS*.Hα-helixtrans-54.4-28.1174.5-177.161.1000112.6K261L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.42Å
258N41.5Very low41.8Very low107 Ų107109.7 Ų109.757%0.57255%0.546SS*.Hα-helixtrans-72.5-28.7177.9-64.2-27.2000112.7T256 R262T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 PolarHBondContact OG1-N 3.35Å; N258-R262 PolarHBondContact O-N 3.05Å
259D43.4Very low41.6Very low49 Ų49109 Ų10926%0.26255%0.549SS..Hα-helixtrans-78.6-36.7-179.7-54.4-49000111.2T256 R262 N263T256-D259 WeakPolarHBondContact CB-OD2 3.36Å; T256-D259 PolarHBondContact N-OD2 3.42Å; T256-D259 PolarHBondContact O-N 3.47Å; T256-D259 PolarHBondContact OG1-OD2 3.05Å; D259-R262 PolarHBondContact O-N 3.36Å; D259-R262 IonicContact OD1-CZ 3.61Å; D259-R262 IonicContact OD1-NE 3.78Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 3.38Å; D259-N263 PolarHBondContact O-N 3.3Å
260I44.8Very low41.7Very low88 Ų88110.1 Ų110.145%0.45156%0.559SS.*Hα-helixtrans-61.7-44.3170.3-58.2175.3000110.2T256 N263 R264T256-I260 PolarHBondContact O-N 3.16Å; I260-N263 PolarHBondContact O-N 3.16Å; I260-R264 PolarHBondContact O-N 3.16Å
261K45.3Very low41.7Very low136 Ų136116.3 Ų116.359%0.59157%0.573SS**Hα-helixtrans-63.4-40.2174.9-74.2179.9178.1-176.30112.5L257 K265L257-K261 WeakPolarHBondContact O-CG 3.37Å; L257-K261 PolarHBondContact O-N 3.42Å; K261-K265 PolarHBondContact O-N 3Å
262R46.7Very low41.6Very low162 Ų162114.6 Ų114.661%0.61157%0.57SS**Hα-helixtrans-61.5-46.8175.5-116.3-174.9-60.7-155.85.5112.4N258 D259 R264 K265 N266N258-R262 PolarHBondContact O-N 3.05Å; D259-R262 PolarHBondContact O-N 3.36Å; D259-R262 IonicContact OD1-CZ 3.61Å; D259-R262 IonicContact OD1-NE 3.78Å; D259-R262 IonicContact OD1-NH2 2.7Å; D259-R262 PolarHBondContact OD1-NH2 3.38Å; R262-R264 PolarHBondContact O-N 3.04Å; R262-K265 PolarHBondContact O-N 3.41Å; R262-N266 PolarHBondContact O-N 2.92Å
263N41.3Very low41.5Very low101 Ų101116.3 Ų116.354%0.5458%0.583SS.*Hα-helixtrans-64.2-37.1-178.2-95.4-36.1000113.1D259 I260 K265 N266 Q267D259-N263 PolarHBondContact O-N 3.3Å; I260-N263 PolarHBondContact O-N 3.16Å; N263-K265 PolarHBondContact O-N 3.07Å; N263-N266 PolarHBondContact O-N 2.84Å; N263-Q267 PolarHBondContact O-N 3.13Å; N263-Q267 VanDerWaalsContact O-N 3.08Å
264R40.8Very low41.5Very low182 Ų182120.3 Ų120.369%0.68759%0.592SS**Hα-helixtrans-59.7-43.3174.5-73.6-172179.6-175.60.6112.3I260 R262 N266 Q267 Q268I260-R264 PolarHBondContact O-N 3.16Å; R262-R264 PolarHBondContact O-N 3.04Å; R264-N266 PolarHBondContact O-N 2.98Å; R264-Q267 PolarHBondContact O-N 3.22Å; R264-Q268 PolarHBondContact O-N 2.94Å
265K48.1Very low41.7Very low150 Ų150121 Ų12165%0.65260%0.595SS**Hα-helixtrans-66-36.8-179.5-132.3172.3-174.5176.90112.5K261 R262 N263 Q268 N269K261-K265 PolarHBondContact O-N 3Å; R262-K265 PolarHBondContact O-N 3.41Å; N263-K265 PolarHBondContact O-N 3.07Å; K265-Q268 PolarHBondContact O-N 3.25Å; K265-N269 PolarHBondContact O-N 2.89Å
266N42.9Very low41.8Very low101 Ų101124.6 Ų124.654%0.5461%0.608SS.*Hα-helixtrans-72.4-32.3176.6-73.1-0.5000113.4R262 N263 R264 T270R262-N266 PolarHBondContact O-N 2.92Å; N263-N266 PolarHBondContact O-N 2.84Å; R264-N266 PolarHBondContact O-N 2.98Å; N266-T270 PolarHBondContact O-N 2.79Å; N266-T270 PolarHBondContact O-OG1 2.99Å
267Q43.8Very low41.7Very low135 Ų135129.8 Ų129.863%0.63163%0.625SS**Hα-helixtrans-74-24.6175.3-72.9-172.110.400113.4N263 R264 T270N263-Q267 PolarHBondContact O-N 3.13Å; N263-Q267 VanDerWaalsContact O-N 3.08Å; R264-Q267 PolarHBondContact O-N 3.22Å; Q267-T270 PolarHBondContact O-OG1 2.93Å
268Q45.8Very low41.3Very low136 Ų136133.4 Ų133.464%0.63664%0.636SS**Hα-helixtrans-73.1-49.3172-74.7175.4-44.100110.9R264 K265 T270 R271R264-Q268 PolarHBondContact O-N 2.94Å; K265-Q268 PolarHBondContact O-N 3.25Å; Q268-T270 VanDerWaalsContact C-N 3.28Å; Q268-T270 PolarHBondContact O-N 2.9Å; Q268-R271 PolarHBondContact O-N 3.01Å
269N41.5Very low40.8Very low113 Ų113138.2 Ų138.260%0.60465%0.652SS**Hα-helixtrans-62.4-30.1-178.8-773.7000114.3K265 R271K265-N269 PolarHBondContact O-N 2.89Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.07Å
270T42.1Very low40.2Very low98 Ų98142.6 Ų142.660%0.60167%0.673SS**Hα-helixtrans-80.6-8.3-179.642.20000114.4N266 Q267 Q268N266-T270 PolarHBondContact O-N 2.79Å; N266-T270 PolarHBondContact O-OG1 2.99Å; Q267-T270 PolarHBondContact O-OG1 2.93Å; Q268-T270 VanDerWaalsContact C-N 3.28Å; Q268-T270 PolarHBondContact O-N 2.9Å
271R38.1Very low39.5Very low188 Ų188144 Ų14471%0.70969%0.689SS**Hα-helixtrans-92.7-20.8-178.9-137.5170.1-176143.50.2113.7Q268 N269 I275Q268-R271 PolarHBondContact O-N 3.01Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.07Å; R271-I275 WeakPolarHBondContact O-CD1 3.48Å
272S40.6Very low38.8Very low76 Ų76144.4 Ų144.453%0.53170%0.696SS.*Hα-helixtrans-66-42.2-179.3-52.70000113.4Q274S272-Q274 PolarHBondContact O-N 3.19Å
273D39.3Very low38.1Very low145 Ų145146 Ų14678%0.77571%0.707SS**THydrogen-bonded Turntrans-83.7-9.5-163-64.1-22.5000114.9
274Q41.2Very low37.4Very low166 Ų166146.8 Ų146.878%0.77672%0.716SS**THydrogen-bonded Turntrans-100.3-11.3-179.2-62.4-162.517.100114.7S272 N276S272-Q274 PolarHBondContact O-N 3.19Å; Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.05Å
275I36.7Very low36.9Very low134 Ų134145.8 Ų145.869%0.68772%0.724SS**G310 helixtrans-73.3-17.7-171.5-69.3173000112.9R271 K277R271-I275 WeakPolarHBondContact O-CD1 3.48Å; I275-K277 PolarHBondContact O-N 3.36Å
276N35.5Very low36Very low162 Ų162147 Ų14787%0.86673%0.732SS**G310 helixtrans-90.218.5-170.3-97.4-24.9000116.5Q274Q274-N276 VanDerWaalsContact C-N 3.28Å; Q274-N276 PolarHBondContact O-N 3.05Å
277K37.1Very low35.7Very low180 Ų180148.5 Ų148.578%0.78374%0.74SS**G310 helixtrans-123.9-2.9-169.2-131.4175.7-175.5177.30119.5I275I275-K277 PolarHBondContact O-N 3.36Å
278F30.6Very low35.2Very low193 Ų193148.5 Ų148.585%0.84675%0.745SS**  trans-136.9108.3171.5-77.3-81.6000111.8
279K31Very low34.6Very low208 Ų208149.1 Ų149.190%0.90475%0.752SS**  trans-137.5103171.9-172.3173.2-176175.10108.6
280I30.5Very low34.1Very low140 Ų140151.2 Ų151.272%0.71876%0.763SS**  trans-113.9137.4176.7-61.1177.7000107.4
281P30.6Very low33.6Very low119 Ų119152 Ų15277%0.77377%0.77SS**  trans-78.6138.1-173.9-9.527000112
282I29.9Very low33.3Very low144 Ų144150.1 Ų150.174%0.73877%0.773SS**  trans-83139.1163.7-62.1172.7000108T284I282-T284 HydrophobicContact CG2-CG2 4.48Å
283K31.6Very low32.7Very low194 Ų194154.8 Ų154.884%0.84378%0.784SS**  trans-107.6134.6158.8-73.4-171.8174-170.40108.5
284T27.6Very low32.5Very low119 Ų119158.4 Ų158.473%0.7379%0.788SS**  trans-104133.3168.645.70000108.5I282I282-T284 HydrophobicContact CG2-CG2 4.48Å
285D30.4Very low31.9Very low160 Ų160157.4 Ų157.486%0.85679%0.788SS**  trans-122.2147.6157.1-72.2-60.7000106.6
286E29.8Very low31.8Very low175 Ų175157.9 Ų157.982%0.81879%0.792SS**  trans-102.3-171.9-169.6-60.5179.2128.700111.6
287N35.2Very low31.7Very low133 Ų133155.5 Ų155.571%0.71179%0.785SS**  trans73.9146.4174.6-61.742.1000115.8
288D34.8Very low31.6Very low136 Ų136156.5 Ų156.573%0.72779%0.79SS**  cis-148.7172-7.8-118.2-38.5000111.1
289N31.9Very low31.7Very low148 Ų148156.9 Ų156.979%0.79179%0.794SS**  trans-94.6140.9179.5-59.7-96.9000111.7
290D32.2Very low31.5Very low157 Ų157150.2 Ų150.284%0.8478%0.784SS**  trans-165.9132.4147.7-107.6-25.6000112.1
291P31.1Very low31.4Very low115 Ų115150.8 Ų150.875%0.74779%0.788SS**  trans-99.2126.9175.235.1-29.3000112.3
292I32Very low31.3Very low149 Ų149151.8 Ų151.876%0.76479%0.792SS**  trans-106.1119.3177.3-59.8178.6000110.3Y294I292-Y294 HydrophobicContact CG2-CD2 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.29Å
293F28.4Very low31.4Very low174 Ų174151.7 Ų151.776%0.76379%0.792SS**  trans-76.6143167.5-91.2-106.9000111.1
294Y33.4Very low31.2Very low221 Ų221150.9 Ų150.987%0.86779%0.791SS**  trans-145126.7153.4-99.4-80.5000108.5I292I292-Y294 HydrophobicContact CG2-CD2 4.11Å; I292-Y294 HydrophobicContact CG2-CE2 4.29Å
295D30.3Very low31.3Very low145 Ų145151.6 Ų151.678%0.77579%0.79SS**  trans-86.2134.4178.8-52.8-73.9000111
296D33.6Very low31.2Very low143 Ų143147.5 Ų147.577%0.76579%0.786SS**  trans-133.7113.4168.1-167.10.5000109.8F298D296-F298 PolarHBondContact O-N 2.94Å
297P33.4Very low31.1Very low112 Ų112149.7 Ų149.773%0.72779%0.788SS**  trans-96.259.3-162.138.4-38.3000114.6
298F35Very low30.7Very low201 Ų201149.4 Ų149.488%0.88279%0.794SS**  trans-131.6141.3161.2-84.9-79.9000112D296D296-F298 PolarHBondContact O-N 2.94Å
299H32.5Very low30.3Very low202 Ų202151.2 Ų151.294%0.93580%0.8SS**  trans-129.2132.3-155-160.754.8000111.3
300G26.5Very low30.2Very low67 Ų67150.6 Ų150.669%0.69180%0.797SS**  trans143.859.7173.300000116.5
301D29.8Very low30.1Very low152 Ų152149.7 Ų149.781%0.81379%0.79SS**  trans179.8133138.4-97.8-17.3000111.1I303D301-I303 VanDerWaalsContact C-N 3.35Å; D301-I303 PolarHBondContact O-N 3.27Å
302T28.4Very low30.1Very low140 Ų140151 Ų15186%0.85979%0.791SS**  trans-83.571.5-171.3-500000112.3H304T302-H304 PolarHBondContact O-N 3.07Å
303I31.1Very low29.9Very low143 Ų143150.9 Ų150.973%0.73379%0.791SS**  trans-74.693.1172.9-58.3178.3000109.4D301 N305D301-I303 VanDerWaalsContact C-N 3.35Å; D301-I303 PolarHBondContact O-N 3.27Å; I303-N305 PolarHBondContact O-N 3.11Å
304H28.3Very low29.9Very low177 Ų177148.6 Ų148.682%0.81979%0.787SS**  trans-75.1107176.7-153.6-63.4000110.5T302 G306T302-H304 PolarHBondContact O-N 3.07Å; H304-G306 PolarHBondContact O-N 2.88Å; H304-G306 VanDerWaalsContact O-N 3.12Å
305N30Very low29.5Very low134 Ų134145.4 Ų145.472%0.71779%0.785SS**  trans-57.4114.3-173.5-78.4-35.2000113.1I303I303-N305 PolarHBondContact O-N 3.11Å
306G27.4Very low29.4Very low74 Ų74144.8 Ų144.876%0.76378%0.781SS**  trans-96.7115.5174.100000111.9H304H304-G306 PolarHBondContact O-N 2.88Å; H304-G306 VanDerWaalsContact O-N 3.12Å
307Y27Very low29.2Very low220 Ų220149.9 Ų149.986%0.86379%0.79SS**  trans-65.7133.3179.2-66.8-88.5000112.2M309Y307-M309 PolarHBondContact O-N 3.24Å
308P27.6Very low28.9Very low127 Ų127150.5 Ų150.583%0.82579%0.787SS**  trans-75.397176.330.3-33.9000110.9N310P308-N310 PolarHBondContact O-N 3.44Å
309M27.3Very low28.8Very low174 Ų174146.7 Ų146.786%0.85778%0.775SS**  trans-72117.3172.2-110.8-6316800110.9Y307 I311Y307-M309 PolarHBondContact O-N 3.24Å; M309-I311 PolarHBondContact O-N 2.85Å
310N29Very low28.8Very low136 Ų136144 Ų14473%0.72776%0.764SS**  trans-77111-175.2-171.7-4000110.6P308 L312P308-N310 PolarHBondContact O-N 3.44Å; N310-L312 VanDerWaalsContact C-N 3.26Å; N310-L312 PolarHBondContact O-N 3.28Å
311I30Very low29.1Very low137 Ų137145.7 Ų145.770%0.70376%0.76SS**  trans-79.374.3-175.8-49.4-178.9000110.6M309M309-I311 PolarHBondContact O-N 2.85Å
312L31.2Very low29.2Very low144 Ų144144.9 Ų144.975%0.75475%0.753SS**  trans-101.8136.5159-13375.3000109.2N310 N314N310-L312 VanDerWaalsContact C-N 3.26Å; N310-L312 PolarHBondContact O-N 3.28Å; L312-N314 PolarHBondContact O-N 3.03Å; L312-N314 VanDerWaalsContact O-N 3.07Å
313N27.3Very low29.6Very low145 Ų145143.2 Ų143.278%0.77574%0.739SS**  trans-54.4110.9-170-77.8-50.3000113.9
314N28.4Very low29.7Very low126 Ų126143.3 Ų143.367%0.67474%0.737SS**  trans-139.882.8163.3-92.4-39000110.7L312 L316L312-N314 PolarHBondContact O-N 3.03Å; L312-N314 VanDerWaalsContact O-N 3.07Å; N314-L316 VanDerWaalsContact C-N 3.33Å; N314-L316 PolarHBondContact O-N 2.86Å
315N26.6Very low30.1Very low155 Ų155140.1 Ų140.183%0.82972%0.724SS**  trans-74.384.2172.1-71.9-55.2000109.9
316L27.1Very low30.4Very low131 Ų131139 Ų13969%0.68672%0.719SS**  trans-134.833.7-170.7-118.7152.8000113.9N314N314-L316 VanDerWaalsContact C-N 3.33Å; N314-L316 PolarHBondContact O-N 2.86Å
317W28.8Very low31Very low251 Ų251139 Ų13995%0.95171%0.707SS**SBendtrans-101.690.5164.5-90.122.1000111
318N28.2Very low31.3Very low124 Ų124132.9 Ų132.966%0.66370%0.696SS**  trans4179.5150.8-58.84.8000117.9E320N318-E320 PolarHBondContact O-N 2.97Å
319N32.6Very low31.8Very low121 Ų121133.3 Ų133.365%0.64769%0.691SS**THydrogen-bonded Turntrans-71.20.9166.3-73.1-55.8000114.1N323N319-N323 PolarHBondContact O-ND2 3.12Å
320E31.7Very low32.3Very low147 Ų147131.4 Ų131.469%0.68768%0.684SS**Hα-helixtrans-77-33.5-168.5-60.6-172.5142.100113.7N318N318-E320 PolarHBondContact O-N 2.97Å
321T32.9Very low32.6Very low101 Ų101133.5 Ų133.562%0.6269%0.689SS**Hα-helixtrans-79.7-24.3-176.546.90000114.2
322M31.4Very low32.7Very low136 Ų136131.8 Ų131.867%0.6769%0.69SS**Hα-helixtrans-83.9-34.3176.8-75.7-69.815900112.9Q324 I325M322-Q324 PolarHBondContact O-N 3.3Å; M322-I325 PolarHBondContact O-N 3.31Å
323N38Very low32.8Very low105 Ų105132.4 Ų132.456%0.56169%0.692SS**Hα-helixtrans-69.6-17.7-178.5-79.4-64.4000114.1N319 S327N319-N323 PolarHBondContact O-ND2 3.12Å; N323-S327 WeakPolarHBondContact O-CB 3.19Å; N323-S327 PolarHBondContact O-OG 2.88Å
324Q33.8Very low33Very low145 Ų145133 Ų13368%0.67870%0.695SS**Hα-helixtrans-78-21175.7-66.2-175.113.200113.5M322 S327M322-Q324 PolarHBondContact O-N 3.3Å; Q324-S327 PolarHBondContact O-OG 3.33Å
325I34.9Very low33.1Very low109 Ų109136.8 Ų136.856%0.55971%0.706SS**Hα-helixtrans-84.8-51.7-179.2-60.5178.1000110M322 S327 S328M322-I325 PolarHBondContact O-N 3.31Å; I325-S327 PolarHBondContact O-N 2.89Å; I325-S328 PolarHBondContact O-N 3.31Å; I325-S328 VanDerWaalsContact O-N 3.14Å; I325-S328 PolarHBondContact O-OG 2.85Å
326D37.3Very low33.4Very low112 Ų112139.1 Ų139.160%0.59971%0.712SS**Hα-helixtrans-64.5-23.2-179.4-85.9-22.3000113.8N330D326-N330 PolarHBondContact O-ND2 3.04Å
327S39.4Very low33.7Very low74 Ų74141 Ų14152%0.51772%0.717SS.*THydrogen-bonded Turntrans-75.3-20.5176.546.40000114.1N323 Q324 I325N323-S327 WeakPolarHBondContact O-CB 3.19Å; N323-S327 PolarHBondContact O-OG 2.88Å; Q324-S327 PolarHBondContact O-OG 3.33Å; I325-S327 PolarHBondContact O-N 2.89Å
328S34.2Very low33.5Very low90 Ų90138.4 Ų138.463%0.62971%0.708SS**THydrogen-bonded Turntrans-88.1-23.7-178690000114.4I325I325-S328 PolarHBondContact O-N 3.31Å; I325-S328 VanDerWaalsContact O-N 3.14Å; I325-S328 PolarHBondContact O-OG 2.85Å
329L37.2Very low33.5Very low137 Ų137139.1 Ų139.172%0.71771%0.712SS**SBendtrans-90.9-4.9-172.4-153.968.6000114.4
330N38.1Very low33.4Very low134 Ų134138.9 Ų138.972%0.71772%0.715SS**SBendtrans-105.620.4-169.8-77.6-71000114.9D326D326-N330 PolarHBondContact O-ND2 3.04Å
331Q35.1Very low33.4Very low180 Ų180137 Ų13784%0.84171%0.713SS**SBendtrans-115.48.1-176.7-66.4-167.71.100115.7
332S32.2Very low33.1Very low101 Ų101140.3 Ų140.371%0.70672%0.722SS**SBendtrans-111.32.4-167.655.20000116.7
333I33.7Very low33.1Very low156 Ų156140.5 Ų140.580%0.872%0.724SS**  trans-134.377.3-176.7-47.5-180000111.2
334D30.7Very low32.8Very low159 Ų159142.2 Ų142.285%0.8573%0.734SS**  trans-162.792.8161.5-107.3-31.3000110.4
335K31.3Very low32.7Very low205 Ų205140.5 Ų140.589%0.89173%0.733SS**  trans160.9105.7158.1-91.4152.1-170.3169.40111.3
336E33.8Very low32.5Very low204 Ų204142.5 Ų142.595%0.95374%0.742SS**  trans-163.4156.1131.6-114.4169.4-157.500109.8
337Q31.5Very low32.2Very low169 Ų169142.7 Ų142.779%0.7974%0.743SS**  trans-131.1132.4-159.3-83.1-170.1-98.900114.6
338Y25Very low31.9Very low198 Ų198149 Ų14978%0.77676%0.757SS**  trans69164141.2-84.2-106.4000120.8
339N28.2Very low31.9Very low139 Ų139149.6 Ų149.674%0.74376%0.758SS**  trans72.5144.3169.1-61.5-13000116.2
340T31.2Very low31.6Very low115 Ų115152.5 Ų152.571%0.70676%0.761SS**  cis-156127.3-2.311.20000106.9
341T30.8Very low31.4Very low107 Ų107156.3 Ų156.366%0.65677%0.767SS**  80.3104.990.9-53.80000115.4
342E27.1Very low31.1Very low171 Ų171152.3 Ų152.380%0.79976%0.759SS**  trans58.7143.9148.5-60.7171.2-160.800122.5
343I32.6Very low31.1Very low140 Ų140154.8 Ų154.872%0.71876%0.764SS**  164.4134.2111.1-85.5176.2000112.3
344N31.6Very low31.4Very low142 Ų142151.9 Ų151.976%0.75976%0.756SS**  trans66.5153.6159.5-75.9-20.9000122.3
345T30.6Very low31.4Very low109 Ų109151.2 Ų151.267%0.66975%0.751SS**  cis-167.3177.9-45.310.30000109.8
346M31.5Very low31.5Very low151 Ų151149.9 Ų149.974%0.74475%0.746SS**  trans81.2112.1169.5-48.2-58.5-94.100115.6
347N31.4Very low31.4Very low116 Ų116146 Ų14662%0.6274%0.736SS**  82.7135.968.2-74-20.9000113.2
348Y31.2Very low31.2Very low207 Ų207144.3 Ų144.381%0.81274%0.738SS**  cis-137.9173.311.8-97.7-81.2000112.2
349P34.7Very low31.6Very low101 Ų101141.8 Ų141.866%0.65674%0.743SS**  trans-113.7-141.1-172.744.2-32.1000114.4
350Y31.2Very low32Very low199 Ų199139.7 Ų139.778%0.7874%0.739SS**  trans79.8142.7-167.9-62.9-89.8000114.2
351Y33.3Very low32.2Very low213 Ų213142 Ų14284%0.83575%0.746SS**  cis-126.2168.312.1-130.7-90.3000112.4
352S28.7Very low32.5Very low97 Ų97141.7 Ų141.768%0.67875%0.746SS**  trans-128.2-170.3-179.7-560000112.3
353D33.2Very low33Very low152 Ų152138.1 Ų138.181%0.81374%0.74SS**  trans95.7146.6153.6-79.626.6000120.8
354P39.2Very low33.2Very low95 Ų95139.4 Ų139.462%0.61775%0.747SS**  -145.1-157.3-125.339.4-15.3000115.6
355L31.1Very low33.6Very low146 Ų146138 Ų13876%0.76475%0.747SS**  trans73.5141.1166.8-61.3158.4000115.1
356F33.2Very low33.6Very low177 Ų177138 Ų13878%0.77675%0.751SS**  -165.8138.876.8-113.4-92.6000115.2
357T32.6Very low33.8Very low122 Ų122135.9 Ų135.975%0.74875%0.751SS**  trans51.2133.5150.2450000124.2
358T26.6Very low33.9Very low134 Ų134135.8 Ų135.882%0.82276%0.759SS**  trans-84.9150.3164.750.80000114
359T34.7Very low34.2Very low145 Ų145132.2 Ų132.289%0.8976%0.761SS**  trans-141.5165.4157.4-35.40000109.9
360S35.1Very low34.2Very low94 Ų94133.3 Ų133.366%0.65777%0.771SS**  trans-138.4142.6-145.557.40000118.2
361L35Very low33.9Very low164 Ų164129 Ų12986%0.85977%0.77SS**  trans63.3172.2144.6-77.9158.9000118.5
362P38.2Very low33.8Very low101 Ų101126.5 Ų126.566%0.65677%0.77SS**  cis-132.8179.3-15.530.6-9.1000116.4
363S37.2Very low33.9Very low96 Ų96127.9 Ų127.967%0.67177%0.774SS**  trans59.8120146.851.30000121.7
364L37.7Very low33.4Very low166 Ų166128.6 Ų128.687%0.86978%0.775SS**  80.1155.272.7-101.273.4000115.1
365P38.4Very low33Very low114 Ų114130.5 Ų130.574%0.7479%0.785SS**  cis-137.3-175.4-741.1-21.8000117.3
366S31.5Very low32.7Very low109 Ų109129.3 Ų129.376%0.76278%0.784SS**  trans-44.2153.1174.556.20000123.1
367S36.1Very low32.6Very low106 Ų106127.3 Ų127.374%0.74179%0.786SS**  trans179.6104.3131.951.80000111
368S33.1Very low32.2Very low113 Ų113128.8 Ų128.879%0.7979%0.789SS**  73.8125.787.968.50000116.2
369P36.9Very low32.3Very low133 Ų133132.8 Ų132.886%0.86479%0.789SS**  trans-98.1160.9-171.338.8-36.6000115.4
370S34.2Very low32.3Very low123 Ų123132.2 Ų132.286%0.8678%0.776SS**  trans-155.7146.1167.657.90000113.6
371S26.6Very low31.9Very low109 Ų109135.9 Ų135.976%0.76278%0.783SS**  trans-81.6152.3-17753.20000115.7
372I31.5Very low31.7Very low161 Ų161133.6 Ų133.683%0.82678%0.78SS**  trans-159.6108.9152.7-96.1139.2000105.9
373T29.4Very low31.4Very low126 Ų126134 Ų13477%0.77379%0.786SS**  77.7128.985.3-52.30000114.1
374M23.5Very low31.1Very low167 Ų167136.3 Ų136.382%0.82379%0.79SS**  trans-70.3147.5-176.5-70.7-91.7-77.200113.7
375T29.5Very low30.9Very low134 Ų134133.7 Ų133.782%0.82278%0.783SS**  trans-142.8123.1157.1-35.60000111
376T25.7Very low30.3Very low122 Ų122135.6 Ų135.675%0.74878%0.78SS**  trans-82.7136.2177.549.50000112.2
377V30.5Very low30.3Very low134 Ų134141.7 Ų141.781%0.81279%0.786SS**  trans-134.8105.4165.4-176.20000110.2
378N25.7Very low29.8Very low153 Ų153143.2 Ų143.282%0.81879%0.786SS**  trans-70.2147.8165.5-82.2-34.3000110.6
379R28.7Very low29.7Very low218 Ų218142.1 Ų142.182%0.82378%0.778SS**  trans-170.1141.6142.9-113.4177.5174.6179.2-1.2115.7
380H32.8Very low29.3Very low134 Ų134143 Ų14362%0.6277%0.774SS**  trans55.9108.2160.7-58.3-64.8000118.4
381Q27.6Very low29Very low171 Ų171144.8 Ų144.880%0.79977%0.769SS**  84.7112.867.4-82.2-179.3-33.100114.9
382S30.8Very low29Very low115 Ų115145.7 Ų145.780%0.80477%0.765SS**  -176.3147.1122.3450000114.4
383S32.9Very low28.9Very low111 Ų111146.4 Ų146.478%0.77677%0.77SS**  trans4693.8156500000122
384L29.1Very low28.7Very low143 Ų143147.6 Ų147.675%0.74977%0.771SS**  trans-36.7166.8133.1-87.8167.4000115F386L384-F386 HydrophobicContact CD1-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CD2 4.3Å
385P34.3Very low28.9Very low111 Ų111144.6 Ų144.672%0.72177%0.767SS**  cis-148.5154.743.742.1-21.4000121.9
386F26.8Very low28.9Very low155 Ų155148.7 Ų148.768%0.6877%0.769SS**  trans36.4128.6138.6-76.2-104.7000121.4L384L384-F386 HydrophobicContact CD1-CE2 4.38Å; L384-F386 HydrophobicContact CD2-CD2 4.3Å
387W30Very low29.1Very low236 Ų236147.1 Ų147.189%0.89476%0.763SS**  -142.8145.890.8-10585.3000110.1
388N25.8Very low28.9Very low139 Ų139148 Ų14874%0.74376%0.762SS**  trans-150.3140.9-177.9-127.319000107.7
389S30.6Very low29.2Very low90 Ų90146 Ų14663%0.62976%0.756SS**  trans-167.3131.6163-100.10000112.2
390I30.3Very low29.2Very low152 Ų152142.8 Ų142.878%0.77975%0.749SS**  trans54.798.6143.9-51.1166.9000114.7
391Q27Very low29.2Very low159 Ų159143.2 Ų143.274%0.74375%0.752SS**  cis76.513827.6-135.1-162.4-49.900115.5
392D26.4Very low29.3Very low129 Ų129141.4 Ų141.469%0.6975%0.747SS**  trans65.6112.6168.8-50.8-24.2000119.6
393L30.7Very low29.3Very low176 Ų176140.1 Ų140.192%0.92174%0.738SS**  -171.3110.3117.6-103162.3000112.2
394D25.1Very low29Very low150 Ų150141.6 Ų141.680%0.80274%0.737SS**  trans-84161.3167.9-90.9-53.5000111.9
395S26.4Very low29.1Very low104 Ų104142.4 Ų142.473%0.72774%0.743SS**  trans70.3123.4162.3-51.90000118.9
396Y30.5Very low28.9Very low221 Ų221147.7 Ų147.787%0.86775%0.75SS**  -171.6150.3106.3-113.4-82.1000112.3
397S29.1Very low28.8Very low88 Ų88146.9 Ų146.962%0.61575%0.751SS**  trans25.3126.3164.4-640000121
398L26Very low28.8Very low152 Ų152141.9 Ų141.980%0.79675%0.747SS**  52.7130.377.8-77.382.8000112.8
399T31.5Very low28.9Very low112 Ų112141.3 Ų141.369%0.68774%0.744SS**  -154.1147.550.744.40000115.4
400H29.4Very low28.8Very low150 Ų150142.8 Ų142.869%0.69475%0.749SS**  trans49.6145.9140.9-67.3-73.3000121
401H32.6Very low28.7Very low144 Ų144142.9 Ų142.967%0.66775%0.75SS**  cis-152.6153.718.5-115.7-56.1000111.8
402N30.7Very low28.6Very low132 Ų132141.5 Ų141.571%0.70675%0.746SS**  trans46.3142.9141.1-66.114.3000122.1
403S29.4Very low28.7Very low88 Ų88141.4 Ų141.462%0.61576%0.755SS**  cis-171.1154.3-6.746.20000112.7
404N28Very low28.4Very low142 Ų142138.5 Ų138.576%0.75975%0.745SS**  trans61.5105.1151.6-57.7-10.6000119.1
405N30.4Very low28.5Very low160 Ų160139.8 Ų139.886%0.85675%0.748SS**  trans-139.8151.2132.8-114.3-42.5000109.9
406Y30.2Very low28.4Very low222 Ų222144.9 Ų144.987%0.87175%0.753SS**  trans-79.2146.9-160.3-83.3-100000114.8
407I24.4Very low28.2Very low138 Ų138139.5 Ų139.571%0.70875%0.748SS**  trans-113120.7174.9-62.1173.8000110.7
408T30.4Very low28Very low131 Ų131140.7 Ų140.780%0.80476%0.756SS**  trans-144.6110.2149.745.10000107.4
409N27.5Very low28.3Very low127 Ų127138.6 Ų138.668%0.67975%0.752SS**  61.7123.575.5-67.2-26.4000112.5
410T28.1Very low28Very low121 Ų121140.5 Ų140.574%0.74276%0.758SS**  cis-158.3-163.9-14.3-8.90000107.2
411I29.9Very low28Very low155 Ų155143 Ų14380%0.79576%0.761SS**  cis-142.9155.624.3-61.4168.8000110.6
412I24.9Very low27.6Very low130 Ų130141.3 Ų141.367%0.66777%0.765SS**  trans-45.1142.1171.1-61.9149.3000117.5T414I412-T414 HydrophobicContact CG2-CG2 4.44Å
413S27Very low27.5Very low126 Ų126141.2 Ų141.288%0.88176%0.764SS**  trans-152.8131.6131.1-82.40000110.9
414T25.3Very low27.2Very low116 Ų116142.1 Ų142.171%0.71277%0.771SS**  trans-99.1154.6-174.549.70000112.1I412I412-T414 HydrophobicContact CG2-CG2 4.44Å
415M25.9Very low27.4Very low176 Ų176141.3 Ų141.387%0.86777%0.773SS**  trans-171.2148.8130.1-100.8-59.4165.200111.7
416Y24.8Very low27.5Very low211 Ų211138.8 Ų138.883%0.82777%0.768SS**  trans-75.9153.1-178.1-73.2-110.3000112.9
417S27.2Very low27.3Very low108 Ų108135.8 Ų135.876%0.75577%0.765SS**  173145.2109.8-760000112.8P419S417-P419 WeakPolarHBondContact O-CD 3.37Å
418S23.6Very low27.5Very low113 Ų113137.1 Ų137.179%0.7977%0.773SS**  trans-111.2112.3178.6-57.30000112.8N420S418-N420 PolarHBondContact O-N 2.85Å
419P32Very low27.2Very low108 Ų108136 Ų13670%0.70177%0.771SS**  trans-36.441.4161.237.1-14000123S417 W421S417-P419 WeakPolarHBondContact O-CD 3.37Å; P419-W421 PolarHBondContact O-N 2.97Å
420N26.5Very low27.3Very low153 Ų153135.5 Ų135.582%0.81878%0.777SS**  trans-78.890.3-178.8-148.713.8000111.7S418S418-N420 PolarHBondContact O-N 2.85Å
421W28.5Very low27.2Very low202 Ų202135 Ų13577%0.76578%0.779SS**  trans-113.276.7-171-82.257.8000113.8P419 L423P419-W421 PolarHBondContact O-N 2.97Å; W421-L423 HydrophobicContact CD2-CD1 4.42Å; W421-L423 HydrophobicContact CE3-CD1 3.85Å; W421-L423 HydrophobicContact CZ3-CD1 3.97Å
422S24.5Very low27.3Very low108 Ų108132.8 Ų132.876%0.75578%0.777SS**  trans-93.791.3161.6590000110
423L28.7Very low27.3Very low130 Ų130131.5 Ų131.568%0.68178%0.779SS**  trans-129.790.3-178.4-79176.6000113.3W421 P425W421-L423 HydrophobicContact CD2-CD1 4.42Å; W421-L423 HydrophobicContact CE3-CD1 3.85Å; W421-L423 HydrophobicContact CZ3-CD1 3.97Å; L423-P425 WeakPolarHBondContact O-CD 3.47Å
424S24.1Very low27.4Very low107 Ų107133.4 Ų133.475%0.74878%0.779SS**  trans-72.6121.6168.4-51.50000111.2S426S424-S426 PolarHBondContact O-N 2.98Å; S424-S426 VanDerWaalsContact O-N 3.17Å
425P32.4Very low27.6Very low125 Ų125132.7 Ų132.781%0.81278%0.779SS**  trans-76.1104.7175.2-15.831.8000111.4L423L423-P425 WeakPolarHBondContact O-CD 3.47Å
426S30.6Very low27.6Very low107 Ų107129.3 Ų129.375%0.74877%0.772SS**PPolyproline II helixtrans-64.8133.2173.4-67.50000111.8S424 L428S424-S426 PolarHBondContact O-N 2.98Å; S424-S426 VanDerWaalsContact O-N 3.17Å; S426-L428 PolarHBondContact O-N 2.97Å
427I26Very low27.8Very low159 Ų159124.6 Ų124.682%0.81577%0.77SS**PPolyproline II helixtrans-71.9116.8176.7-57.3168.3000109.3
428L29.8Very low27.8Very low167 Ų167124.2 Ų124.287%0.87477%0.767SS**PPolyproline II helixtrans-103.8134.7157.7-101.976.2000110.1S426S426-L428 PolarHBondContact O-N 2.97Å
429S24.5Very low28.1Very low108 Ų108125.2 Ų125.276%0.75577%0.769SS**  trans-122.9118.8-175.459.30000111.3
430S30Very low27.9Very low116 Ų116124.8 Ų124.881%0.81177%0.768SS**  trans-157.6149.9164.847.30000110.7
431S25.9Very low27.7Very low111 Ų111128.8 Ų128.878%0.77677%0.773SS**  172.673.3-50.550.40000108.6
432S30.7Very low27.8Very low107 Ų107124.7 Ų124.775%0.74878%0.775SS**  trans-161117.5163.735.90000107.3
433S25.1Very low27.9Very low103 Ų103126.9 Ų126.972%0.7278%0.779SS**  cis85.7138.943.980.90000113.2
434L29.6Very low27.8Very low167 Ų167127.1 Ų127.187%0.87479%0.79SS**  trans74140.8-174-48.7170.2000114.6
435S29.5Very low28.1Very low101 Ų101127.7 Ų127.771%0.70679%0.789SS**  cis-160.1165.6-1845.80000111.8
436S25.4Very low27.9Very low105 Ų105127.8 Ų127.873%0.73479%0.787SS**  trans-32.6151.1164.649.30000115.8
437S30.2Very low27.9Very low112 Ų112128.8 Ų128.878%0.78379%0.793SS**  -163.6175.861.850.40000116.9
438S26.1Very low28Very low100 Ų100125.2 Ų125.270%0.69979%0.787SS**  trans-45.8159.3175.252.40000115.4
439V29.2Very low28.1Very low134 Ų134125.5 Ų125.581%0.81279%0.789SS**  -147.6144.582.6152.90000114.8
440S27.9Very low28.5Very low99 Ų99125.6 Ų125.669%0.69279%0.789SS**  trans-26.8149.1166.5-40.20000120.2
441Y23.9Very low28.4Very low237 Ų237127.9 Ų127.993%0.92979%0.791SS**  trans-78.2141.4151.8-83.4-106.1000110.4
442S30.3Very low28.7Very low115 Ų115127.4 Ų127.480%0.80479%0.786SS**  trans-148136.116552.90000111.2
443N27Very low28.7Very low154 Ų154127.1 Ų127.182%0.82478%0.784SS**  trans-73.9152.2-176.3-58.5-25.6000112.3
444C26.9Very low29.1Very low136 Ų136129.8 Ų129.892%0.91979%0.789SS**  trans-148161.3147.8-1050000111.2
445T29.2Very low29.1Very low119 Ų119126.4 Ų126.473%0.7378%0.777SS**  trans-139.4172.3-157-36.70000110.6
446T28.4Very low28.9Very low127 Ų127126.1 Ų126.178%0.77978%0.775SS**  trans67.5112.1158.432.20000119.1
447C30.4Very low29Very low127 Ų127126.2 Ų126.286%0.85878%0.776SS**  -176.2106.6118-94.80000106.9
448A28Very low29Very low85 Ų85129.6 Ų129.670%0.70278%0.784SS**  86.8148.660.100000113.2
449L32.4Very low28.9Very low173 Ų173129.5 Ų129.591%0.90678%0.784SS**  trans74.8138.2-172.2-47174.4000115.2
450S32Very low28.7Very low109 Ų109129.7 Ų129.776%0.76278%0.779SS**  cis-162.2154.6-23.339.10000111.3
451L28.2Very low28.6Very low164 Ų164134.8 Ų134.886%0.85979%0.785SS**  trans-70.9178.6175.4-106.275000112.7
452P33.3Very low28.7Very low101 Ų101127.4 Ų127.466%0.65677%0.768SS**  cis-149.8166.927.444-24.1000120.3
453S30.8Very low28.6Very low102 Ų102128.8 Ų128.871%0.71377%0.772SS**  trans57.4160.7136.575.60000121.8
454L32Very low28.6Very low159 Ų159128.1 Ų128.183%0.83277%0.768SS**  cis-144-142.12-153.572.4000110.7
455P30.7Very low28.7Very low96 Ų96130.1 Ų130.162%0.62377%0.768SS**  trans-127.4174.8-130.345.1-26.3000118.6
456S25.2Very low28.5Very low95 Ų95129.3 Ų129.366%0.66477%0.767SS**  trans46.7125.4141.7650000122.9
457S26.5Very low28.6Very low106 Ų106132.8 Ų132.874%0.74177%0.771SS**  trans58.2109.1139.7630000120.5
458L30.2Very low28.5Very low183 Ų183131.5 Ų131.596%0.95876%0.764SS**  trans-135.3155.4144.1-77.4179.6000110.2
459S23.8Very low28.5Very low99 Ų99138.2 Ų138.269%0.69278%0.778SS**  trans-132.8-163-176.262.30000110.7
460L26Very low28.2Very low138 Ų138137 Ų13772%0.72377%0.772SS**  trans77.4149-176-42.5162.4000113.1
461Y26.4Very low28Very low205 Ų205140.7 Ų140.780%0.80477%0.774SS**  cis-119.7148.7-3.4-81-104.4000108.5
462S24.4Very low28Very low83 Ų83140.3 Ų140.358%0.5877%0.768SS**  cis83.5105.938.3-171.50000115.7
463T29.7Very low27.5Very low144 Ų144142.8 Ų142.888%0.88378%0.775SS**  trans-146.4140.9142.244.20000109.6
464N25.3Very low27.4Very low140 Ų140144.5 Ų144.575%0.74978%0.78SS**  trans-91.8160.5-173.8-64.7-77.9000113.4
465I29.9Very low27.1Very low177 Ų177141.3 Ų141.391%0.90877%0.771SS**  -161.3145.8120.2-99.1153000108.9
466S24.6Very low26.8Very low103 Ų103144.5 Ų144.572%0.7278%0.783SS**  trans-133.4149.9-165.256.20000113.9
467K31.3Very low26.9Very low199 Ų199145 Ų14587%0.86579%0.787SS**  trans-17685.5158.8-102.3157.8-175.1178.70108.5
468S27Very low26.8Very low101 Ų101147 Ų14771%0.70679%0.794SS**  67.490.279.177.80000114.9
469F29.4Very low26.6Very low226 Ų226145.7 Ų145.799%0.99178%0.783SS**  trans-139.4144.8138.4-114.1-81.6000108.5
470N25.1Very low26.6Very low146 Ų146148.2 Ų148.278%0.78180%0.795SS**  trans-147.2116.9-158.2-178.32.2000111.3
471K28.6Very low26.6Very low187 Ų187148.2 Ų148.281%0.81379%0.794SS**  trans-158.799.8153.1-123.8-178.1176.9-174.50114.2
472Q28.3Very low26.5Very low157 Ų157145.5 Ų145.573%0.73479%0.788SS**  64.7115.1120.6-157.6162.421.300119.8
473I22.8Very low26.4Very low153 Ų153147.6 Ų147.679%0.78580%0.802SS**  trans-77.2142.5173-61.4155.8000111
474V28.4Very low26.3Very low137 Ų137146.4 Ų146.483%0.8379%0.79SS**  trans-138.2145.7154.7-178.40000108.4
475S25Very low26.4Very low92 Ų92145.1 Ų145.164%0.64379%0.789SS**  trans-105.8168.5-173.7-48.60000113.2
476N24.7Very low26.3Very low164 Ų164145.2 Ų145.288%0.87779%0.79SS**  trans71.195.6164.5-60.2-2.2000118.3
477S28.1Very low26.5Very low106 Ų106146.5 Ų146.574%0.74179%0.794SS**  trans-145.7133.6130.854.90000110.1
478T23.7Very low26.2Very low146 Ų146143.5 Ų143.590%0.89679%0.793SS**  trans-92.1113.1168.343.60000108.6
479E27.2Very low26.2Very low156 Ų156144.7 Ų144.773%0.72980%0.801SS**  trans-125.6134.2169.5-68.2-167.3152.900110.7
480V22.8Very low26Very low153 Ų153142 Ų14293%0.92780%0.796SS**  trans-87.6111.7174.11760000106.9
481I26.1Very low26.2Very low138 Ų138139.6 Ų139.671%0.70879%0.791SS**  trans-109.4115.9177.5-60.5-176.5000109.7
482Q24.2Very low26.2Very low147 Ų147137.6 Ų137.669%0.68779%0.789SS**  trans-69.8135175.1-178.9175.1-70.600110.3D484Q482-D484 PolarHBondContact NE2-OD2 2.92Å; Q482-D484 PolarHBondContact O-N 2.86Å
483C23Very low26.2Very low128 Ų128136.8 Ų136.887%0.86579%0.789SS**  trans-90.390.3177.5-65.70000111
484D26.6Very low26.5Very low119 Ų119137 Ų13764%0.63679%0.792SS**PPolyproline II helixtrans-89.7136.5167.9-72.3-57.3000111.1Q482Q482-D484 PolarHBondContact NE2-OD2 2.92Å; Q482-D484 PolarHBondContact O-N 2.86Å
485P27Very low26.3Very low113 Ų113133.6 Ų133.673%0.73478%0.784SS**PPolyproline II helixtrans-77.9137.6-174.930.7-34.6000112.4T487P485-T487 PolarHBondContact O-N 3.25Å
486L29.1Very low26.5Very low178 Ų178137.2 Ų137.293%0.93280%0.796SS**PPolyproline II helixtrans-65.1129.5177-96.4164.3000111.9
487T27.6Very low26.4Very low130 Ų130137.1 Ų137.180%0.79879%0.791SS**PPolyproline II helixtrans-79.4131.1-16845.70000113.4P485P485-T487 PolarHBondContact O-N 3.25Å
488T25.9Very low26.3Very low137 Ų137137.3 Ų137.384%0.8479%0.792SS**PPolyproline II helixtrans-79118.9162.448.50000110L490T488-L490 PolarHBondContact O-N 3.17Å
489S26.3Very low26.2Very low126 Ų126138.5 Ų138.588%0.88179%0.785SS**  trans-75.7101.7173.456.40000111.1
490L26.7Very low26Very low168 Ų168140.4 Ų140.488%0.8879%0.791SS**  trans-110.8127.6166.7-172.871000108.8T488T488-L490 PolarHBondContact O-N 3.17Å
491S28.3Very low25.9Very low96 Ų96140.2 Ų140.267%0.67178%0.784SS**  trans-124122.8-179.259.60000111.5
492N28.5Very low25.8Very low146 Ų146141.5 Ų141.578%0.78179%0.787SS**  trans69.2139.3166.8-52.7-18.1000116.6
493L28.4Very low25.7Very low140 Ų140144.3 Ų144.373%0.73379%0.793SS**  cis173.9133.8-26.8-114.7165.1000105.7
494N28.5Very low25.7Very low157 Ų157144 Ų14484%0.8478%0.782SS**  trans114.4134.5152.5-60.7-25.9000116.6
495G25.6Very low25.6Very low65 Ų65144.5 Ų144.567%0.6779%0.785SS**  trans13169.5158.600000116.6
496N27.9Very low25.3Very low168 Ų168145.7 Ų145.790%0.89879%0.794SS**  trans67.4113.4150.4-52.7-15.4000118.7
497E23.2Very low25Very low163 Ų163142 Ų14276%0.76278%0.783SS**  trans-80.3154.8175.7-51.9172.8123.400112.8
498S25.8Very low24.7Very low110 Ų110146.8 Ų146.877%0.76979%0.788SS**  trans-158.8100.9143.3-9.40000110.5
499F21.8Very low24.7Very low170 Ų170147.3 Ų147.375%0.74679%0.785SS**  trans-78.2125.3175.4-73.5-93.7000111.2
500F23Very low24.5Very low196 Ų196148.6 Ų148.686%0.8678%0.782SS**  trans-126.3104.5161.2-85.9-80.9000110.7
501I21.1Very low24.5Very low149 Ų149149.7 Ų149.776%0.76478%0.78SS**  trans-83.1115168.9-60.2172.5000107.5Y503I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE2 4.35Å
502Q22.6Very low24.4Very low166 Ų166151 Ų15178%0.77679%0.786SS**  trans-130.5102.1170.5-168.8165.515.700112.3
503Y22.3Very low24.2Very low206 Ų206153.3 Ų153.381%0.80879%0.789SS**  trans-59.9138.5155.8-71.3-102.8000109.5I501I501-Y503 HydrophobicContact CG2-CD2 4.35Å; I501-Y503 HydrophobicContact CG2-CE2 4.35Å
504N23.6Very low24.2Very low122 Ų122156.8 Ų156.865%0.65279%0.794SS**  trans-165.9111.3142.5-104.8-39000115.3
505N23.8Very low24.1Very low128 Ų128156.7 Ų156.768%0.68479%0.793SS**  36.5111129.8-64.3-53000120.4S507N505-S507 PolarHBondContact O-N 3.07Å; N505-S507 PolarHBondContact O-OG 3.16Å
506C20.7Very low24.1Very low139 Ų139157.9 Ų157.994%0.93979%0.791SS**  trans-49.8120.5158.9-68.30000111.3
507S23.5Very low23.9Very low100 Ų100155.2 Ų155.270%0.69979%0.785SS**  trans-127.5109.5-174.2-64.20000111.7N505N505-S507 PolarHBondContact O-N 3.07Å; N505-S507 PolarHBondContact O-OG 3.16Å
508Y22Very low24Very low230 Ų230151.6 Ų151.690%0.90278%0.778SS**  trans-67.6134.7173.2-84.3-102.6000111.1
509L25Very low24Very low149 Ų149156.4 Ų156.478%0.7878%0.781SS**  trans-131.591.8174.5-115.4158.3000112.3
510N22.9Very low24.1Very low152 Ų152155.4 Ų155.481%0.81378%0.783SS**  trans-75.6131.6162.9-90.7-70.2000109.9
511K25.8Very low24.3Very low191 Ų191154.3 Ų154.383%0.8378%0.781SS**  trans-141161.2156.1-95.6-179.4-178.4174.70110.2
512P26.7Very low24.5Very low123 Ų123156.9 Ų156.980%0.79978%0.782SS**  trans-108.3169.7-134.539.8-37.5000117.2
513K24.7Very low24.6Very low195 Ų195155.1 Ų155.185%0.84879%0.786SS**  trans-62.8157.6175.9-47.4161.7-177.1173.70113.5
514Y27.9Very low24.8Very low213 Ų213154.4 Ų154.484%0.83579%0.789SS**  -159.3147.7121.9-107.8-77.2000110.9
515L26.7Very low24.8Very low155 Ų155154.3 Ų154.381%0.81280%0.798SS**  trans27.8147.9160.6-90.631.6000122
516S25.1Very low25Very low90 Ų90154 Ų15463%0.62980%0.801SS**  cis-176.5126.7-10.9158.10000113.8
517S24.1Very low25.1Very low112 Ų112154.8 Ų154.878%0.78380%0.795SS**  trans63.9159.1154.595.50000117.5
518S24.7Very low25.4Very low87 Ų87155.5 Ų155.561%0.60879%0.79SS**  cis-156.4173.3-5.7-1630000110.4
519Y26.8Very low25.5Very low211 Ų211151.9 Ų151.983%0.82779%0.786SS**  trans75.7153.1171.5-63.5-74.9000117.5
520N23.7Very low25.6Very low149 Ų149148.4 Ų148.480%0.79777%0.774SS**  trans-126.8154.2-171.4-21.4-101.7000108.2
521E26.7Very low25.7Very low173 Ų173150 Ų15081%0.80878%0.779SS**  -163.6163.5123.1-110.4164.6-164.200113.5
522Y25Very low25.7Very low203 Ų203151.5 Ų151.580%0.79678%0.781SS**  trans20.4125.7174.6-75.7-85.7000122.4Q524Y522-Q524 PolarHBondContact O-N 2.75Å
523P24.3Very low25.7Very low130 Ų130155.3 Ų155.384%0.84478%0.779SS**  trans-8499.5170.334.2-31.8000112
524Q28Very low25.7Very low190 Ų190154.6 Ų154.689%0.88878%0.779SS**  trans-89.2143.4153.7-72.8-164.4-1.800110.2Y522Y522-Q524 PolarHBondContact O-N 2.75Å
525S23.4Very low25.9Very low120 Ų120150.5 Ų150.584%0.83977%0.772SS**  trans-106.983.2-163.158.20000113.4
526V26.4Very low26.1Very low122 Ų122150.2 Ų150.274%0.73977%0.771SS**  trans-133.7125.3156.7-177.10000107.9I528V526-I528 HydrophobicContact CG1-CD1 4.12Å; V526-I528 HydrophobicContact CG1-CG1 4.04Å
527L24Very low26.1Very low156 Ų156155.6 Ų155.682%0.81779%0.786SS**  trans-123.890.6177.7-129.1173.8000108.2
528I28.9Very low26.4Very low114 Ų114155 Ų15559%0.58578%0.782SS**  trans-113.2108.1170.1-65176000106.8V526 S530V526-I528 HydrophobicContact CG1-CD1 4.12Å; V526-I528 HydrophobicContact CG1-CG1 4.04Å; I528-S530 PolarHBondContact O-N 3.04Å
529N23.9Very low26.6Very low154 Ų154158 Ų15882%0.82479%0.791SS**  trans-81.193.8168.1-82.43.2000108.7
530S28.7Very low26.5Very low76 Ų76154 Ų15453%0.53179%0.791SS.*  trans-111.9116.8160.354.20000108I528 Y532I528-S530 PolarHBondContact O-N 3.04Å; S530-Y532 PolarHBondContact O-N 3.48Å; S530-Y532 VanDerWaalsContact O-N 3.16Å
531M25Very low26.8Very low187 Ų187152.3 Ų152.392%0.92179%0.786SS**  trans-69.7113.1-178.5-60.2-164-54.500109.9R533M531-R533 PolarHBondContact O-N 3.22Å
532Y25Very low26.6Very low222 Ų222152.4 Ų152.487%0.87179%0.786SS**  trans-65.9119.2160.2-80.1-92.9000107.8S530S530-Y532 PolarHBondContact O-N 3.48Å; S530-Y532 VanDerWaalsContact O-N 3.16Å
533R26.5Very low26.8Very low202 Ų202152 Ų15276%0.76279%0.789SS**  trans-97112.2171.4-165.6-179.9-164.5-87.57.3107M531 N535M531-R533 PolarHBondContact O-N 3.22Å; R533-N535 PolarHBondContact NH1-OD1 3.21Å; R533-N535 VanDerWaalsContact NH1-OD1 3.16Å; R533-N535 PolarHBondContact O-N 3.12Å
534E25.4Very low27.1Very low181 Ų181152.3 Ų152.385%0.84678%0.784SS**  trans-57.4132.4170.7-63.4160.9146.900108.9
535N31Very low26.9Very low126 Ų126150.9 Ų150.967%0.67478%0.782SS**  trans-140.6124.8167.3-86.5-3.8000105.3R533R533-N535 PolarHBondContact NH1-OD1 3.21Å; R533-N535 VanDerWaalsContact NH1-OD1 3.16Å; R533-N535 PolarHBondContact O-N 3.12Å
536D30.5Very low27.3Very low149 Ų149152.5 Ų152.580%0.79778%0.78SS**  trans-74.2140.5-164.1-52.1-94.1000114.7S538D536-S538 PolarHBondContact O-N 3.03Å
537E26.3Very low27.5Very low203 Ų203153.1 Ų153.195%0.94978%0.779SS**  trans-67.3115.4164.4-67.2-172.813900109.8
538S31Very low27.5Very low99 Ų99152.3 Ų152.369%0.69278%0.775SS**  trans-146.5101.9171.848.60000113.9D536D536-S538 PolarHBondContact O-N 3.03Å
539N27.9Very low27.5Very low151 Ų151156.2 Ų156.281%0.80779%0.791SS**  trans65.7133.3164.5-64.3-33.7000119.6
540P25.1Very low27.5Very low127 Ų127154.9 Ų154.983%0.82578%0.783SS**  trans-80144.5163.934.5-33.1000110.8
541V28.8Very low27.4Very low114 Ų114157.1 Ų157.169%0.69180%0.797SS**  trans-129.2121.1166.8179.80000108.3F543V541-F543 HydrophobicContact CG1-CD2 4.14Å; V541-F543 HydrophobicContact CG1-CE2 3.78Å
542Q24.5Very low27.4Very low175 Ų175156.6 Ų156.682%0.81879%0.792SS**  trans-70.5138.9174.6-60.7174.3-79.500110.2
543F28.7Very low27.3Very low195 Ų195151.4 Ų151.486%0.85579%0.788SS**  trans-128.7127.5158.2-88.1-85.5000108.8V541V541-F543 HydrophobicContact CG1-CD2 4.14Å; V541-F543 HydrophobicContact CG1-CE2 3.78Å
544N29.3Very low27.1Very low136 Ų136148.8 Ų148.873%0.72780%0.795SS**  trans-86.9158.8-178.4-66.5-13.5000111.3
545D24.6Very low27.1Very low159 Ų159145.3 Ų145.385%0.8579%0.788SS**  trans-61.5129.2179.2-47.4-90000113.6
546I31.7Very low26.8Very low155 Ų155148.5 Ų148.580%0.79580%0.799SS**  trans-13994.7151-55.1-176.7000110.2
547N29.9Very low26.5Very low134 Ų134150.5 Ų150.572%0.71780%0.803SS**  trans36.9113.7139.7-55.7-36.6000121.1
548N25.9Very low26.4Very low139 Ų139145.8 Ų145.874%0.74379%0.793SS**  31.8112.8124.9-59.6-14.1000120
549E27.7Very low26.1Very low197 Ų197147 Ų14792%0.92180%0.796SS**  -130137.8124.7-77-157.2135.800109.6
550I25.1Very low26Very low126 Ų126148.9 Ų148.965%0.64679%0.793SS**  trans-107.2113.1-175.8-63172.7000109.3
551C25.3Very low26.2Very low122 Ų122149.5 Ų149.582%0.82479%0.788SS**  trans-111.5107.6166.3-80.10000109.3S553C551-S553 PolarHBondContact O-N 2.96Å
552H24.5Very low26.1Very low176 Ų176149.6 Ų149.682%0.81579%0.785SS**  trans-67.1128.5-179.1-71.6-81.3000112
553S24.9Very low26.4Very low113 Ų113146.9 Ų146.979%0.7978%0.776SS**  trans-152105.7167-74.40000108.8C551 P555C551-S553 PolarHBondContact O-N 2.96Å; S553-P555 WeakPolarHBondContact O-CD 3.4Å
554T22Very low26.6Very low148 Ų148147.4 Ų147.491%0.90877%0.773SS**  trans-78.9129176.838.90000110.7
555P24Very low26.7Very low107 Ų107147.1 Ų147.170%0.69577%0.768SS**  trans-140.9146.9134.135.9-23000114.6S553S553-P555 WeakPolarHBondContact O-CD 3.4Å
556Q25.6Very low26.9Very low194 Ų194147.6 Ų147.691%0.90776%0.758SS**  trans64.7113.1150.5-66.4177.2-5.300119.4
557Q23.4Very low26.9Very low190 Ų190148 Ų14889%0.88875%0.751SS**  trans-61.1122173.9-177.7175.99.600112.2T559Q557-T559 PolarHBondContact O-N 2.8Å
558S23.9Very low26.7Very low105 Ų105149.4 Ų149.473%0.73475%0.748SS**  trans-77.2116.9171.841.70000111Y560S558-Y560 PolarHBondContact O-N 3.37Å
559T26.4Very low26.9Very low123 Ų123149.8 Ų149.876%0.75574%0.74SS**  trans-74.2104.7166.945.80000109.7Q557Q557-T559 PolarHBondContact O-N 2.8Å
560Y24.1Very low26.8Very low192 Ų192148.4 Ų148.475%0.75373%0.727SS**  trans-56.7141.6158.8-106.1-101.5000109.7S558 D562S558-Y560 PolarHBondContact O-N 3.37Å; Y560-D562 VanDerWaalsContact CD1-OD2 3.29Å; Y560-D562 WeakPolarHBondContact CD1-OD2 3.31Å
561I29.1Very low27.1Very low140 Ų140151.5 Ų151.572%0.71873%0.732SS**  trans-129.785169-56.4-179.7000106.5
562D26.9Very low27Very low116 Ų116155 Ų15562%0.6273%0.73SS**  trans-89106.6172-70.3-43.9000109.2Y560Y560-D562 VanDerWaalsContact CD1-OD2 3.29Å; Y560-D562 WeakPolarHBondContact CD1-OD2 3.31Å
563D31.8Very low27.2Very low117 Ų117152 Ų15263%0.62673%0.728SS**  trans-145.547.3175.8-99.5-46.2000112.3H565D563-H565 PolarHBondContact O-N 3.4Å; D563-H565 IonicContact OD1-CD2 3.76Å; D563-H565 IonicContact OD1-NE2 2.63Å
564Y31.7Very low27.2Very low206 Ų206153 Ų15381%0.80873%0.725SS**  trans-75.569.5173.5-79.3-77.2000112.3Y566Y564-Y566 WeakPolarHBondContact O-CD2 3.45Å; Y564-Y566 PolarHBondContact O-N 3.29Å
565H33.2Very low27.5Very low131 Ų131151.9 Ų151.961%0.60672%0.72SS**  trans-74.190.6179-94.9-70000113.5D563 Y567D563-H565 PolarHBondContact O-N 3.4Å; D563-H565 IonicContact OD1-CD2 3.76Å; D563-H565 IonicContact OD1-NE2 2.63Å; H565-Y567 HydrophobicContact CB-CD2 4.26Å; H565-Y567 HydrophobicContact CB-CE2 3.8Å; H565-Y567 WeakPolarHBondContact O-CD2 3.29Å; H565-Y567 PolarHBondContact O-N 3.5Å
566Y27.4Very low27.6Very low168 Ų168152 Ų15266%0.65972%0.722SS**  trans-71.1108.3170.8-77.8-92000112.4Y564Y564-Y566 WeakPolarHBondContact O-CD2 3.45Å; Y564-Y566 PolarHBondContact O-N 3.29Å
567Y31.1Very low27.7Very low165 Ų165150.6 Ų150.665%0.64772%0.72SS**  trans-102.6103.6172.8-75.3-82000112.3H565H565-Y567 HydrophobicContact CB-CD2 4.26Å; H565-Y567 HydrophobicContact CB-CE2 3.8Å; H565-Y567 WeakPolarHBondContact O-CD2 3.29Å; H565-Y567 PolarHBondContact O-N 3.5Å
568Y26.8Very low27.8Very low162 Ų162146.8 Ų146.864%0.63571%0.714SS**  trans-80.3118173.6-70.4-88.6000111.9
569Y30.7Very low28.1Very low147 Ų147148.9 Ų148.958%0.57672%0.716SS**  trans-118.9106.6171.9-75.9-84000111
570Y25.9Very low28.2Very low169 Ų169149.5 Ų149.566%0.66371%0.713SS**  trans-87.7116.4179.1-65.8-83.6000111.9
571Y29.5Very low28.5Very low191 Ų191149.1 Ų149.175%0.74972%0.718SS**  trans-112.4106.9173.6-77.9-87.3000111.5S573Y571-S573 PolarHBondContact O-N 3.46Å
572Y24.7Very low28.5Very low196 Ų196147.7 Ų147.777%0.76971%0.712SS**  trans-75.1101.9175.1-74.2-86.1000111.7
573S28.4Very low28.7Very low113 Ų113147.5 Ų147.579%0.7972%0.72SS**  trans-93111.5168.7-65.40000110.3Y571 P575Y571-S573 PolarHBondContact O-N 3.46Å; S573-P575 WeakPolarHBondContact O-CD 3.31Å
574N25Very low28.8Very low134 Ų134153.4 Ų153.472%0.71775%0.749SS**  trans-73.7123.3178.3-81.1-80.6000111.3C576N574-C576 PolarHBondContact O-N 3.16Å; N574-C576 VanDerWaalsContact O-N 3.16Å
575P27.3Very low28.7Very low124 Ų124150.8 Ų150.881%0.80575%0.746SS**  trans-83.888176.333.5-33.1000111S573S573-P575 WeakPolarHBondContact O-CD 3.31Å
576C26Very low28.4Very low108 Ų108151.8 Ų151.873%0.7375%0.754SS**  trans-134.993177.9-77.70000112.5N574N574-C576 PolarHBondContact O-N 3.16Å; N574-C576 VanDerWaalsContact O-N 3.16Å
577L27.6Very low28.5Very low165 Ų165150.9 Ų150.986%0.86476%0.759SS**  trans-176.491.7138.1-103.1163.5000110.1
578S27.4Very low28.3Very low110 Ų110150.1 Ų150.177%0.76977%0.765SS**  trans-69.5125.4160.241.70000109L580S578-L580 PolarHBondContact O-N 3.43Å; S578-L580 VanDerWaalsContact O-N 3.13Å
579I28.8Very low28.4Very low150 Ų150149.3 Ų149.377%0.76977%0.774SS**  trans-75.1103.7169.3-64.7179.3000107.4E581I579-E581 HydrophobicContact CG2-CB 4.44Å; I579-E581 PolarHBondContact O-N 3.26Å; I579-E581 VanDerWaalsContact O-N 3.16Å
580L28.4Very low28.3Very low135 Ų135149.5 Ų149.571%0.70779%0.787SS**  trans-81.481.1173.9-174.575.1000109.2S578 N582S578-L580 PolarHBondContact O-N 3.43Å; S578-L580 VanDerWaalsContact O-N 3.13Å; L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 WeakPolarHBondContact CD2-ND2 3.39Å; L580-N582 PolarHBondContact O-N 3.28Å
581E30.2Very low28.5Very low184 Ų184148.1 Ų148.186%0.8680%0.796SS**  trans-79.883.6174.4-152.3158-135.900109.3I579I579-E581 HydrophobicContact CG2-CB 4.44Å; I579-E581 PolarHBondContact O-N 3.26Å; I579-E581 VanDerWaalsContact O-N 3.16Å
582N30.7Very low28.4Very low110 Ų110144.8 Ų144.859%0.58880%0.799SS**  trans-75.8144.1177.2-81.8-23.6000111.7L580L580-N582 VanDerWaalsContact C-N 3.32Å; L580-N582 WeakPolarHBondContact CD2-ND2 3.39Å; L580-N582 PolarHBondContact O-N 3.28Å
583S30.8Very low28.7Very low113 Ų113140.5 Ų140.579%0.7980%0.802SS**  trans62.4139.7172.862.90000115.6
584I33.5Very low28.7Very low240 Ų240143 Ų143100%1.23180%0.803SS**  cis-116.1018.2-64.1169.1000111.2

Retrieved 584 of 584 residues in 62.1 ms (Link to these results)