A0A087XPR1_POEFO Loading...

SERPINE1 mRNA binding protein 1

AlphaFold DB (A0A3B3VEQ1), UniProt , Accession A0A087XPR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 404 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
1M42.2Very low51.6Low229 Ų229145.3 Ų145.3100%1.12884%0.837SS**  0116.20-60.5-50.4-169.500108
2P49.6Very low52.7Low131 Ų131143.8 Ų143.885%0.85183%0.832SS**  trans-69.8143.4170.130.6-33.1000110
3G46.5Very low53.6Low75 Ų75142.8 Ų142.877%0.77383%0.829SS**  trans-75.1136.2-179.600000112.1L5G3-L5 PolarHBondContact O-N 2.87Å
4H48.4Very low54.7Low187 Ų187140.1 Ų140.187%0.86682%0.816SS**  trans-85.897.9172.8-150.268.3000108.3Q6H4-Q6 PolarHBondContact O-N 3.29Å
5L51.9Low55.9Low159 Ų159135.7 Ų135.783%0.83279%0.788SS**  trans-62.7124.2168.5-87154.1000108.1G3 E7G3-L5 PolarHBondContact O-N 2.87Å; L5-E7 PolarHBondContact O-N 3.26Å; L5-E7 VanDerWaalsContact O-N 3.12Å
6Q52.4Low56.6Low189 Ų189141 Ų14188%0.88379%0.791SS**  trans-72.7104.6172.3-72.5179.9-2700108.2H4 G8H4-Q6 PolarHBondContact O-N 3.29Å; Q6-G8 PolarHBondContact O-N 3.12Å
7E60.2Low56.8Low168 Ų168140.5 Ų140.579%0.78578%0.779SS**  trans-61.5107.2168.6-66.8-177.4149.900108.4L5 F9L5-E7 PolarHBondContact O-N 3.26Å; L5-E7 VanDerWaalsContact O-N 3.12Å; E7-F9 PolarHBondContact O-N 2.73Å
8G53.1Low57Low73 Ų73138.1 Ų138.175%0.75376%0.764SS**  trans-65.9118.717500000109.4Q6 G10Q6-G8 PolarHBondContact O-N 3.12Å; G8-G10 PolarHBondContact O-N 3.35Å
9F47.8Very low57.2Low207 Ų207140.6 Ų140.691%0.90877%0.77SS**  trans-70.269.4178.8-70-84.4000111.9E7 C11E7-F9 PolarHBondContact O-N 2.73Å; F9-C11 PolarHBondContact O-N 3.34Å
10G59.9Low57.2Low61 Ų61138.7 Ų138.763%0.62976%0.758SS**  trans-76.6113169.100000110.4G8 V12G8-G10 PolarHBondContact O-N 3.35Å; G10-V12 PolarHBondContact O-N 3Å
11C55.5Low57.1Low119 Ų119137.3 Ų137.380%0.80475%0.749SS**  trans-66104.8167.4-73.20000109.3F9 V13F9-C11 PolarHBondContact O-N 3.34Å; C11-V13 VanDerWaalsContact C-N 3.29Å; C11-V13 HydrophobicContact CB-CG2 4.3Å; C11-V13 PolarHBondContact O-N 3Å
12V65.2Low57.7Low128 Ų128134 Ų13478%0.77674%0.736SS**  trans-71.787.1172.2-177.60000108.8G10 T14G10-V12 PolarHBondContact O-N 3Å; V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.25Å
13V64.1Low58Low130 Ų130133.7 Ų133.779%0.78873%0.727SS**  trans-78.682175.6-176.10000108.6C11 N15C11-V13 VanDerWaalsContact C-N 3.29Å; C11-V13 HydrophobicContact CB-CG2 4.3Å; C11-V13 PolarHBondContact O-N 3Å; V13-N15 PolarHBondContact O-N 3.03Å; V13-N15 VanDerWaalsContact O-N 3.17Å
14T68.6Low58.4Low106 Ų106138.1 Ų138.165%0.6573%0.728SS**  trans-63.8114.7167.854.80000108.8V12 R16V12-T14 VanDerWaalsContact C-N 3.31Å; V12-T14 HydrophobicContact CG1-CG2 4.03Å; V12-T14 PolarHBondContact O-N 3.25Å; T14-R16 PolarHBondContact O-N 3.19Å
15N73.9Confident59.1Low74 Ų74132.5 Ų132.540%0.39671%0.709SS.*  trans-67.7120.4176.2170.927.4000109.1V13 F17 D18V13-N15 PolarHBondContact O-N 3.03Å; V13-N15 VanDerWaalsContact O-N 3.17Å; N15-F17 PolarHBondContact O-N 3.35Å; N15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; N15-F17 PolarHBondContact OD1-N 3Å; N15-F17 VanDerWaalsContact OD1-N 3.08Å; N15-D18 WeakPolarHBondContact CB-OD1 3.43Å; N15-D18 PolarHBondContact ND2-N 3.3Å; N15-D18 PolarHBondContact ND2-OD1 3.3Å; N15-D18 PolarHBondContact O-N 3.39Å; N15-D18 VanDerWaalsContact O-N 3.12Å
16R66.8Low60.3Low220 Ų220128.8 Ų128.883%0.8369%0.69SS**THydrogen-bonded Turntrans-68.9-1.6-179.7-69.6-175.1-68.9153.2-0.3113.6T14T14-R16 PolarHBondContact O-N 3.19Å
17F59.6Low61.5Low133 Ų133124.2 Ų124.258%0.58368%0.677SS**THydrogen-bonded Turntrans-110.7-0.1175.3-56.6-77.4000113.8N15 Q19 L20N15-F17 PolarHBondContact O-N 3.35Å; N15-F17 WeakPolarHBondContact OD1-CD2 3.41Å; N15-F17 PolarHBondContact OD1-N 3Å; N15-F17 VanDerWaalsContact OD1-N 3.08Å; F17-Q19 PolarHBondContact O-N 3.3Å; F17-L20 HydrophobicContact CD1-CD2 4.39Å; F17-L20 VanDerWaalsContact O-CB 3.29Å; F17-L20 WeakPolarHBondContact O-CB 3.41Å; F17-L20 PolarHBondContact O-N 3.15Å
18D60.6Low61.5Low96 Ų96123.5 Ų123.551%0.51367%0.672SS.*G310 helixtrans-62.7-27.2173.3-71.7-11.8000111.7N15 L20 L21N15-D18 WeakPolarHBondContact CB-OD1 3.43Å; N15-D18 PolarHBondContact ND2-N 3.3Å; N15-D18 PolarHBondContact ND2-OD1 3.3Å; N15-D18 PolarHBondContact O-N 3.39Å; N15-D18 VanDerWaalsContact O-N 3.12Å; D18-L20 PolarHBondContact O-N 3.24Å; D18-L21 PolarHBondContact O-N 3.39Å
19Q61.3Low62.6Low187 Ų187125.7 Ų125.787%0.87466%0.662SS**G310 helixtrans-75.69.4173.5-64-177.3-12.700113.8F17F17-Q19 PolarHBondContact O-N 3.3Å
20L57.3Low64.1Low102 Ų102119.6 Ų119.653%0.53464%0.642SS.*G310 helixtrans-115.85.1178.4-160.662000112.4F17 D18F17-L20 HydrophobicContact CD1-CD2 4.39Å; F17-L20 VanDerWaalsContact O-CB 3.29Å; F17-L20 WeakPolarHBondContact O-CB 3.41Å; F17-L20 PolarHBondContact O-N 3.15Å; D18-L20 PolarHBondContact O-N 3.24Å
21L53.4Low64.6Low110 Ų110122.1 Ų122.158%0.57664%0.641SS**G310 helixtrans-86.1-8.9176.8-66.6172.5000113.7D18 D23D18-L21 PolarHBondContact O-N 3.39Å; L21-D23 VanDerWaalsContact C-N 3.3Å
22D55.1Low65.6Low158 Ų158122.7 Ų122.785%0.84563%0.629SS**G310 helixtrans-80.2-9171.2-85.9-23.3000113E24D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.46Å
23D56.1Low66.2Low126 Ų126118.9 Ų118.967%0.67461%0.611SS**G310 helixtrans-88.718.7179.4-84.5-22.6000113L21 S25L21-D23 VanDerWaalsContact C-N 3.3Å; D23-S25 PolarHBondContact O-N 2.75Å
24E56.2Low66.7Low167 Ų167114.9 Ų114.978%0.7859%0.592SS**  trans-66.48.6175.6-74.6-169161.400114.9D22 D26D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.46Å; E24-D26 PolarHBondContact O-N 2.97Å
25S61.9Low67.1Low69 Ų69114.9 Ų114.948%0.48358%0.584SS.*  trans-68.1116.2174.3-63.10000111.2D23D23-S25 PolarHBondContact O-N 2.75Å
26D77.2Confident67Low81 Ų81115 Ų11543%0.43359%0.585SS.*  trans-47.2130.7169.6172.3-5000109.8E24 F28 E29 V30E24-D26 PolarHBondContact O-N 2.97Å; D26-F28 PolarHBondContact O-N 3.43Å; D26-F28 WeakPolarHBondContact OD1-CB 3.48Å; D26-F28 PolarHBondContact OD1-N 3.02Å; D26-E29 HydrophobicContact CB-CB 4.33Å; D26-E29 HydrophobicContact CB-CG 4.19Å; D26-E29 WeakPolarHBondContact O-CA 3.4Å; D26-E29 PolarHBondContact O-N 2.97Å; D26-V30 PolarHBondContact O-N 3.05Å
27P77.1Confident67.3Low93 Ų93111.8 Ų111.860%0.60458%0.577SS**Hα-helixtrans-51.1-27.9176.220.1-33.5000114L31P27-L31 VanDerWaalsContact O-CG 3.29Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å; P27-L31 PolarHBondContact O-N 2.84Å; P27-L31 VanDerWaalsContact O-N 3.12Å
28F61.2Low67.6Low153 Ų153113.4 Ų113.467%0.67158%0.584SS**Hα-helixtrans-72.2-37.2171.1-77.9-83.4000113.5D26 L31 K32D26-F28 PolarHBondContact O-N 3.43Å; D26-F28 WeakPolarHBondContact OD1-CB 3.48Å; D26-F28 PolarHBondContact OD1-N 3.02Å; F28-L31 PolarHBondContact O-N 3.02Å; F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.43Å; F28-K32 PolarHBondContact O-N 2.77Å
29E76.9Confident67.6Low119 Ų119114.4 Ų114.456%0.55658%0.584SS**Hα-helixtrans-68.1-38172.8-69.4-143.2135.600111.9D26 L31 K32 A33D26-E29 HydrophobicContact CB-CB 4.33Å; D26-E29 HydrophobicContact CB-CG 4.19Å; D26-E29 WeakPolarHBondContact O-CA 3.4Å; D26-E29 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.02Å; E29-K32 PolarHBondContact O-N 3.04Å; E29-A33 VanDerWaalsContact O-CB 3.26Å; E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 2.86Å
30V78.4Confident67.3Low79 Ų79112 Ų11248%0.47957%0.572SS.*Hα-helixtrans-59-44.1172.3-179.90000111D26 A34D26-V30 PolarHBondContact O-N 3.05Å; V30-A34 WeakPolarHBondContact O-CB 3.14Å; V30-A34 PolarHBondContact O-N 2.93Å
31L71.2Confident67.1Low115 Ų115109.9 Ų109.960%0.60258%0.575SS**Hα-helixtrans-64.8-43.8175.6-74.9168.6000112.4P27 F28 E29 A34 E35P27-L31 VanDerWaalsContact O-CG 3.29Å; P27-L31 WeakPolarHBondContact O-CG 3.49Å; P27-L31 PolarHBondContact O-N 2.84Å; P27-L31 VanDerWaalsContact O-N 3.12Å; F28-L31 PolarHBondContact O-N 3.02Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.02Å; L31-A34 PolarHBondContact O-N 2.99Å; L31-E35 PolarHBondContact O-N 2.89Å
32K76.4Confident67Low130 Ų130108.7 Ų108.757%0.56558%0.582SS**Hα-helixtrans-65.5-40.6179.5-163.8176.9-173.6-177.80111.8F28 E29 E35 N36F28-K32 VanDerWaalsContact O-CB 3.25Å; F28-K32 WeakPolarHBondContact O-CB 3.43Å; F28-K32 PolarHBondContact O-N 2.77Å; E29-K32 PolarHBondContact O-N 3.04Å; K32-E35 PolarHBondContact O-N 3.17Å; K32-N36 WeakPolarHBondContact O-CB 3.5Å; K32-N36 VanDerWaalsContact O-CG 3.31Å; K32-N36 PolarHBondContact O-N 3.21Å; K32-N36 PolarHBondContact O-ND2 3.12Å
33A77.3Confident66.8Low48 Ų48105.2 Ų105.240%0.39758%0.575SS.*Hα-helixtrans-66.5-37.6172.500000112.1E29 K37E29-A33 VanDerWaalsContact O-CB 3.26Å; E29-A33 WeakPolarHBondContact O-CB 3.35Å; E29-A33 PolarHBondContact O-N 2.86Å; A33-K37 WeakPolarHBondContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 2.73Å
34A75.4Confident66.4Low47 Ų47103.4 Ų103.439%0.38858%0.578SS.*Hα-helixtrans-68.4-34.9173.800000112.7V30 L31 K38V30-A34 WeakPolarHBondContact O-CB 3.14Å; V30-A34 PolarHBondContact O-N 2.93Å; L31-A34 PolarHBondContact O-N 2.99Å; A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-N 3.45Å; A34-K38 VanDerWaalsContact O-N 3.11Å
35E75.4Confident65.9Low105 Ų10598.8 Ų98.849%0.49158%0.575SS.*Hα-helixtrans-68.3-44.8173.4-160.9-164.7143.100111.5L31 K32 K38 K39L31-E35 PolarHBondContact O-N 2.89Å; K32-E35 PolarHBondContact O-N 3.17Å; E35-K38 WeakPolarHBondContact O-CB 3.25Å; E35-K38 PolarHBondContact O-N 2.87Å; E35-K38 VanDerWaalsContact O-N 3.13Å; E35-K39 PolarHBondContact O-N 2.82Å; E35-K39 VanDerWaalsContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.26Å; E35-K39 IonicContact OE1-NZ 2.66Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å
36N72.4Confident65.2Low78 Ų78100.2 Ų100.242%0.41759%0.585SS.*Hα-helixtrans-63-43.6176.2-71-16.5000111.6K32 K38 K39 E40K32-N36 WeakPolarHBondContact O-CB 3.5Å; K32-N36 VanDerWaalsContact O-CG 3.31Å; K32-N36 PolarHBondContact O-N 3.21Å; K32-N36 PolarHBondContact O-ND2 3.12Å; N36-K38 VanDerWaalsContact C-N 3.25Å; N36-K38 PolarHBondContact O-N 2.89Å; N36-K39 WeakPolarHBondContact O-CA 3.41Å; N36-K39 WeakPolarHBondContact O-CB 3.35Å; N36-K39 PolarHBondContact O-N 3.25Å; N36-E40 PolarHBondContact O-N 3.03Å
37K72.4Confident63.4Low152 Ų152103.5 Ų103.566%0.66161%0.608SS**Hα-helixtrans-62-28.3173-76.8174.9178171.40113.4A33 G41A33-K37 WeakPolarHBondContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CG 3.36Å; A33-K37 PolarHBondContact O-N 2.73Å; K37-G41 PolarHBondContact O-N 3.44Å
38K66.6Low61.8Low167 Ų167108.3 Ų108.373%0.72662%0.619SS**Hα-helixtrans-71.9-31.6170.7-78.7175.9179.3176.50113A34 E35 N36A34-K38 WeakPolarHBondContact O-CG 3.44Å; A34-K38 PolarHBondContact O-N 3.45Å; A34-K38 VanDerWaalsContact O-N 3.11Å; E35-K38 WeakPolarHBondContact O-CB 3.25Å; E35-K38 PolarHBondContact O-N 2.87Å; E35-K38 VanDerWaalsContact O-N 3.13Å; N36-K38 VanDerWaalsContact C-N 3.25Å; N36-K38 PolarHBondContact O-N 2.89Å
39K60.9Low60.5Low117 Ų117107.7 Ų107.751%0.50963%0.628SS.*Hα-helixtrans-73.8-44.6174.9-65.9167.8-173.4165.20111.3E35 N36 A42E35-K39 PolarHBondContact O-N 2.82Å; E35-K39 VanDerWaalsContact O-N 3.1Å; E35-K39 WeakPolarHBondContact OE1-CE 3.26Å; E35-K39 IonicContact OE1-NZ 2.66Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å; N36-K39 WeakPolarHBondContact O-CA 3.41Å; N36-K39 WeakPolarHBondContact O-CB 3.35Å; N36-K39 PolarHBondContact O-N 3.25Å; K39-A42 PolarHBondContact O-N 3.12Å
40E54.9Low58.9Low135 Ų135107.1 Ų107.163%0.63164%0.644SS**Hα-helixtrans-71.1-37.5177.6-66.5-178147.600113N36 A42 A43 A44N36-E40 PolarHBondContact O-N 3.03Å; E40-A42 PolarHBondContact O-N 3.23Å; E40-A42 VanDerWaalsContact O-N 3.16Å; E40-A43 PolarHBondContact O-N 3.25Å; E40-A44 PolarHBondContact O-N 2.59Å; E40-A44 VanDerWaalsContact O-N 3.11Å
41G52.5Low57.2Low58 Ų58107.5 Ų107.560%0.59866%0.656SS**THydrogen-bonded Turntrans-62.1-20.2176.300000114.2K37K37-G41 PolarHBondContact O-N 3.44Å
42A51.5Low56Low86 Ų86111.1 Ų111.171%0.71167%0.669SS**THydrogen-bonded Turntrans-81.9-19.5171.400000113.4K39 E40K39-A42 PolarHBondContact O-N 3.12Å; E40-A42 PolarHBondContact O-N 3.23Å; E40-A42 VanDerWaalsContact O-N 3.16Å
43A50.8Low54.4Low84 Ų84110.3 Ų110.369%0.69469%0.687SS**THydrogen-bonded Turntrans-96.5-32.7-176.600000113.5E40 G45E40-A43 PolarHBondContact O-N 3.25Å; A43-G45 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact O-N 3.13Å
44A47.2Very low52.9Low89 Ų89112 Ų11274%0.73670%0.701SS**SBendtrans-76.69.7-179.700000114.7E40 S46E40-A44 PolarHBondContact O-N 2.59Å; E40-A44 VanDerWaalsContact O-N 3.11Å; A44-S46 VanDerWaalsContact C-N 3.27Å; A44-S46 PolarHBondContact O-N 2.88Å
45G46.7Very low51.1Low70 Ų70119.6 Ų119.672%0.72273%0.725SS**  trans-74.113.3-166.400000117.8A43A43-G45 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact O-N 3.13Å
46S47.6Very low49.4Very low99 Ų99123.3 Ų123.369%0.69274%0.743SS**  trans-156.598.7177.857.70000115.5A44A44-S46 VanDerWaalsContact C-N 3.27Å; A44-S46 PolarHBondContact O-N 2.88Å
47T38.1Very low48Very low149 Ų149125.1 Ų125.191%0.91476%0.759SS**  -179.2151.8123.8260000112.8
48K44.9Very low46.4Very low194 Ų194125.7 Ų125.784%0.84376%0.761SS**  trans-48.1151.6-177.4-61.6168.5-178.1172.70113.4
49T33.3Very low45.2Very low140 Ų140128.2 Ų128.286%0.85977%0.772SS**  -157.7159.363.937.30000114.6
50A43.2Very low44.6Very low107 Ų107129.7 Ų129.788%0.88478%0.781SS**  trans-98.3115.1179.200000111.8
51A43.4Very low44.3Very low88 Ų88128.2 Ų128.273%0.72779%0.785SS**  trans-155.2162.1163.300000109.9A53A51-A53 PolarHBondContact O-N 3.08Å
52Q44.8Very low44.3Very low190 Ų190135 Ų13589%0.88880%0.802SS**  trans6433.9170.1-51-166.413.100117.8A54Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 3.18Å
53A43.6Very low44.2Very low113 Ų113140 Ų14093%0.93481%0.807SS**  trans-72.879.5157.500000110.8A51A51-A53 PolarHBondContact O-N 3.08Å
54A45Very low44Very low84 Ų84143.2 Ų143.269%0.69481%0.813SS**  trans-148137.9176.700000113Q52Q52-A54 VanDerWaalsContact C-N 3.27Å; Q52-A54 PolarHBondContact O-N 3.18Å
55K38.1Very low44.2Very low206 Ų206150.3 Ų150.390%0.89682%0.82SS**  trans68.474.3173.8-56.1-178.8-178.4177.60116.9
56Q39.4Very low43.8Very low184 Ų184156.7 Ų156.786%0.8683%0.828SS**PPolyproline II helixtrans-96.6123.9154.6-82.3-77.7-12.800110
57P43.8Very low43.2Very low116 Ų116159.8 Ų159.875%0.75384%0.837SS**PPolyproline II helixtrans-83.5144.9166.533.2-31.3000111.4
58K37.7Very low43.5Very low164 Ų164158.4 Ų158.471%0.71383%0.831SS**PPolyproline II helixtrans-80.7148.5-166.1-61.6173.7161.6-163.60114.6E60K58-E60 VanDerWaalsContact CD-OE2 3.3Å; K58-E60 WeakPolarHBondContact CD-OE2 3.29Å; K58-E60 WeakPolarHBondContact CE-OE2 3.47Å; K58-E60 IonicContact NZ-OE2 2.67Å; K58-E60 PolarHBondContact NZ-OE2 2.98Å
59K42.2Very low43.1Very low220 Ų220155.8 Ų155.896%0.95783%0.825SS**  trans-111.6114.4142-75.2-176.8178.2176.30107.8
60E48.4Very low43.5Very low148 Ų148157.3 Ų157.369%0.69283%0.827SS**  trans-119.6124.6-175.9-165.4172131.900109.3K58K58-E60 VanDerWaalsContact CD-OE2 3.3Å; K58-E60 WeakPolarHBondContact CD-OE2 3.29Å; K58-E60 WeakPolarHBondContact CE-OE2 3.47Å; K58-E60 IonicContact NZ-OE2 2.67Å; K58-E60 PolarHBondContact NZ-OE2 2.98Å
61S48.5Very low43.2Very low103 Ų103158.1 Ų158.172%0.7282%0.817SS**  trans-88.9126.4-167.950.70000112.9K63S61-K63 PolarHBondContact O-N 3.25Å; S61-K63 VanDerWaalsContact O-N 3.09Å
62Q50.9Low43.1Very low202 Ų202163.6 Ų163.694%0.94482%0.824SS**SBendtrans-70.7102.1175.1-68-177.3-9.500111.9
63K50.7Low42.6Very low190 Ų190162.1 Ų162.183%0.82682%0.815SS**  trans-143.6-29.3161.2-119.5177.3-178.6-179.20115.3S61 R65S61-K63 PolarHBondContact O-N 3.25Å; S61-K63 VanDerWaalsContact O-N 3.09Å; K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 3.49Å
64D47.5Very low42.2Very low152 Ų152164 Ų16481%0.81380%0.804SS**  trans-90.652.5-167.4-52.7-58.1000114.8
65R51.3Low41.8Very low237 Ų237169.1 Ų169.189%0.89481%0.814SS**  trans-142.378.8171.7-71.5-168.6-179.5157.93.8113.9K63K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 3.49Å
66K37.4Very low41.6Very low205 Ų205164.7 Ų164.789%0.89181%0.809SS**  170.796.8128.1-95.1173.2179.8-175.60112.4
67N34.4Very low41.3Very low163 Ų163165.7 Ų165.787%0.87281%0.813SS**  trans-168119.9133.3-121.99.7000110.5
68P44.2Very low40.9Very low121 Ų121164.2 Ų164.279%0.78681%0.811SS**  trans-86.5151.6165.734.3-31.2000111.5
69L37.5Very low41.2Very low138 Ų138162.2 Ų162.272%0.72382%0.815SS**  trans-68.6144.7179.1-169.575.3000112.4D71L69-D71 WeakPolarHBondContact CD2-OD2 3.4Å
70L42.3Very low41Very low173 Ų173158.4 Ų158.491%0.90681%0.81SS**  trans-147.6113.4153.8-95.2-178.9000110.1
71D35.6Very low41.2Very low124 Ų124156.1 Ų156.166%0.66381%0.808SS**  trans-79.3149.2178.2-54.2-82.2000112.9L69L69-D71 WeakPolarHBondContact CD2-OD2 3.4Å
72K42.2Very low40.8Very low202 Ų202157.8 Ų157.888%0.87881%0.808SS**  trans-161.4120.4149.4-114.3160.9-171.6175.40112.6
73K34.6Very low40.1Very low159 Ų159156.8 Ų156.869%0.69180%0.8SS**  trans30.5136148-80.2-177.4157.7-75.80120.5
74E35.1Very low39.6Very low154 Ų154155.5 Ų155.572%0.7280%0.795SS**  trans45.9132.6132.6-63.4138.2-15200118.4
75E35.6Very low39Very low190 Ų190156 Ų15689%0.88879%0.792SS**  -159.4165.850.3-172.6167.9-171.700112.5
76S34.4Very low38.3Very low114 Ų114148.3 Ų148.380%0.79779%0.786SS**  trans-88.4134.8-175.5-53.70000113.6
77Q32.4Very low38.7Very low204 Ų204145 Ų14595%0.95378%0.777SS**  trans-147.9154.1148-122.6179.225.500113.7
78A36.5Very low39Very low85 Ų85148.5 Ų148.570%0.70278%0.778SS**  trans-100.9161.3-162.800000113.2
79P44.3Very low38.9Very low123 Ų123153.2 Ų153.280%0.79978%0.78SS**  trans-81.8152.4-17433-36000113.7
80V37.6Very low38.9Very low139 Ų139153.8 Ų153.884%0.84279%0.789SS**  trans-128.1108.2171.4-1770000110.3
81P52.2Low38.5Very low100 Ų100148.7 Ų148.765%0.64978%0.778SS**  trans-87.3165.6164.135.6-32.6000111.1
82L40.8Very low38.8Very low139 Ų139154.5 Ų154.573%0.72879%0.791SS**  trans158123.9132.4-85.3164.3000113.8
83K35.5Very low38.6Very low180 Ų180156.1 Ų156.178%0.78379%0.791SS**  trans66.3158150.5-61.5163.3177.51640115.3
84K39.4Very low39.6Very low164 Ų164153.7 Ų153.771%0.71379%0.792SS**  cis-158138.927.9-163.2169.6175.5178.40113.7
85E35.1Very low39.6Very low163 Ų163153.1 Ų153.176%0.76279%0.794SS**  trans25.9143149.2-58.8144.2-147.300123.5
86G36.5Very low39.6Very low74 Ų74152 Ų15276%0.76379%0.788SS**  trans-179.582.4164.900000115.6
87I46Very low39.7Very low136 Ų136154.6 Ų154.670%0.69779%0.788SS**  trans-112.5129.7-179.4-83.668.4000111.9
88R41.8Very low39.7Very low237 Ų237148.8 Ų148.889%0.89478%0.782SS**  trans168.4143.3146.6-86.1141-149.9-137.64.2108.3
89R42.5Very low39.7Very low220 Ų220152.5 Ų152.583%0.8379%0.786SS**  cis116.3112.510-87.3-164.7-178.2-160.83.3112.4
90V36.1Very low39.2Very low150 Ų150152.2 Ų152.291%0.90979%0.786SS**  trans34.7143.8153.8-710000120.9
91G35.1Very low38.9Very low66 Ų66149.2 Ų149.268%0.6878%0.784SS**  cis144.7138.41500000112
92R41Very low38Very low246 Ų246150.7 Ų150.793%0.92880%0.796SS**  trans66.4164176.2-46.7-167-168.3-95.79.2115.8
93R38.5Very low37.9Very low236 Ų236151 Ų15189%0.89179%0.794SS**  cis-142.2-177.818.4-115.9-158.7170152.4-2.6112.5
94P54.4Low38.2Very low108 Ų108149.7 Ų149.770%0.70179%0.79SS**  trans-114.4176.5-168.844-36.8000116.5
95D36.5Very low37.9Very low141 Ų141150.7 Ų150.775%0.75480%0.798SS**  trans-154.8172.9166.2-89.5-47.9000109.3
96Q35.8Very low37.7Very low166 Ų166146.7 Ų146.778%0.77680%0.8SS**  -160.7-179.2-52-131.1-174.4114.200108.7
97Q35.3Very low37.5Very low170 Ų170146.8 Ų146.879%0.79480%0.801SS**  trans-72.9158.5-169.8-65.4160-33.300115.1
98G33.3Very low36.9Very low81 Ų81150.4 Ų150.484%0.83582%0.815SS**  trans-140.9130.7157.300000110
99Q36.7Very low36.3Very low164 Ų164142.8 Ų142.877%0.76681%0.81SS**  trans-146.8136.5-169.6-176.3179.1-1300112.9
100S33.1Very low36Very low116 Ų116142.3 Ų142.381%0.81182%0.817SS**  trans62.9143.4160.761.80000120.4
101G32.1Very low35.8Very low77 Ų77138.8 Ų138.879%0.79481%0.812SS**  trans179.289.7172.100000116.3
102S32.5Very low36Very low130 Ų130147.2 Ų147.291%0.90982%0.823SS**  trans79.3161.7164.2-1480000120.1
103Q39.7Very low36.1Very low146 Ų146141.4 Ų141.468%0.68282%0.817SS**  trans-165.7166.5-144.2-175177.4-52.100112.9
104H40.3Very low35.9Very low152 Ų152134.2 Ų134.270%0.70481%0.808SS**  trans87.1148.5171.7-46.798.1000116.2
105Q34.5Very low35.2Very low186 Ų186135.7 Ų135.787%0.86981%0.81SS**  cis-146.7171.40.9-141.91681.800111.8
106G30.7Very low35.2Very low79 Ų79138.4 Ų138.481%0.81482%0.815SS**  trans-90.3-160.3178.700000114.5
107G31.4Very low35.6Very low75 Ų75142.1 Ų142.177%0.77382%0.822SS**  cis163.3159.6-4.600000113.6
108Q33Very low36.2Very low212 Ų212140 Ų14099%0.99182%0.823SS**  trans74.2148.5172.4-60.5-172.2-10.500120.1
109G30.3Very low36.5Very low78 Ų78143.7 Ų143.780%0.80482%0.823SS**  trans158117-179.400000110.2
110E36.3Very low36.5Very low209 Ų209147.8 Ų147.898%0.97783%0.832SS**  trans-94.5159.6-163.9-62.6-169.311000115.8
111G30.8Very low36.8Very low77 Ų77153.5 Ų153.579%0.79484%0.836SS**  trans171.786.5172.700000115.7
112R40.6Very low38.1Very low243 Ų243155.2 Ų155.292%0.91783%0.833SS**  trans-150.8155.8170.4-85.1-164-178-159.82.1108.1
113P43.2Very low38.9Very low124 Ų124155 Ų15581%0.80583%0.828SS**  cis-132.2-164.843.740.1-19.3000112.6
114A33.3Very low38.8Very low84 Ų84157.6 Ų157.669%0.69483%0.832SS**  cis-155.317016.700000114.3
115D39Very low38.7Very low140 Ų140159.1 Ų159.175%0.74984%0.839SS**  trans-67154.3172.2-53.1-94.9000114.5
116K36.8Very low39.2Very low198 Ų198160.8 Ų160.886%0.86184%0.837SS**  -176.8139.3109.7-91139.5-155.6161.30113.6
117R45Very low39.4Very low244 Ų244166.3 Ų166.392%0.92183%0.834SS**  trans-76.4141.9162.9-67.7173.4173.2161.2-4.9110
118P48.4Very low39.5Very low126 Ų126171.6 Ų171.682%0.81884%0.836SS**  trans-106.3104.7168.134.6-25.4000111.9
119D38.8Very low39.6Very low157 Ų157168.1 Ų168.184%0.8482%0.819SS**  trans-15792.8162.7-138.9-17.4000114
120R36.9Very low40Very low251 Ų251173.7 Ų173.795%0.94782%0.822SS**  trans-173.5157.2156.7-104.6163.6-177.1-178.40.3109.9
121R38.4Very low40.8Very low236 Ų236168.3 Ų168.389%0.89181%0.805SS**  trans-145.3175.1-161.2-103.3-174.9175.7-178.81.1111.9
122P59.3Low40.9Very low112 Ų112169.6 Ų169.673%0.72781%0.808SS**  cis-111.5-100.9-5.122.91.2000112.7
123P50.1Low41Very low125 Ų125166.2 Ų166.281%0.81280%0.803SS**  cis-113.4-1211.743.2-30.3000115.6
124R37.4Very low40.7Very low201 Ų201168.2 Ų168.276%0.75881%0.806SS**  trans-96.1155.6-175-136.2172.9171.4106.7-11.7109.2
125E39.3Very low41.3Very low184 Ų184173.5 Ų173.586%0.8681%0.814SS**  -154.8-166.262.3-83.3-161.5160.500115.7
126R43.4Very low41.7Very low221 Ų221171.9 Ų171.983%0.83481%0.811SS**  trans-130.4124.5-165.8-61.7176.4175.2-176.4-2.6114.2
127R36.5Very low41.9Very low195 Ų195171.5 Ų171.574%0.73681%0.812SS**  trans-174.2153148-98.5172.6-170.1-82.64105.5E129R127-E129 IonicContact NH1-OE1 3.23Å; R127-E129 PolarHBondContact NH1-OE1 3.15Å
128F33.6Very low41.3Very low186 Ų186163.6 Ų163.682%0.81681%0.807SS**  cis-143.5178.643.4-100.9-89.9000113.4
129E34.3Very low40.7Very low139 Ų139161.4 Ų161.465%0.6581%0.807SS**  trans-73.1175.4-175.8-6988.316200116.8R127R127-E129 IonicContact NH1-OE1 3.23Å; R127-E129 PolarHBondContact NH1-OE1 3.15Å
130K38.7Very low40.7Very low195 Ų195158.8 Ų158.885%0.84881%0.808SS**  trans-148.6153.4173.2169.1174-178.2170.40105.9
131P52.1Low40.7Very low97 Ų97153.7 Ų153.763%0.6380%0.799SS**  cis-127.3-175.110.531.1-9.2000115.7
132A34.9Very low40.5Very low103 Ų103151.8 Ų151.885%0.85180%0.798SS**  trans-132.4149.2136.800000108.5
133E42.2Very low40.3Very low173 Ų173151.9 Ų151.981%0.80880%0.798SS**  trans-109.3151.5175.1-67.6167.411300108.8
134D36.9Very low40.2Very low165 Ų165152.1 Ų152.188%0.88280%0.797SS**  trans-176.7149131.4-106.7-33.9000112.5
135K45.4Very low40.4Very low195 Ų195148.4 Ų148.485%0.84879%0.792SS**  trans-164.9113.4168.9-161.8-162.6-176-160.20113.6
136P47.9Very low40.7Very low107 Ų107148.2 Ų148.270%0.69579%0.789SS**  trans-116.8-178.4151.917.53.3000110.9
137E40.5Very low40.8Very low189 Ų189142.8 Ų142.888%0.88378%0.782SS**  cis-172.7154.7-44.6-179160.8-178.500106.6
138G32.4Very low41.4Very low78 Ų78139.1 Ų139.180%0.80479%0.786SS**  trans82.6146.8178.100000115
139G35.1Very low42.2Very low81 Ų81133.7 Ų133.784%0.83578%0.782SS**  cis137.794.7-600000112.5
140A39.3Very low42.9Very low102 Ų102135 Ų13584%0.84379%0.794SS**  trans-158136.9168.800000110
141D37.6Very low43.5Very low144 Ų144136.8 Ų136.877%0.7780%0.796SS**  trans-108135.4-165.6-77.3-81.6000114.3
142F32.9Very low43.9Very low196 Ų196137.1 Ų137.186%0.8680%0.798SS**  trans51.4157.7152.6-75.3-90.6000122.1
143P56.3Low45.1Very low114 Ų114138.2 Ų138.274%0.7480%0.796SS**  trans-114.4135-167.838.5-26.9000116.1
144V48Very low45.8Very low130 Ų130142 Ų14279%0.78880%0.803SS**  trans-172136.6162132.10000104.3
145D41Very low46Very low122 Ų122137 Ų13765%0.65279%0.79SS**  cis-126.7142.625.4-88.5-62.5000111.8
146K46.1Very low46.5Very low181 Ų181140.5 Ų140.579%0.78780%0.798SS**  82.9150.873.6-137.6143.1-178178.30113.8
147P45.4Very low46.5Very low106 Ų106138.7 Ų138.769%0.68880%0.799SS**  cis-123.1-174.3-23.225.5-2.7000113.7
148S49.3Very low47.6Very low118 Ų118133.8 Ų133.883%0.82580%0.799SS**SBendtrans43.3102.5151.956.80000119.7
149G49.8Very low48.7Very low72 Ų72133.3 Ų133.374%0.74279%0.794SS**SBendtrans177.2-118.5172.200000109.9R151G149-R151 PolarHBondContact O-N 2.9Å
150D49.9Very low49.5Very low168 Ų168141.6 Ų141.690%0.89880%0.8SS**  trans-87108-175.7-69.1-75000114.3P152D150-P152 WeakPolarHBondContact O-CD 3.49Å
151R50.4Low50.2Low232 Ų232140.4 Ų140.488%0.87580%0.798SS**  trans-103.496.2164.4-169.8178.4-170.6124-2.8109.5G149G149-R151 PolarHBondContact O-N 2.9Å
152P59.9Low51.1Low104 Ų104137.5 Ų137.568%0.67580%0.802SS**  trans-59.4134.9174.424.2-33.2000109.9D150 R154D150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-R154 PolarHBondContact O-N 3.46Å
153P60.9Low52.3Low125 Ų125139.7 Ų139.781%0.81280%0.804SS**  trans-67106.2-172.624.8-33.5000111.3G155P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 PolarHBondContact O-N 2.98Å
154R55.6Low52.3Low254 Ų254138.4 Ų138.496%0.95881%0.812SS**  trans-75.273.5176.9-168.8-172.7-171.698.5-5.4110.6P152P152-R154 PolarHBondContact O-N 3.46Å
155G42.6Very low52.5Low60 Ų60135 Ų13562%0.61980%0.804SS**SBendtrans-152.9151179.800000112.9P153 G157P153-G155 VanDerWaalsContact C-N 3.26Å; P153-G155 PolarHBondContact O-N 2.98Å; G155-G157 PolarHBondContact O-N 2.96Å; G155-G157 VanDerWaalsContact O-N 3.15Å
156R56.2Low53.4Low268 Ų268141.9 Ų141.9100%1.01182%0.82SS**SBendtrans-72.1101.8173.1-72.1178.8173.5-178.1-1.7109.7
157G48Very low54Low69 Ų69136.1 Ų136.171%0.71181%0.813SS**  trans-174.1123.9173.100000110.5G155 G159G155-G157 PolarHBondContact O-N 2.96Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G157-G159 PolarHBondContact O-N 3.05Å
158G61.7Low54.4Low85 Ų85143.2 Ų143.288%0.87683%0.826SS**  trans-77.1109.4-16900000113.9
159G56.1Low54.8Low69 Ų69141.6 Ų141.671%0.71183%0.828SS**  trans-94.6135.9162.200000111G157G157-G159 PolarHBondContact O-N 3.05Å
160R52.7Low55Low254 Ų254147.2 Ų147.296%0.95884%0.837SS**SBendtrans69.1120.4-170.2-54.6177.1176.8163.4-0.4114.4
161G53.6Low55.4Low78 Ų78141.7 Ų141.780%0.80482%0.82SS**  trans75.835.6157.600000117.7R163G161-R163 PolarHBondContact O-N 3.15Å
162G57.4Low55.8Low82 Ų82141.1 Ų141.185%0.84582%0.818SS**  trans-66.956.4178.900000116.6
163R56.3Low55.7Low242 Ų242139.4 Ų139.491%0.91382%0.818SS**  trans-102.227.9165.5-73.6-166.3-180-1793.2113.1G161 G165G161-R163 PolarHBondContact O-N 3.15Å; R163-G165 PolarHBondContact O-N 3.36Å
164G57.3Low55.5Low88 Ų88141.6 Ų141.691%0.90782%0.818SS**  trans-72.568.5157.700000110.8
165G53.2Low55.7Low59 Ų59132.5 Ų132.561%0.60880%0.803SS**SBendtrans-174.7125.8-177.100000112R163 G167R163-G165 PolarHBondContact O-N 3.36Å; G165-G167 VanDerWaalsContact C-N 3.33Å; G165-G167 PolarHBondContact O-N 3.28Å
166R59.9Low57Low265 Ų265136.6 Ų136.6100%180%0.804SS**  trans-76.182.6179.5-61-179.5-174.794.1-0.2109.6
167G58.5Low57.5Low61 Ų61126.8 Ų126.863%0.62977%0.772SS**  trans-113.6129.1-176.200000112.9G165G165-G167 VanDerWaalsContact C-N 3.33Å; G165-G167 PolarHBondContact O-N 3.28Å
168R53.4Low58.2Low254 Ų254129 Ų12996%0.95878%0.776SS**SBendtrans69.8106.6-177.7-51.9179.8-175-170.6-0.8112.8
169G57.8Low58.4Low85 Ų85134.3 Ų134.388%0.87677%0.769SS**  trans-73.1140.5176.600000111.7
170M53Low59.2Low190 Ų190132.7 Ų132.794%0.93675%0.753SS**  trans-121.8135.8164.1-166.161.3176.600108R172M170-R172 PolarHBondContact O-N 2.85Å
171G59Low59.8Low51 Ų51125.9 Ų125.953%0.52673%0.73SS.*SBendtrans-69110.2-160.700000115.7
172R58.8Low60.9Low221 Ų221129.8 Ų129.883%0.83472%0.721SS**  trans-137.956.9154.1-67.5-61.9177.2-120.511.5109.6M170M170-R172 PolarHBondContact O-N 2.85Å
173G56.8Low61.6Low67 Ų67129 Ų12969%0.69170%0.695SS**  trans-91-0.9178.900000114.2G175G173-G175 PolarHBondContact O-N 3.39Å
174E57.7Low62.2Low172 Ų172122 Ų12280%0.80467%0.671SS**SBendtrans-84.5104.9176.6-67.6139.212600109.6
175G60.3Low63.3Low62 Ų62124 Ų12464%0.63966%0.661SS**SBendtrans95.31317300000117.3G173G173-G175 PolarHBondContact O-N 3.39Å
176F68.4Low64.8Low147 Ų147131.3 Ų131.365%0.64567%0.671SS**  trans-125.479.8167.1-165.3-95.7000111.1S178F176-S178 PolarHBondContact O-N 3.35Å; F176-S178 VanDerWaalsContact O-N 3.08Å
177D66.6Low65.6Low62 Ų62124.5 Ų124.533%0.33265%0.65SS.*  trans-62.6113.8178.8-171.90.9000111.1R179 G180D177-R179 PolarHBondContact O-N 2.84Å; D177-R179 VanDerWaalsContact O-N 3.11Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.14Å; D177-G180 PolarHBondContact O-N 3.07Å; D177-G180 VanDerWaalsContact O-N 3.16Å
178S63.7Low66.5Low114 Ų114125.7 Ų125.780%0.79765%0.649SS**THydrogen-bonded Turntrans-68.7-5.8179.5-62.80000113.1F176F176-S178 PolarHBondContact O-N 3.35Å; F176-S178 VanDerWaalsContact O-N 3.08Å
179R66.6Low67.4Low197 Ų197119 Ų11974%0.74364%0.636SS**THydrogen-bonded Turntrans-94.88.2175.4-59.6170.2175.8151.3-1.9113.3D177 R182D177-R179 PolarHBondContact O-N 2.84Å; D177-R179 VanDerWaalsContact O-N 3.11Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.14Å; R179-R182 PolarHBondContact O-NH2 3.45Å
180G71.1Confident68.2Low36 Ų36119 Ų11937%0.37162%0.616SS.*  trans84.6168.9177.900000113.5D177 R182D177-G180 PolarHBondContact O-N 3.07Å; D177-G180 VanDerWaalsContact O-N 3.16Å; G180-R182 PolarHBondContact O-N 3Å
181K65.8Low68.7Low110 Ų110116.5 Ų116.548%0.47861%0.607SS.*SBendtrans-70.835.7-159.4-71.5-76163.1-160.30117.3E183 F184 D185K181-E183 IonicContact NZ-OE1 2.63Å; K181-E183 PolarHBondContact NZ-OE1 2.96Å; K181-E183 PolarHBondContact O-N 3.47Å; K181-F184 HydrophobicContact CB-CD2 4.36Å; K181-F184 HydrophobicContact CD-CD2 3.31Å; K181-F184 HydrophobicContact CD-CE2 3.64Å; K181-F184 HydrophobicContact CD-CG 4.28Å; K181-F184 HydrophobicContact CG-CD2 4.44Å; K181-F184 VanDerWaalsContact NZ-CE2 3.25Å; K181-F184 PolarHBondContact O-N 2.74Å; K181-D185 PolarHBondContact O-N 2.84Å
182R76.2Confident69Low161 Ų161122.8 Ų122.861%0.60862%0.619SS**Hα-helixtrans-65.4-20.7175-87.6174-76.6-150.2-7.8114.5R179 G180 F184 D185R179-R182 PolarHBondContact O-NH2 3.45Å; G180-R182 PolarHBondContact O-N 3Å; R182-F184 PolarHBondContact O-N 2.93Å; R182-D185 WeakPolarHBondContact O-CB 3.35Å; R182-D185 PolarHBondContact O-N 2.86Å
183E73.1Confident69.1Low66 Ų66115 Ų11531%0.30860%0.599SS.*Hα-helixtrans-63.3-29.416770.1-158.7160.800112.1K181 H187K181-E183 IonicContact NZ-OE1 2.63Å; K181-E183 PolarHBondContact NZ-OE1 2.96Å; K181-E183 PolarHBondContact O-N 3.47Å; E183-H187 PolarHBondContact O-CD2 3.28Å
184F69.4Low69.2Low93 Ų93116.6 Ų116.641%0.40860%0.6SS.*Hα-helixtrans-93.9-11.3176-66.7-93.7000113.7K181 R182 R186 H187K181-F184 HydrophobicContact CB-CD2 4.36Å; K181-F184 HydrophobicContact CD-CD2 3.31Å; K181-F184 HydrophobicContact CD-CE2 3.64Å; K181-F184 HydrophobicContact CD-CG 4.28Å; K181-F184 HydrophobicContact CG-CD2 4.44Å; K181-F184 VanDerWaalsContact NZ-CE2 3.25Å; K181-F184 PolarHBondContact O-N 2.74Å; R182-F184 PolarHBondContact O-N 2.93Å; F184-R186 PolarHBondContact O-N 3.48Å; F184-H187 CarbonylContact O-C 3.47Å; F184-H187 WeakPolarHBondContact O-CA 3.42Å; F184-H187 PolarHBondContact O-N 3.42Å
185D80.1Confident69.3Low130 Ų130115.6 Ų115.670%0.69559%0.593SS**Hα-helixtrans-63.6-25.3-179.7-168.453.2000112.6K181 R182K181-D185 PolarHBondContact O-N 2.84Å; R182-D185 WeakPolarHBondContact O-CB 3.35Å; R182-D185 PolarHBondContact O-N 2.86Å
186R83.4Confident69.4Low214 Ų214119 Ų11981%0.80860%0.601SS**THydrogen-bonded Turntrans-99.49.9170.3-65.7-172.1177.981.50.5114F184F184-R186 PolarHBondContact O-N 3.48Å
187H78.4Confident68.8Low122 Ų122118.6 Ų118.657%0.56560%0.601SS**SBendtrans-124.198.6-179.4-64.9-27.1000109.7E183 F184 T189E183-H187 PolarHBondContact O-CD2 3.28Å; F184-H187 CarbonylContact O-C 3.47Å; F184-H187 WeakPolarHBondContact O-CA 3.42Å; F184-H187 PolarHBondContact O-N 3.42Å; H187-T189 PolarHBondContact O-N 2.95Å; H187-T189 PolarHBondContact O-OG1 3.26Å
188S77.2Confident68.5Low86 Ų86123.3 Ų123.360%0.60162%0.621SS**  trans-47.4102.2173.9177.70000110.1N190 S193S188-N190 PolarHBondContact O-N 2.93Å; S188-N190 VanDerWaalsContact O-N 3.14Å; S188-S193 PolarHBondContact OG-OG 3.14Å
189T72Confident68.2Low113 Ų113126.3 Ų126.369%0.69362%0.62SS**  trans-84.620.9-177.4-21.50000111.3H187H187-T189 PolarHBondContact O-N 2.95Å; H187-T189 PolarHBondContact O-OG1 3.26Å
190N73.9Confident67.8Low86 Ų86126.5 Ų126.546%0.4662%0.621SS.*  trans-102.798.3176.9174.327000107.6S188 K192 S193S188-N190 PolarHBondContact O-N 2.93Å; S188-N190 VanDerWaalsContact O-N 3.14Å; N190-K192 PolarHBondContact O-N 3.09Å; N190-K192 WeakPolarHBondContact OD1-CB 3.45Å; N190-K192 WeakPolarHBondContact OD1-CG 3.46Å; N190-S193 PolarHBondContact O-N 2.84Å; N190-S193 PolarHBondContact O-OG 2.75Å
191D64.5Low67.2Low137 Ų137127.7 Ų127.773%0.73363%0.633SS**G310 helixtrans-52.8-21.7-175.1-56.3-64.2000113.7S193 S194D191-S193 PolarHBondContact O-N 2.97Å; D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.43Å; D191-S194 PolarHBondContact O-N 2.82Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.95Å
192K64.2Low66.9Low182 Ų182122.9 Ų122.979%0.79161%0.614SS**G310 helixtrans-61.3-23.4175.7-58.3179-178.6178.90114.2N190N190-K192 PolarHBondContact O-N 3.09Å; N190-K192 WeakPolarHBondContact OD1-CB 3.45Å; N190-K192 WeakPolarHBondContact OD1-CG 3.46Å
193S60.8Low66Low58 Ų58120.8 Ų120.841%0.40662%0.624SS.*G310 helixtrans-92.54.1176.168.80000114S188 N190 D191 K195S188-S193 PolarHBondContact OG-OG 3.14Å; N190-S193 PolarHBondContact O-N 2.84Å; N190-S193 PolarHBondContact O-OG 2.75Å; D191-S193 PolarHBondContact O-N 2.97Å; S193-K195 PolarHBondContact O-N 2.97Å
194S59.7Low65.6Low101 Ų101119.7 Ų119.771%0.70663%0.63SS**SBendtrans-68.4-22.3175.261.90000113.2D191 T196D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.43Å; D191-S194 PolarHBondContact O-N 2.82Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-S194 PolarHBondContact O-OG 2.95Å; S194-T196 PolarHBondContact O-N 3.41Å
195K60.2Low65.3Low151 Ų151120.8 Ų120.866%0.65765%0.65SS**  trans-81.3102.7162.5-73.4-169.7169.7-163.90109.8S193 E197S193-K195 PolarHBondContact O-N 2.97Å; K195-E197 HydrophobicContact CB-CB 4.28Å; K195-E197 IonicContact NZ-OE2 2.67Å; K195-E197 PolarHBondContact NZ-OE2 3.03Å; K195-E197 PolarHBondContact O-N 3.31Å
196T61.3Low64.4Low132 Ų132122.7 Ų122.781%0.8165%0.654SS**  trans-7260.5152.853.50000109.3S194 E198S194-T196 PolarHBondContact O-N 3.41Å; T196-E198 PolarHBondContact O-N 3.39Å
197E57.3Low63.8Low139 Ų139115.8 Ų115.865%0.6563%0.633SS**  trans-69.7116.1170.6-168166.1144.100106.8K195 K199K195-E197 HydrophobicContact CB-CB 4.28Å; K195-E197 IonicContact NZ-OE2 2.67Å; K195-E197 PolarHBondContact NZ-OE2 3.03Å; K195-E197 PolarHBondContact O-N 3.31Å; E197-K199 PolarHBondContact O-N 3.27Å
198E59.9Low63.5Low161 Ų161122.5 Ų122.575%0.75265%0.654SS**  trans-66.993.4-168.5-75.9-174.891.400111.7T196 R200T196-E198 PolarHBondContact O-N 3.39Å; E198-R200 HydrophobicContact CB-CB 3.95Å; E198-R200 PolarHBondContact O-N 2.98Å; E198-R200 VanDerWaalsContact OE1-CD 3.26Å; E198-R200 WeakPolarHBondContact OE1-CD 3.39Å
199K56.8Low63.2Low177 Ų177120.5 Ų120.577%0.7765%0.646SS**  trans-65.130.2157.8-70.7-74.3-175175.40112.2E197 G201E197-K199 PolarHBondContact O-N 3.27Å; K199-G201 PolarHBondContact O-N 2.99Å
200R58.7Low63.2Low202 Ų202117 Ų11776%0.76263%0.625SS**  trans-84.247-178-164.9168.8178.169.64.8110.8E198E198-R200 HydrophobicContact CB-CB 3.95Å; E198-R200 PolarHBondContact O-N 2.98Å; E198-R200 VanDerWaalsContact OE1-CD 3.26Å; E198-R200 WeakPolarHBondContact OE1-CD 3.39Å
201G58.5Low62.9Low61 Ų61118.2 Ų118.263%0.62964%0.636SS**SBendtrans-167.263.1-175.300000107.2K199 S203K199-G201 PolarHBondContact O-N 2.99Å; G201-S203 PolarHBondContact O-N 2.96Å
202G59.6Low63.1Low8 Ų8119.6 Ų119.68%0.08264%0.635CS.*  trans-74.927.4-162.200000115.7G204 N207G202-G204 PolarHBondContact O-N 3.27Å; G202-N207 VanDerWaalsContact C-ND2 3.26Å; G202-N207 VanDerWaalsContact O-CB 3.25Å; G202-N207 WeakPolarHBondContact O-CB 3.47Å; G202-N207 PolarHBondContact O-ND2 3.35Å
203S57.4Low63.4Low117 Ų117113.2 Ų113.282%0.81861%0.61SS**  trans-67.2105.4179.3-169.50000110.5G201G201-S203 PolarHBondContact O-N 2.96Å
204G64Low63.8Low43 Ų43116 Ų11644%0.44362%0.616SS.*SBendtrans152.4142177.900000113G202 H206 N207G202-G204 PolarHBondContact O-N 3.27Å; G204-H206 PolarHBondContact O-N 2.85Å; G204-N207 PolarHBondContact N-ND2 3.38Å; G204-N207 PolarHBondContact O-N 3Å; G204-N207 PolarHBondContact O-ND2 3.44Å
205S62.5Low64.3Low117 Ų117115.5 Ų115.582%0.81861%0.608SS**THydrogen-bonded Turntrans-62.64.8-167.758.50000117.8
206H62.9Low64.8Low169 Ų169110.2 Ų110.278%0.78259%0.591SS**THydrogen-bonded Turntrans-126.65.7-179.5-68.364.5000112.5G204G204-H206 PolarHBondContact O-N 2.85Å
207N71.1Confident65Low70 Ų70110.2 Ų110.237%0.37458%0.582SS.*SBendtrans-89.1143.1171.2-57.8-64.5000109.5G202 G204 G209G202-N207 VanDerWaalsContact C-ND2 3.26Å; G202-N207 VanDerWaalsContact O-CB 3.25Å; G202-N207 WeakPolarHBondContact O-CB 3.47Å; G202-N207 PolarHBondContact O-ND2 3.35Å; G204-N207 PolarHBondContact N-ND2 3.38Å; G204-N207 PolarHBondContact O-N 3Å; G204-N207 PolarHBondContact O-ND2 3.44Å; N207-G209 PolarHBondContact O-N 2.94Å
208W71.3Confident65.3Low263 Ų263106.6 Ų106.6100%0.99658%0.575SS**  trans-83.339.3-176.3-72.160000112.4
209G70.1Confident65.3Low43 Ų43106.2 Ų106.244%0.44357%0.573SS.*  trans63.5173.6-171.600000114.7N207N207-G209 PolarHBondContact O-N 2.94Å
210T72.7Confident65.1Low40 Ų40104.9 Ų104.925%0.24557%0.57CS.*  trans-135.7157.2152.677.80000108.1K212 D213 E214T210-K212 PolarHBondContact O-N 2.73Å; T210-K212 PolarHBondContact OG1-N 2.8Å; T210-D213 WeakPolarHBondContact CB-OD2 3.4Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.43Å; T210-D213 PolarHBondContact N-OD2 2.75Å; T210-D213 WeakPolarHBondContact O-CA 3.44Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 2.77Å; T210-D213 PolarHBondContact OG1-N 3.43Å; T210-D213 PolarHBondContact OG1-OD2 3.26Å; T210-E214 PolarHBondContact O-N 2.96Å; T210-E214 VanDerWaalsContact O-N 3.09Å
211V67.1Low64.4Low112 Ų112100.4 Ų100.468%0.67957%0.565SS**Hα-helixtrans-57.9-17.1177.3-175.50000113E214 V215V211-E214 WeakPolarHBondContact CA-OE2 3.49Å; V211-V215 WeakPolarHBondContact O-CG2 3.5Å
212K68.8Low63.8Low166 Ų166101.1 Ų101.172%0.72257%0.566SS**Hα-helixtrans-85.7-28.8173.8-168.1161.9178.856.40113T210 S216T210-K212 PolarHBondContact O-N 2.73Å; T210-K212 PolarHBondContact OG1-N 2.8Å; K212-S216 PolarHBondContact O-N 3.16Å
213D71.6Confident62.7Low48 Ų48104.6 Ų104.626%0.25759%0.593SS.*Hα-helixtrans-70.2-44.2171.7-54.6-65.1000109.7T210 V215 S216 E217T210-D213 WeakPolarHBondContact CB-OD2 3.4Å; T210-D213 WeakPolarHBondContact CG2-OD2 3.43Å; T210-D213 PolarHBondContact N-OD2 2.75Å; T210-D213 WeakPolarHBondContact O-CA 3.44Å; T210-D213 WeakPolarHBondContact O-CB 3.26Å; T210-D213 PolarHBondContact O-N 2.77Å; T210-D213 PolarHBondContact OG1-N 3.43Å; T210-D213 PolarHBondContact OG1-OD2 3.26Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 3.02Å; D213-S216 WeakPolarHBondContact CA-OG 3.34Å; D213-S216 CarbonylContact O-C 3.5Å; D213-S216 WeakPolarHBondContact O-CA 3.42Å; D213-S216 PolarHBondContact O-N 2.82Å; D213-S216 PolarHBondContact O-OG 2.97Å; D213-E217 PolarHBondContact O-N 2.81Å
214E68.8Low62Low116 Ų116104.8 Ų104.854%0.54259%0.592SS.*Hα-helixtrans-52.8-45.6175.1-66.9173.3165.200112.8T210 V211 E217 A218T210-E214 PolarHBondContact O-N 2.96Å; T210-E214 VanDerWaalsContact O-N 3.09Å; V211-E214 WeakPolarHBondContact CA-OE2 3.49Å; E214-E217 PolarHBondContact O-N 2.8Å; E214-A218 PolarHBondContact O-N 3.47Å
215V70.4Confident60.8Low90 Ų90111.2 Ų111.255%0.54561%0.61SS.*Hα-helixtrans-65.5-39.1175.8171.90000111.5V211 D213 E217 E219V211-V215 WeakPolarHBondContact O-CG2 3.5Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 3.02Å; V215-E217 VanDerWaalsContact C-N 3.34Å; V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.96Å
216S71.1Confident59.9Low40 Ų40111.9 Ų111.928%0.2861%0.612SS.*Hα-helixtrans-74.3-23.4178.5730000113.8K212 D213 Q220K212-S216 PolarHBondContact O-N 3.16Å; D213-S216 WeakPolarHBondContact CA-OG 3.34Å; D213-S216 CarbonylContact O-C 3.5Å; D213-S216 WeakPolarHBondContact O-CA 3.42Å; D213-S216 PolarHBondContact O-N 2.82Å; D213-S216 PolarHBondContact O-OG 2.97Å; S216-Q220 VanDerWaalsContact O-CB 3.29Å; S216-Q220 WeakPolarHBondContact O-CB 3.31Å; S216-Q220 VanDerWaalsContact O-CG 3.26Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 2.75Å; S216-Q220 PolarHBondContact O-NE2 3.29Å
217E64.1Low58.4Low133 Ų133109.8 Ų109.862%0.62161%0.611SS**Hα-helixtrans-75-45.8172.3-172.7170.4179.400109.9D213 E214 V215 E219 Q220 T221D213-E217 PolarHBondContact O-N 2.81Å; E214-E217 PolarHBondContact O-N 2.8Å; V215-E217 VanDerWaalsContact C-N 3.34Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 2.93Å; E217-Q220 PolarHBondContact O-N 3.11Å; E217-Q220 VanDerWaalsContact O-N 3.15Å; E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 2.76Å; E217-T221 PolarHBondContact O-OG1 2.94Å
218A64.7Low57.2Low63 Ų63111.9 Ų111.952%0.52163%0.628SS.*Hα-helixtrans-56.4-43171.100000112.2E214 T221E214-A218 PolarHBondContact O-N 3.47Å; A218-T221 PolarHBondContact O-N 3.29Å; A218-T221 PolarHBondContact O-OG1 3.39Å
219E59.4Low55.3Low152 Ų152108.6 Ų108.671%0.7162%0.624SS**Hα-helixtrans-69.1-34.7176.7-166.2168.1-147.500112.7V215 E217 A222V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.96Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 2.93Å; E219-A222 WeakPolarHBondContact O-CB 3.42Å; E219-A222 PolarHBondContact O-N 3.03Å
220Q52.5Low53.5Low149 Ų149110 Ų11070%0.69664%0.639SS**Hα-helixtrans-75.9-25.6174.6-80.1168.575.500113.9S216 E217 A222S216-Q220 VanDerWaalsContact O-CB 3.29Å; S216-Q220 WeakPolarHBondContact O-CB 3.31Å; S216-Q220 VanDerWaalsContact O-CG 3.26Å; S216-Q220 WeakPolarHBondContact O-CG 3.38Å; S216-Q220 PolarHBondContact O-N 2.75Å; S216-Q220 PolarHBondContact O-NE2 3.29Å; E217-Q220 PolarHBondContact O-N 3.11Å; E217-Q220 VanDerWaalsContact O-N 3.15Å; Q220-A222 PolarHBondContact O-N 2.8Å
221T43.3Very low51.6Low108 Ų108117.3 Ų117.366%0.66367%0.67SS**THydrogen-bonded Turntrans-72.7-10.4170.555.70000113.4E217 A218 A223E217-T221 WeakPolarHBondContact O-CG2 3.22Å; E217-T221 PolarHBondContact O-N 2.76Å; E217-T221 PolarHBondContact O-OG1 2.94Å; A218-T221 PolarHBondContact O-N 3.29Å; A218-T221 PolarHBondContact O-OG1 3.39Å; T221-A223 PolarHBondContact O-N 3.23Å; T221-A223 VanDerWaalsContact O-N 3.14Å
222A47Very low50.2Low77 Ų77119.9 Ų119.964%0.63668%0.675SS**  trans-84.739.7175.800000113.5E219 Q220E219-A222 WeakPolarHBondContact O-CB 3.42Å; E219-A222 PolarHBondContact O-N 3.03Å; Q220-A222 PolarHBondContact O-N 2.8Å
223A35.1Very low48.2Very low80 Ų80119 Ų11966%0.66168%0.678SS**PPolyproline II helixtrans-78.7125.9169.600000110T221T221-A223 PolarHBondContact O-N 3.23Å; T221-A223 VanDerWaalsContact O-N 3.14Å
224P44.5Very low46.4Very low122 Ų122120.8 Ų120.879%0.79270%0.7SS**PPolyproline II helixtrans-72.9156.4-174.929.2-35.5000113.5
225E37.2Very low45.4Very low178 Ų178121.3 Ų121.383%0.83271%0.713SS**PPolyproline II helixtrans-58.7139.3176.3-71.3-175.2104.700112.8T227E225-T227 PolarHBondContact O-N 2.89Å
226P44.2Very low43.6Very low130 Ų130122.2 Ų122.284%0.84473%0.73SS**  trans-82.7109.8170.932.1-31.9000111.4
227T31.2Very low41.5Very low126 Ų126123.9 Ų123.977%0.77375%0.753SS**  trans-116.6144.7163.851.30000110.9E225E225-T227 PolarHBondContact O-N 2.89Å
228P45.5Very low40.2Very low113 Ų113123 Ų12373%0.73476%0.762SS**  trans-111.9171.1-15943.4-37000116.1
229E31.5Very low38.7Very low194 Ų194127.9 Ų127.991%0.90777%0.774SS**  trans74.7154165-50.5-169.7162.700118.8
230G32.1Very low37.3Very low73 Ų73126.5 Ų126.575%0.75377%0.771SS**  trans8991179.900000114.3
231E33.5Very low36.8Very low193 Ų193129.4 Ų129.490%0.90278%0.782SS**  85.1106.759.6-162.6169.1-149.500114.5
232E38.1Very low36.3Very low166 Ų166132.7 Ų132.778%0.77679%0.789SS**  trans2121.4159.3-161.7173-120.200120.2
233N26.8Very low35.6Very low148 Ų148136.2 Ų136.279%0.79180%0.798SS**  178.5154.1116.1-103.8-82.8000115.3
234A32.5Very low35.6Very low86 Ų86140.1 Ų140.171%0.71180%0.802SS**  trans-158.5169.1163.500000108
235P48.9Very low34.9Very low127 Ų127140.2 Ų140.283%0.82580%0.8SS**  cis-132164.3-441-26.1000115.1
236A33.3Very low34.8Very low108 Ų108140.2 Ų140.289%0.89380%0.8SS**  trans-178150.3150.600000110.5
237G27.1Very low34.7Very low75 Ų75140.5 Ų140.577%0.77379%0.79SS**  cis157.665.4-6.400000115.3
238S35.2Very low34.8Very low116 Ų116141.6 Ų141.681%0.81180%0.796SS**  trans-172.1154.7168.850.60000111.1
239E33.2Very low34.7Very low164 Ų164142.9 Ų142.977%0.76679%0.791SS**  cis-160.8138.5-22.6174.4179.3154.600108.8
240N30.4Very low35.3Very low124 Ų124142.5 Ų142.566%0.66379%0.789SS**  trans43.699.4161.3-64.3-34.6000119.7
241K41.5Very low35.8Very low209 Ų209148.8 Ų148.891%0.90980%0.798SS**  -155.371.9109.8-152.8145.9-165.7167.20113.8
242E33.8Very low36.2Very low177 Ų177142.8 Ų142.883%0.82779%0.788SS**  trans-64.3141163.7-61.8176.2151.300110.2
243N31.8Very low37.1Very low152 Ų152140.7 Ų140.781%0.81379%0.789SS**  trans-151.1139.3144.1-148.492.3000107.7
244E34.7Very low37.9Very low162 Ų162143.4 Ų143.476%0.75779%0.794SS**  trans-49.4143.6-171.8-73.1158.512000113.8
245V30.4Very low38.8Very low123 Ų123146.9 Ų146.975%0.74580%0.796SS**  57122.768.1177.60000109.1
246E35.5Very low39.1Very low178 Ų178148 Ų14883%0.83279%0.792SS**  cis-146.5-164.829.1-149.6158.2-150.200112.7
247E43Very low40.5Very low137 Ų137146.4 Ų146.464%0.6477%0.771SS**  trans-43.6135.2-168.8-58.3-168.397.900119.3K249E247-K249 WeakPolarHBondContact OE1-CE 3.37Å; E247-K249 IonicContact OE1-NZ 2.66Å; E247-K249 PolarHBondContact OE1-NZ 3.21Å; E247-K249 IonicContact OE2-NZ 3.38Å; E247-K249 PolarHBondContact OE2-NZ 2.58Å
248V33.4Very low41.9Very low148 Ų148149.3 Ų149.390%0.89777%0.768SS**  trans-127.4127.7139.8178.70000108.8
249K41.9Very low43.5Very low141 Ų141148.8 Ų148.861%0.61376%0.756SS**  trans-90.9137.3-176-65.3176.2173.663.60111.6E247E247-K249 WeakPolarHBondContact OE1-CE 3.37Å; E247-K249 IonicContact OE1-NZ 2.66Å; E247-K249 PolarHBondContact OE1-NZ 3.21Å; E247-K249 IonicContact OE2-NZ 3.38Å; E247-K249 PolarHBondContact OE2-NZ 2.58Å
250Q45Very low45.7Very low186 Ų186146.1 Ų146.187%0.86974%0.744SS**  trans50.5110157.9-60.8-179.63.500119
251E42.1Very low47.4Very low204 Ų204149.9 Ų149.995%0.95375%0.749SS**  trans-133.8160133.6-77.4-155.2161.300110.2
252G42.1Very low48.8Very low67 Ų67145.2 Ų145.269%0.69173%0.728SS**  trans-90-169.8-163.200000116.8
253P55.9Low50.1Low123 Ų123138.8 Ų138.880%0.79971%0.705SS**  trans-70136.9-172.429.3-35.5000112.5E255P253-E255 PolarHBondContact O-N 3.37Å
254K44.5Very low51.5Low204 Ų204137 Ų13789%0.88769%0.693SS**  trans-87.4101172.7-166.2165-172.7171.10110.9M256K254-M256 PolarHBondContact O-N 3.42Å
255E51.3Low52.6Low160 Ų160132.5 Ų132.575%0.74867%0.673SS**  trans-59119.5176.4-57.3173.4154.400111.4P253 T257P253-E255 PolarHBondContact O-N 3.37Å; E255-T257 PolarHBondContact O-N 3.13Å
256M54.9Low54Low150 Ų150131.5 Ų131.574%0.73966%0.663SS**  trans-77.7115157.9-69.7-58.3-61.400107.3K254 E260K254-M256 PolarHBondContact O-N 3.42Å; M256-E260 VanDerWaalsContact CE-OE2 3.27Å; M256-E260 WeakPolarHBondContact CE-OE2 3.45Å
257T62.9Low55.3Low74 Ų74129.2 Ų129.245%0.45465%0.65SS.*  trans-70.5140.5-160.464.10000113.3E255 D259 E260E255-T257 PolarHBondContact O-N 3.13Å; T257-D259 PolarHBondContact O-N 2.64Å; T257-E260 PolarHBondContact O-N 3.39Å; T257-E260 VanDerWaalsContact O-N 3.12Å
258L57.5Low56.1Low137 Ų137129.5 Ų129.572%0.71765%0.652SS**Hα-helixtrans-59.5-17.2-173.8-67.6171.8000114.6K262L258-K262 WeakPolarHBondContact O-CG 3.32Å; L258-K262 PolarHBondContact O-N 2.9Å
259D67.3Low57.3Low104 Ų104130.8 Ų130.856%0.55664%0.64SS**Hα-helixtrans-79.5-23.6-179-64-30.3000112.8T257 K262 A263T257-D259 PolarHBondContact O-N 2.64Å; D259-K262 WeakPolarHBondContact OD1-CD 3.49Å; D259-K262 WeakPolarHBondContact OD1-CE 3.29Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.81Å; D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.84Å
260E79.3Confident57.8Low109 Ų109128.8 Ų128.851%0.50964%0.64SS.*Hα-helixtrans-68.2-40.2172.6-63.2-172.9158.900111.3M256 T257 A263 M264M256-E260 VanDerWaalsContact CE-OE2 3.27Å; M256-E260 WeakPolarHBondContact CE-OE2 3.45Å; T257-E260 PolarHBondContact O-N 3.39Å; T257-E260 VanDerWaalsContact O-N 3.12Å; E260-A263 PolarHBondContact O-N 3.45Å; E260-M264 WeakPolarHBondContact O-CG 3.41Å; E260-M264 PolarHBondContact O-N 3.47Å
261W66.2Low58.5Low203 Ų203127.5 Ų127.577%0.76963%0.632SS**Hα-helixtrans-69.2-39.2175-107.689.7000112.8A263 M264 Q265W261-A263 VanDerWaalsContact C-N 3.31Å; W261-A263 PolarHBondContact O-N 3.3Å; W261-M264 WeakPolarHBondContact O-CB 3.4Å; W261-M264 PolarHBondContact O-N 3.23Å; W261-M264 VanDerWaalsContact O-N 3.12Å; W261-Q265 PolarHBondContact O-N 3.47Å
262K70.8Confident59.5Low110 Ų110123.2 Ų123.248%0.47862%0.619SS.*Hα-helixtrans-60.4-42.7170.4-68169.4-156.81600111L258 D259 M264 Q265 D266L258-K262 WeakPolarHBondContact O-CG 3.32Å; L258-K262 PolarHBondContact O-N 2.9Å; D259-K262 WeakPolarHBondContact OD1-CD 3.49Å; D259-K262 WeakPolarHBondContact OD1-CE 3.29Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.81Å; K262-M264 PolarHBondContact O-N 2.87Å; K262-M264 VanDerWaalsContact O-N 3.1Å; K262-Q265 PolarHBondContact O-N 2.82Å; K262-Q265 VanDerWaalsContact O-N 3.17Å; K262-D266 WeakPolarHBondContact O-CB 3.42Å; K262-D266 PolarHBondContact O-N 2.92Å
263A62Low60.5Low42 Ų42127.6 Ų127.635%0.34762%0.622SS.*Hα-helixtrans-67.3-5.8176.600000114.4D259 E260 W261 K267D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.84Å; E260-A263 PolarHBondContact O-N 3.45Å; W261-A263 VanDerWaalsContact C-N 3.31Å; W261-A263 PolarHBondContact O-N 3.3Å; A263-K267 WeakPolarHBondContact O-CD 3.26Å; A263-K267 WeakPolarHBondContact O-CE 3.3Å; A263-K267 WeakPolarHBondContact O-CG 3.25Å; A263-K267 PolarHBondContact O-NZ 2.97Å
264M60.5Low60.8Low114 Ų114128.9 Ų128.956%0.56262%0.615SS**Hα-helixtrans-89.3-53.9165.5-63.1-80.6-100.900109.8E260 W261 K262 D266 K267 E268E260-M264 WeakPolarHBondContact O-CG 3.41Å; E260-M264 PolarHBondContact O-N 3.47Å; W261-M264 WeakPolarHBondContact O-CB 3.4Å; W261-M264 PolarHBondContact O-N 3.23Å; W261-M264 VanDerWaalsContact O-N 3.12Å; K262-M264 PolarHBondContact O-N 2.87Å; K262-M264 VanDerWaalsContact O-N 3.1Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.9Å; M264-K267 WeakPolarHBondContact O-CA 3.1Å; M264-K267 WeakPolarHBondContact O-CB 3.37Å; M264-K267 PolarHBondContact O-N 2.75Å; M264-E268 PolarHBondContact O-N 2.98Å; M264-E268 VanDerWaalsContact O-N 3.07Å
265Q57.3Low61.8Low68 Ų68127.6 Ų127.632%0.31862%0.618SS.*Hα-helixtrans-59.2-36.7178.2-93.1-78.9-79.400113.6W261 K262 K267 E268 R269W261-Q265 PolarHBondContact O-N 3.47Å; K262-Q265 PolarHBondContact O-N 2.82Å; K262-Q265 VanDerWaalsContact O-N 3.17Å; Q265-K267 VanDerWaalsContact C-N 3.29Å; Q265-K267 PolarHBondContact O-N 2.93Å; Q265-E268 PolarHBondContact NE2-OE2 2.92Å; Q265-E268 PolarHBondContact O-N 3.27Å; Q265-R269 VanDerWaalsContact O-CB 3.24Å; Q265-R269 WeakPolarHBondContact O-CB 3.16Å; Q265-R269 WeakPolarHBondContact O-CG 3.24Å; Q265-R269 PolarHBondContact O-N 3.23Å; Q265-R269 VanDerWaalsContact OE1-CZ 3.22Å
266D60.9Low62.8Low103 Ų103126.3 Ų126.355%0.55162%0.615SS**Hα-helixtrans-76.7-14.7177-71.4-28.8000113.3K262 M264K262-D266 WeakPolarHBondContact O-CB 3.42Å; K262-D266 PolarHBondContact O-N 2.92Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.9Å
267K62.8Low63.5Low129 Ų129128.6 Ų128.656%0.56162%0.615SS**Hα-helixtrans-79.1-41.3166.5-70.8172.1-166130.50111.1A263 M264 Q265 R269 T270A263-K267 WeakPolarHBondContact O-CD 3.26Å; A263-K267 WeakPolarHBondContact O-CE 3.3Å; A263-K267 WeakPolarHBondContact O-CG 3.25Å; A263-K267 PolarHBondContact O-NZ 2.97Å; M264-K267 WeakPolarHBondContact O-CA 3.1Å; M264-K267 WeakPolarHBondContact O-CB 3.37Å; M264-K267 PolarHBondContact O-N 2.75Å; Q265-K267 VanDerWaalsContact C-N 3.29Å; Q265-K267 PolarHBondContact O-N 2.93Å; K267-R269 VanDerWaalsContact C-N 3.35Å; K267-T270 VanDerWaalsContact O-CB 3.29Å; K267-T270 WeakPolarHBondContact O-CB 3.25Å; K267-T270 VanDerWaalsContact O-CG2 3.25Å; K267-T270 WeakPolarHBondContact O-CG2 3.15Å; K267-T270 PolarHBondContact O-N 2.97Å; K267-T270 PolarHBondContact O-OG1 3.49Å
268E60.3Low64.1Low143 Ų143132.4 Ų132.467%0.66863%0.625SS**Hα-helixtrans-69.3-35175.2-64.9170.6155.900111.6M264 Q265 T270M264-E268 PolarHBondContact O-N 2.98Å; M264-E268 VanDerWaalsContact O-N 3.07Å; Q265-E268 PolarHBondContact NE2-OE2 2.92Å; Q265-E268 PolarHBondContact O-N 3.27Å; E268-T270 PolarHBondContact O-N 2.87Å
269R57.1Low64.4Low175 Ų175132 Ų13266%0.6663%0.631SS**THydrogen-bonded Turntrans-84.628.7169.7-59.8168.6-174.1-147.82.6112.3Q265 K267 K271Q265-R269 VanDerWaalsContact O-CB 3.24Å; Q265-R269 WeakPolarHBondContact O-CB 3.16Å; Q265-R269 WeakPolarHBondContact O-CG 3.24Å; Q265-R269 PolarHBondContact O-N 3.23Å; Q265-R269 VanDerWaalsContact OE1-CZ 3.22Å; K267-R269 VanDerWaalsContact C-N 3.35Å; R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 2.95Å
270T53.8Low64.1Low99 Ų99133.8 Ų133.861%0.60764%0.64SS**  trans-65.692.4174.434.50000110.7K267 E268K267-T270 VanDerWaalsContact O-CB 3.29Å; K267-T270 WeakPolarHBondContact O-CB 3.25Å; K267-T270 VanDerWaalsContact O-CG2 3.25Å; K267-T270 WeakPolarHBondContact O-CG2 3.15Å; K267-T270 PolarHBondContact O-N 2.97Å; K267-T270 PolarHBondContact O-OG1 3.49Å; E268-T270 PolarHBondContact O-N 2.87Å
271K59.1Low63.1Low159 Ų159134.1 Ų134.169%0.69164%0.642SS**  trans41.795.5156.8-58.1164.8-170.8165.30113.1R269 E273R269-K271 VanDerWaalsContact C-N 3.3Å; R269-K271 PolarHBondContact O-N 2.95Å; K271-E273 HydrophobicContact CB-CG 3.9Å; K271-E273 WeakPolarHBondContact O-CG 3.38Å; K271-E273 PolarHBondContact O-N 3.12Å
272V63.9Low62.8Low114 Ų114127.4 Ų127.469%0.69164%0.636SS**  trans-6295.2156-176.80000106.8F274V272-F274 HydrophobicContact CB-CD2 4.2Å; V272-F274 HydrophobicContact CB-CE2 3.78Å; V272-F274 HydrophobicContact CB-CZ 4.18Å; V272-F274 HydrophobicContact CG1-CD1 4.2Å; V272-F274 HydrophobicContact CG1-CD2 3.9Å; V272-F274 HydrophobicContact CG1-CE1 3.86Å; V272-F274 HydrophobicContact CG1-CE2 3.53Å; V272-F274 HydrophobicContact CG1-CG 4.23Å; V272-F274 HydrophobicContact CG1-CZ 3.51Å; V272-F274 WeakPolarHBondContact O-CD2 3.49Å; V272-F274 PolarHBondContact O-N 3.37Å
273E62Low62.2Low159 Ų159125.3 Ų125.374%0.74364%0.639SS**  trans-75.471.3-178.1-66.9-162.2153.900109.7K271 N275K271-E273 HydrophobicContact CB-CG 3.9Å; K271-E273 WeakPolarHBondContact O-CG 3.38Å; K271-E273 PolarHBondContact O-N 3.12Å; E273-N275 PolarHBondContact O-N 2.9Å
274F62.5Low61.9Low151 Ų151129.5 Ų129.566%0.66266%0.656SS**  trans-53.6133.7166.4-63.2-78000109.2V272 I276V272-F274 HydrophobicContact CB-CD2 4.2Å; V272-F274 HydrophobicContact CB-CE2 3.78Å; V272-F274 HydrophobicContact CB-CZ 4.18Å; V272-F274 HydrophobicContact CG1-CD1 4.2Å; V272-F274 HydrophobicContact CG1-CD2 3.9Å; V272-F274 HydrophobicContact CG1-CE1 3.86Å; V272-F274 HydrophobicContact CG1-CE2 3.53Å; V272-F274 HydrophobicContact CG1-CG 4.23Å; V272-F274 HydrophobicContact CG1-CZ 3.51Å; V272-F274 WeakPolarHBondContact O-CD2 3.49Å; V272-F274 PolarHBondContact O-N 3.37Å; F274-I276 HydrophobicContact CB-CD1 3.88Å; F274-I276 HydrophobicContact CB-CG1 3.75Å; F274-I276 PolarHBondContact O-N 3.38Å
275N64.9Low62Low176 Ų176126.9 Ų126.994%0.94165%0.648SS**  trans-71.160.6172.6-82.1-57.6000111.6E273 R277E273-N275 PolarHBondContact O-N 2.9Å; N275-R277 PolarHBondContact O-N 2.96Å
276I72Confident62.2Low133 Ų133131.7 Ų131.768%0.68267%0.671SS**  trans-76.4115.8172.5-61167.2000106.7F274F274-I276 HydrophobicContact CB-CD1 3.88Å; F274-I276 HydrophobicContact CB-CG1 3.75Å; F274-I276 PolarHBondContact O-N 3.38Å
277R69.6Low62.2Low199 Ų199138.4 Ų138.475%0.75169%0.689SS**PPolyproline II helixtrans-50.2144.8171.3-66.9-173.4179.4111.43.4109.9N275 E281N275-R277 PolarHBondContact O-N 2.96Å; R277-E281 HydrophobicContact CB-CB 4.35Å
278K77.2Confident62.2Low154 Ų154140.2 Ų140.267%0.6770%0.697SS**PPolyproline II helixtrans-57.5142.9-177.8-61.8-57.3-175.1-170.90109.5N280 E281K278-N280 PolarHBondContact O-N 3.08Å; K278-E281 HydrophobicContact CB-CB 4.11Å; K278-E281 PolarHBondContact N-OE2 3.13Å; K278-E281 WeakPolarHBondContact O-CB 3.45Å; K278-E281 PolarHBondContact O-N 2.78Å
279P63.2Low62.7Low127 Ų127142.8 Ų142.883%0.82571%0.706SS**THydrogen-bonded Turntrans-50.6130.6172.2-27.335.5000110.1
280N60.7Low63.4Low142 Ų142137.5 Ų137.576%0.75971%0.705SS**THydrogen-bonded Turntrans80-6.5-172.2-149.241.3000117.3K278 G282 A283K278-N280 PolarHBondContact O-N 3.08Å; N280-G282 PolarHBondContact O-N 2.67Å; N280-A283 PolarHBondContact O-N 3.04Å; N280-A283 WeakPolarHBondContact OD1-CB 3.22Å
281E59.2Low64.1Low116 Ų116142.1 Ų142.154%0.54271%0.713SS.*THydrogen-bonded Turntrans-78.485.5176.6-170.2173.3-134.900111.1R277 K278R277-E281 HydrophobicContact CB-CB 4.35Å; K278-E281 HydrophobicContact CB-CB 4.11Å; K278-E281 PolarHBondContact N-OE2 3.13Å; K278-E281 WeakPolarHBondContact O-CB 3.45Å; K278-E281 PolarHBondContact O-N 2.78Å
282G60.1Low65Low63 Ų63139.6 Ų139.665%0.64971%0.71SS**THydrogen-bonded Turntrans139.4-0.9-171.600000114.6N280 D284N280-G282 PolarHBondContact O-N 2.67Å; G282-D284 PolarHBondContact O-N 3.13Å
283A57.3Low65.5Low65 Ų65141.2 Ų141.254%0.53772%0.715SS.*  trans-74.522.5175.400000114.1N280 S285N280-A283 PolarHBondContact O-N 3.04Å; N280-A283 WeakPolarHBondContact OD1-CB 3.22Å; A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3.45Å
284D56.5Low65.6Low130 Ų130140.9 Ų140.970%0.69571%0.713SS**  trans-79.274.4-168.6-78.4-47.4000113.8G282 Q286G282-D284 PolarHBondContact O-N 3.13Å; D284-Q286 PolarHBondContact O-N 2.92Å
285S61.7Low65.6Low59 Ų59141.8 Ų141.841%0.41372%0.716SS.*SBendtrans59.9-5.9152-58.10000119A283 W287 K288A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3.45Å; S285-W287 PolarHBondContact O-N 3.11Å; S285-K288 WeakPolarHBondContact O-CB 3.05Å; S285-K288 PolarHBondContact O-N 2.89Å; S285-K288 PolarHBondContact OG-NZ 3.16Å
286Q61Low65.3Low169 Ų169138.4 Ų138.479%0.7971%0.707SS**G310 helixtrans-59.2-31.1178.4-70.5-175.6-38.800112.4D284D284-Q286 PolarHBondContact O-N 2.92Å
287W61.2Low64.5Low245 Ų245141.5 Ų141.593%0.92872%0.715SS**G310 helixtrans-86.4-3.6178.8-57.9-7.4000114S285 K289 G290S285-W287 PolarHBondContact O-N 3.11Å; W287-K289 PolarHBondContact O-N 3.1Å; W287-G290 PolarHBondContact O-N 3.13Å
288K63.5Low63.2Low167 Ų167137 Ų13773%0.72672%0.715SS**G310 helixtrans-73.2-0.7175-66.2177.9-176.6160.80113.7S285S285-K288 WeakPolarHBondContact O-CB 3.05Å; S285-K288 PolarHBondContact O-N 2.89Å; S285-K288 PolarHBondContact OG-NZ 3.16Å
289K69.8Low62Low197 Ų197138.4 Ų138.486%0.85772%0.723SS**G310 helixtrans-102.524.9175.7-67.2-177176.9178.80113.3W287W287-K289 PolarHBondContact O-N 3.1Å
290G71.9Confident61.1Low63 Ų63139.8 Ų139.865%0.64972%0.724SS**  trans-77.1122.9167.300000111.4W287W287-G290 PolarHBondContact O-N 3.13Å
291Y68.9Low60.2Low197 Ų197144 Ų14477%0.77373%0.729SS**  trans-88.5123.7177.1-149.2-89.5000110.2L293Y291-L293 PolarHBondContact O-N 2.63Å
292V76.9Confident59.4Low105 Ų105143.6 Ų143.664%0.63674%0.736SS**  trans-74100.9-179.4-179.60000109.6H294V292-H294 VanDerWaalsContact C-N 3.31Å; V292-H294 PolarHBondContact O-N 3.11Å
293L74.6Confident58.3Low149 Ų149147.4 Ų147.478%0.7875%0.747SS**SBendtrans-71.2-23.3-172.1-167.760.5000113.7Y291Y291-L293 PolarHBondContact O-N 2.63Å
294H65.7Low57.7Low151 Ų151147.9 Ų147.970%0.69976%0.758SS**  trans-119102.1176.2-66.5-72.1000111.6V292 S296V292-H294 VanDerWaalsContact C-N 3.31Å; V292-H294 PolarHBondContact O-N 3.11Å; H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.09Å
295K61.9Low57.1Low170 Ų170146.2 Ų146.274%0.73976%0.763SS**  trans-81.765.5165.5-61.4165.9-173.2170.50108.8K297K295-K297 PolarHBondContact O-N 3.43Å
296S59.3Low56Low106 Ų106150.9 Ų150.974%0.74178%0.782SS**  trans-60.5122.2171.8500000108.6H294 S298H294-S296 PolarHBondContact O-N 3.2Å; H294-S296 VanDerWaalsContact O-N 3.09Å; S296-S298 PolarHBondContact O-N 2.67Å
297K53.4Low55Low197 Ų197151.4 Ų151.486%0.85779%0.788SS**  trans-29.8119.8-173.2-60.1171.4-177.8175.40113.3K295 E299K295-K297 PolarHBondContact O-N 3.43Å; K297-E299 PolarHBondContact O-N 3.09Å; K297-E299 VanDerWaalsContact O-N 3.15Å
298S44Very low53.8Low106 Ų106146.1 Ų146.174%0.74178%0.778SS**  trans-65.8106.9163.448.40000108.5S296 D300S296-S298 PolarHBondContact O-N 2.67Å; S298-D300 PolarHBondContact O-N 2.78Å
299E50.2Low52.5Low182 Ų182142.8 Ų142.885%0.8578%0.782SS**  trans-83.550.1-173.4-166.1143.9-137.900112.8K297 R301K297-E299 PolarHBondContact O-N 3.09Å; K297-E299 VanDerWaalsContact O-N 3.15Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.35Å; E299-R301 VanDerWaalsContact O-N 3.13Å
300D44.6Very low50.7Low157 Ų157138.3 Ų138.384%0.8478%0.775SS**  trans-7980.9163.1-82-52000109.2S298S298-D300 PolarHBondContact O-N 2.78Å
301R42.1Very low48.9Very low229 Ų229143.7 Ų143.786%0.86478%0.784SS**  trans-123.8100.1166.5-167.9172.9-173.5179.11.7110.9E299E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.35Å; E299-R301 VanDerWaalsContact O-N 3.13Å
302P42Very low47.2Very low108 Ų108141.4 Ų141.470%0.70179%0.791SS**  trans-82.6157.7-178.434.6-36.3000112.6
303V36.7Very low45.2Very low143 Ų143145.4 Ų145.487%0.86780%0.802SS**SBendtrans66.9127172.5-164.10000115.3
304G46.7Very low43.3Very low75 Ų75143 Ų14377%0.77380%0.804SS**  trans-77.9141.8179.100000113.3
305A42.3Very low41.9Very low96 Ų96144 Ų14479%0.79381%0.809SS**  trans-151.3152.6162.700000109.1
306L39.3Very low41.1Very low156 Ų156141.1 Ų141.182%0.81781%0.808SS**  trans63.658.8165.1-15168.5000116.8D308L306-D308 PolarHBondContact O-N 2.66Å
307I39.4Very low39.8Very low180 Ų180143.5 Ų143.592%0.92381%0.807SS**  trans-84.371.4145.9-53176.1000107.4
308D35.9Very low39Very low134 Ų134137.7 Ų137.772%0.71780%0.795SS**  trans-163112.2159.3-151.2-5.8000111.1L306L306-D308 PolarHBondContact O-N 2.66Å
309A36Very low38.6Very low98 Ų98139.3 Ų139.381%0.8180%0.795SS**  trans170.4113.1165.500000108.6
310S32.8Very low37.9Very low102 Ų102140.5 Ų140.571%0.71380%0.798SS**  trans-96.6158.9174.447.60000111.5
311E34.6Very low37.4Very low176 Ų176139.4 Ų139.482%0.82279%0.792SS**  trans47.4118.5160.1-62-178136.100119.9
312T31.9Very low37Very low150 Ų150137.9 Ų137.992%0.9279%0.792SS**  -173.3171.6116.120.80000112.2
313E35.1Very low36.6Very low189 Ų189142 Ų14288%0.88380%0.801SS**  trans-84.4154.6-168.7-47.9-178.1131.200114.4
314A35.5Very low36.4Very low98 Ų98139 Ų13981%0.8180%0.8SS**  171.5119.612400000113.3
315E36.8Very low36.3Very low172 Ų172140.7 Ų140.780%0.80481%0.806SS**  trans-83.6139.2143.7-94.9-90.3-174.700106.7H317E315-H317 PolarHBondContact OE2-N 3.04Å
316P44.6Very low36.1Very low110 Ų110140 Ų14071%0.71480%0.801SS**  -151.2154.484.438.8-21.4000116.2
317H32.6Very low36.3Very low155 Ų155138.9 Ų138.972%0.71880%0.796SS**  170.5145.394.3-160.5-85.2000111.8E315E315-H317 PolarHBondContact OE2-N 3.04Å
318A36.1Very low36.7Very low75 Ų75139.6 Ų139.662%0.6280%0.795SS**  trans-93.4-173.5-17800000113.8
319L35.2Very low37.4Very low141 Ų141138 Ų13874%0.73879%0.794SS**  trans85.9100.5164.7-53.1166.1000117.5
320F35.7Very low37.9Very low207 Ų207137.2 Ų137.291%0.90878%0.783SS**  -145.9116.9127-119.5-78.2000112.9
321N33.4Very low38.9Very low133 Ų133138.1 Ų138.171%0.71178%0.78SS**  trans-14.8118.8179.2-62.2-34.4000122.4
322K34.7Very low39.9Very low198 Ų198136.7 Ų136.786%0.86177%0.772SS**  -19.4125.4128.4169.2-167.3176.2-1770115.6
323Q33.3Very low41.2Very low194 Ų194136.8 Ų136.891%0.90776%0.762SS**  trans-171.4161.1138.3-106.1168.52500110.3
324G32.7Very low42.3Very low81 Ų81135.7 Ų135.784%0.83576%0.755SS**  trans101.774.3173.300000115.9
325A43.5Very low43.8Very low109 Ų109142.6 Ų142.690%0.90176%0.76SS**  trans-113.799.8160.900000108.1
326A38.8Very low45.5Very low83 Ų83140.4 Ų140.469%0.68675%0.748SS**  trans-156.2135176.600000110.2E328A326-E328 PolarHBondContact O-N 3.41Å
327D44.8Very low47Very low132 Ų132139.5 Ų139.571%0.70674%0.742SS**  trans43.366.2155.3-52-25.1000119.3S329D327-S329 PolarHBondContact O-N 2.81Å
328E46.9Very low48.8Very low195 Ų195137.3 Ų137.391%0.91175%0.75SS**  trans-79.312.5151.2-77.8-160.5139.700113.3A326 S330A326-E328 PolarHBondContact O-N 3.41Å; E328-S330 PolarHBondContact O-N 2.77Å
329S50.3Low50.8Low100 Ų100140.5 Ų140.570%0.69976%0.757SS**SBendtrans-72.354.8148.759.80000109.5D327 D331D327-S329 PolarHBondContact O-N 2.81Å; S329-D331 PolarHBondContact O-N 2.78Å
330S47.5Very low53Low81 Ų81135.5 Ų135.557%0.56673%0.731SS**  trans-74.675.3-168-172.10000111E328 H332E328-S330 PolarHBondContact O-N 2.77Å; S330-H332 VanDerWaalsContact C-N 3.3Å; S330-H332 PolarHBondContact O-N 2.61Å; S330-H332 PolarHBondContact O-ND1 3.28Å
331D52.8Low55.1Low122 Ų122130.2 Ų130.265%0.65271%0.712SS**  trans2362.3167-140.1-13.2000114.6S329 H333S329-D331 PolarHBondContact O-N 2.78Å; D331-H333 PolarHBondContact O-N 3.07Å; D331-H333 PolarHBondContact O-ND1 3.47Å; D331-H333 IonicContact OD1-CE1 3.9Å; D331-H333 PolarHBondContact OD1-CE1 2.8Å; D331-H333 IonicContact OD1-ND1 2.78Å; D331-H333 PolarHBondContact OD1-ND1 3.18Å; D331-H333 IonicContact OD2-CE1 2.74Å; D331-H333 PolarHBondContact OD2-CE1 2.99Å; D331-H333 VanDerWaalsContact OD2-CE1 3.23Å; D331-H333 IonicContact OD2-ND1 3.35Å
332H54.8Low57.2Low145 Ų145128.7 Ų128.767%0.67171%0.707SS**  trans-67.784.8175.6-78.820.1000108.7S330 F334S330-H332 VanDerWaalsContact C-N 3.3Å; S330-H332 PolarHBondContact O-N 2.61Å; S330-H332 PolarHBondContact O-ND1 3.28Å; H332-F334 HydrophobicContact CB-CD2 3.83Å; H332-F334 HydrophobicContact CB-CE2 3.89Å; H332-F334 AromaticContact CD2-CE2 3.75Å; H332-F334 PolarHBondContact O-N 3.34Å
333H59.1Low58.9Low152 Ų152123.4 Ų123.470%0.70470%0.695SS**  trans-65.645.2172.6-77.774.5000111.9D331 R335D331-H333 PolarHBondContact O-N 3.07Å; D331-H333 PolarHBondContact O-ND1 3.47Å; D331-H333 IonicContact OD1-CE1 3.9Å; D331-H333 PolarHBondContact OD1-CE1 2.8Å; D331-H333 IonicContact OD1-ND1 2.78Å; D331-H333 PolarHBondContact OD1-ND1 3.18Å; D331-H333 IonicContact OD2-CE1 2.74Å; D331-H333 PolarHBondContact OD2-CE1 2.99Å; D331-H333 VanDerWaalsContact OD2-CE1 3.23Å; D331-H333 IonicContact OD2-ND1 3.35Å; H333-R335 PolarHBondContact O-N 2.81Å
334F58.2Low60.9Low167 Ų167121.9 Ų121.973%0.73269%0.688SS**  trans-53.5109.7155.5-68.9-59.6000106.9H332 K336H332-F334 HydrophobicContact CB-CD2 3.83Å; H332-F334 HydrophobicContact CB-CE2 3.89Å; H332-F334 AromaticContact CD2-CE2 3.75Å; H332-F334 PolarHBondContact O-N 3.34Å; F334-K336 PolarHBondContact O-N 3.3Å
335R68.5Low63.1Low243 Ų243122.5 Ų122.592%0.91767%0.672SS**  trans-61.690.1162.8-68.3175.6178-96.1-1.1106.3H333H333-R335 PolarHBondContact O-N 2.81Å
336K71.7Confident64.9Low125 Ų125124.9 Ų124.954%0.54366%0.664SS.*  trans-47.1128170.7-74.6179.7163.8-109.10106.8F334 A338 D340 S343F334-K336 PolarHBondContact O-N 3.3Å; K336-A338 PolarHBondContact O-N 3.1Å; K336-D340 HydrophobicContact CB-CB 4.15Å; K336-D340 WeakPolarHBondContact CD-OD2 3.48Å; K336-D340 WeakPolarHBondContact CE-OD2 3.46Å; K336-D340 WeakPolarHBondContact CG-OD2 3.13Å; K336-D340 IonicContact NZ-OD2 3.24Å; K336-D340 PolarHBondContact NZ-OD2 3.17Å; K336-S343 PolarHBondContact NZ-OG 3.25Å; K336-S343 VanDerWaalsContact NZ-OG 3.12Å
337P76.4Confident66.7Low92 Ų92125.9 Ų125.960%0.59766%0.657SS**  trans-56.3145.5171.825.6-32.8000107.9N339 D340P337-N339 PolarHBondContact O-N 3.2Å; P337-D340 HydrophobicContact CG-CB 4.11Å; P337-D340 WeakPolarHBondContact O-CB 3.49Å; P337-D340 PolarHBondContact O-N 3.12Å
338A69.9Low68.3Low108 Ų108124.3 Ų124.389%0.89365%0.649SS**THydrogen-bonded Turntrans-58.2-13.9-177.400000113.6K336K336-A338 PolarHBondContact O-N 3.1Å
339N77.7Confident69.3Low142 Ų142123.3 Ų123.376%0.75964%0.641SS**THydrogen-bonded Turntrans-106.924.5179.4-52.5-9.6000112.4P337 I341P337-N339 PolarHBondContact O-N 3.2Å; N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.83Å
340D81.9Confident70Confident37 Ų37122.1 Ų122.120%0.19865%0.645CS.*  trans-72.177.7177.5-177.720.1000112.4K336 P337 T342K336-D340 HydrophobicContact CB-CB 4.15Å; K336-D340 WeakPolarHBondContact CD-OD2 3.48Å; K336-D340 WeakPolarHBondContact CE-OD2 3.46Å; K336-D340 WeakPolarHBondContact CG-OD2 3.13Å; K336-D340 IonicContact NZ-OD2 3.24Å; K336-D340 PolarHBondContact NZ-OD2 3.17Å; P337-D340 HydrophobicContact CG-CB 4.11Å; P337-D340 WeakPolarHBondContact O-CB 3.49Å; P337-D340 PolarHBondContact O-N 3.12Å; D340-T342 PolarHBondContact O-N 3.26Å; D340-T342 WeakPolarHBondContact OD1-CB 3.37Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D340-T342 PolarHBondContact OD1-N 3.47Å; D340-T342 PolarHBondContact OD1-OG1 2.93Å
341I79.9Confident70.5Confident96 Ų96125.4 Ų125.449%0.49266%0.656SS.*G310 helixtrans-69.4-6.2175.163.6171.4000113.3N339 S343 Q344 L345N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.83Å; I341-S343 PolarHBondContact O-N 3.32Å; I341-Q344 WeakPolarHBondContact O-CA 3.48Å; I341-Q344 WeakPolarHBondContact O-CB 3.27Å; I341-Q344 PolarHBondContact O-N 2.66Å; I341-L345 HydrophobicContact CD1-CD1 4.2Å; I341-L345 HydrophobicContact CG1-CD1 4.18Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.12Å
342T76.7Confident70.8Confident101 Ų101126.6 Ų126.662%0.6266%0.662SS**G310 helixtrans-64.1-30.7-175.769.30000112.5D340 Q344D340-T342 PolarHBondContact O-N 3.26Å; D340-T342 WeakPolarHBondContact OD1-CB 3.37Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D340-T342 PolarHBondContact OD1-N 3.47Å; D340-T342 PolarHBondContact OD1-OG1 2.93Å; T342-Q344 VanDerWaalsContact C-N 3.32Å
343S72.1Confident70.9Confident87 Ų87122.8 Ų122.861%0.60866%0.661SS**G310 helixtrans-81.5-1.1171.639.60000115.1K336 I341K336-S343 PolarHBondContact NZ-OG 3.25Å; K336-S343 VanDerWaalsContact NZ-OG 3.12Å; I341-S343 PolarHBondContact O-N 3.32Å
344Q74.9Confident70.9Confident161 Ų161126.3 Ų126.375%0.75267%0.668SS**THydrogen-bonded Turntrans-103.9-10.8172.5-63.1178.2-9.600112.4I341 T342I341-Q344 WeakPolarHBondContact O-CA 3.48Å; I341-Q344 WeakPolarHBondContact O-CB 3.27Å; I341-Q344 PolarHBondContact O-N 2.66Å; T342-Q344 VanDerWaalsContact C-N 3.32Å
345L79Confident70.6Confident95 Ų95124.4 Ų124.450%0.49767%0.673SS.*  trans-93.497.6-179.5-69.6168.3000110.7I341 I347I341-L345 HydrophobicContact CD1-CD1 4.2Å; I341-L345 HydrophobicContact CG1-CD1 4.18Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.12Å; L345-I347 VanDerWaalsContact C-N 3.28Å; L345-I347 HydrophobicContact CB-CD1 4.38Å; L345-I347 HydrophobicContact CB-CG1 3.97Å; L345-I347 PolarHBondContact O-N 2.97Å
346E80.2Confident69.8Low159 Ų159116.2 Ų116.274%0.74366%0.664SS**  trans-75.379.4169.7-164.2-170.3139.400110.4N348E346-N348 PolarHBondContact O-N 3.45Å; E346-N348 PolarHBondContact OE1-ND2 3.47Å
347I77.3Confident68.9Low104 Ų104121.8 Ų121.853%0.53368%0.682SS.*  trans-75.990.2-176.9-49.3-179.7000110.2L345 F349L345-I347 VanDerWaalsContact C-N 3.28Å; L345-I347 HydrophobicContact CB-CD1 4.38Å; L345-I347 HydrophobicContact CB-CG1 3.97Å; L345-I347 PolarHBondContact O-N 2.97Å; I347-F349 VanDerWaalsContact C-N 3.3Å; I347-F349 HydrophobicContact CB-CD2 4.3Å; I347-F349 HydrophobicContact CB-CE2 3.81Å; I347-F349 HydrophobicContact CB-CZ 4.14Å; I347-F349 HydrophobicContact CG2-CD1 4.19Å; I347-F349 HydrophobicContact CG2-CD2 3.95Å; I347-F349 HydrophobicContact CG2-CE1 3.79Å; I347-F349 HydrophobicContact CG2-CE2 3.52Å; I347-F349 HydrophobicContact CG2-CG 4.27Å; I347-F349 HydrophobicContact CG2-CZ 3.43Å; I347-F349 VanDerWaalsContact CG2-CZ 3.43Å; I347-F349 WeakPolarHBondContact O-CD2 3.29Å; I347-F349 PolarHBondContact O-N 3.33Å
348N78Confident67.6Low99 Ų99120.6 Ų120.653%0.52969%0.686SS.*  trans-72.476.3178.4-89.3-63.4000113E346 G350 D351E346-N348 PolarHBondContact O-N 3.45Å; E346-N348 PolarHBondContact OE1-ND2 3.47Å; N348-G350 PolarHBondContact O-N 2.73Å; N348-D351 PolarHBondContact O-N 3.4Å
349F67.8Low67Low173 Ų173127.8 Ų127.876%0.75969%0.69SS**THydrogen-bonded Turntrans-61.1-4.3172.1-64.6-75.3000114.6I347I347-F349 VanDerWaalsContact C-N 3.3Å; I347-F349 HydrophobicContact CB-CD2 4.3Å; I347-F349 HydrophobicContact CB-CE2 3.81Å; I347-F349 HydrophobicContact CB-CZ 4.14Å; I347-F349 HydrophobicContact CG2-CD1 4.19Å; I347-F349 HydrophobicContact CG2-CD2 3.95Å; I347-F349 HydrophobicContact CG2-CE1 3.79Å; I347-F349 HydrophobicContact CG2-CE2 3.52Å; I347-F349 HydrophobicContact CG2-CG 4.27Å; I347-F349 HydrophobicContact CG2-CZ 3.43Å; I347-F349 VanDerWaalsContact CG2-CZ 3.43Å; I347-F349 WeakPolarHBondContact O-CD2 3.29Å; I347-F349 PolarHBondContact O-N 3.33Å
350G65.4Low65.5Low75 Ų75124.8 Ų124.877%0.77369%0.693SS**THydrogen-bonded Turntrans-81.4-31.7179.100000114.9N348N348-G350 PolarHBondContact O-N 2.73Å
351D58.2Low63.8Low151 Ų151126.2 Ų126.281%0.80772%0.716SS**THydrogen-bonded Turntrans-1161.4-164.5-137.916.7000114.6N348 G353N348-D351 PolarHBondContact O-N 3.4Å; D351-G353 PolarHBondContact O-N 3.05Å
352L59.9Low62.5Low147 Ų147126.9 Ų126.977%0.7774%0.736SS**SBendtrans-70.379156.5-69.8-179.1000108.8R354L352-R354 PolarHBondContact O-N 3.48Å
353G56.7Low61.4Low64 Ų64134.2 Ų134.266%0.6675%0.752SS**  trans-46.5110.7-174.700000111.8D351 P355D351-G353 PolarHBondContact O-N 3.05Å; G353-P355 WeakPolarHBondContact O-CD 3.38Å
354R58.2Low60.5Low226 Ų226133.9 Ų133.985%0.85376%0.763SS**  trans-42.9112.4-171.9-87176.2158.9-108.90.1111.3L352 G356L352-R354 PolarHBondContact O-N 3.48Å; R354-G356 PolarHBondContact O-N 3.19Å
355P52.6Low59.1Low127 Ų127129.8 Ų129.883%0.82576%0.764SS**  trans-58.5120.4170.724-32.4000107.3G353 R357G353-P355 WeakPolarHBondContact O-CD 3.38Å; P355-R357 PolarHBondContact O-N 3.09Å
356G50.7Low57.8Low71 Ų71137.9 Ų137.973%0.73279%0.788SS**  trans-62.2112.5-160.200000112.1R354 G358R354-G356 PolarHBondContact O-N 3.19Å; G356-G358 VanDerWaalsContact C-N 3.31Å; G356-G358 PolarHBondContact O-N 2.86Å
357R52.5Low56.1Low242 Ų242134 Ų13491%0.91379%0.791SS**  trans-57.5103.9155.7-98.7-161.7178.8-136.42.5106.4P355P355-R357 PolarHBondContact O-N 3.09Å
358G50.7Low54.6Low67 Ų67133 Ų13369%0.69181%0.806SS**SBendtrans-60.9162.5-166.900000113.5G356G356-G358 VanDerWaalsContact C-N 3.31Å; G356-G358 PolarHBondContact O-N 2.86Å
359R56Low53.1Low260 Ų260140.7 Ų140.798%0.98183%0.827SS**  trans77.424165.3-136.3177.9-163.8-165.24.8117.7
360G47.3Very low51.7Low79 Ų79136.4 Ų136.481%0.81483%0.832SS**  trans-96.968.8159.500000112
361G44.9Very low50.5Low67 Ų67136.6 Ų136.669%0.69183%0.834SS**  trans-69.8147.2-168.500000115.3R363G361-R363 PolarHBondContact O-N 3.21Å
362A53.3Low49.7Very low110 Ų110133.7 Ų133.791%0.90984%0.84SS**  trans-64.298.7178.700000112.5
363R53.1Low48.6Very low254 Ų254130.6 Ų130.696%0.95884%0.844SS**  trans-12763166.6-73.4-167.5172.5117.4-0.9110.5G361G361-R363 PolarHBondContact O-N 3.21Å
364G53.1Low48Very low81 Ų81132.4 Ų132.484%0.83585%0.846SS**  trans-147.230.6-178.300000113.5
365G47Very low47.4Very low75 Ų75132.7 Ų132.777%0.77385%0.847SS**  trans-139.485.1-17700000111.7
366R50.2Low46.6Very low264 Ų264133.3 Ų133.3100%0.99685%0.849SS**  trans-100.872.1-178.2-165.1-172.4-164.4-172.75.8110.8
367G45Very low46.3Very low79 Ų79134.9 Ų134.981%0.81486%0.855SS**  trans-175.8125.2176.400000111.8
368G47.1Very low45.7Very low81 Ų81135 Ų13584%0.83586%0.856SS**  trans147.676.6-175.600000112.7
369R45.8Very low45.2Very low261 Ų261135.9 Ų135.999%0.98586%0.864SS**  trans-98144164.5-78.2-179.1173169.4-3.6108.6
370G38.9Very low44.2Very low84 Ų84126.9 Ų126.987%0.86685%0.852SS**  trans103.7133-179.300000111.8
371G40.1Very low44.2Very low78 Ų78127.3 Ų127.380%0.80486%0.856SS**  cis-156.8164.3-4.600000111
372G40.2Very low43.9Very low91 Ų91135.5 Ų135.594%0.93887%0.867SS**  trans-73.6142.518000000112.6
373G36.8Very low43.3Very low82 Ų82135.1 Ų135.185%0.84586%0.857SS**  trans-149.9111.1174.600000110.6
374S43.8Very low42.8Very low101 Ų101132.4 Ų132.471%0.70686%0.855SS**  trans-92.8133.8-176.7-173.30000111.6
375R45.6Very low42.3Very low232 Ų232137.1 Ų137.188%0.87585%0.853SS**  trans32111.2151.1-56.7172.4-171.7164.11.4118.1
376T36.1Very low42.3Very low140 Ų140138.3 Ų138.386%0.85986%0.855SS**  trans-137.6120.8135.153.10000110.2
377A45.7Very low42.4Very low104 Ų104131.6 Ų131.686%0.8685%0.849SS**  trans-83.9132.1163.300000109.1
378R38.3Very low42.4Very low246 Ų246130.3 Ų130.393%0.92884%0.836SS**  trans-151.1136.2159.5-111.9176.4179.1126.51.8108.4
379G40.2Very low43Very low85 Ų85133.5 Ų133.588%0.87684%0.839SS**  trans-69.6153.6-17600000112.7
380G35.2Very low43.9Very low70 Ų70125.9 Ų125.972%0.72283%0.826SS**  trans-172.575.2178.700000109.7R382G380-R382 PolarHBondContact O-N 3.4Å
381G48Very low45.7Very low88 Ų88127.9 Ų127.991%0.90782%0.821SS**  trans-57.7125.9179.600000110.9
382R39.1Very low47.6Very low240 Ų240126.3 Ų126.391%0.90680%0.796SS**  trans-125129.4167.8-81.6-174.6165.6179.1-4.4108G380G380-R382 PolarHBondContact O-N 3.4Å
383S41Very low49.6Very low101 Ų101126 Ų12671%0.70677%0.773SS**  trans-46.4134.8-17551.40000113K385S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 3.18Å
384E41.2Very low51.7Low197 Ų197127.7 Ų127.792%0.92177%0.767SS**  trans-61.692.8156.3-64.9-177.4145.800108.1A386E384-A386 PolarHBondContact O-N 2.71Å
385K42.4Very low53.7Low181 Ų181130 Ų13079%0.78777%0.771SS**  trans-65.9117.5156.1-81.7-164170.6-166.80105.8S383 S387S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 3.18Å; K385-S387 PolarHBondContact O-N 3.02Å
386A47.7Very low55.6Low100 Ų100122 Ų12283%0.82675%0.746SS**  trans-66.872.2173.100000110.5E384 G388E384-A386 PolarHBondContact O-N 2.71Å; A386-G388 PolarHBondContact O-N 2.87Å
387S51.5Low57.6Low122 Ų122120.8 Ų120.885%0.85374%0.74SS**  trans-84.155.6179.665.20000110.8K385K385-S387 PolarHBondContact O-N 3.02Å
388G46.9Very low59.3Low53 Ų53124.6 Ų124.655%0.54674%0.74SS.*SBendtrans-166.2120.7175.600000106.8A386 S390A386-G388 PolarHBondContact O-N 2.87Å; G388-S390 PolarHBondContact O-N 3.01Å
389V59.5Low61.5Low148 Ų148114.6 Ų114.690%0.89771%0.71SS**  trans-65.3107.1174.1177.90000106.7V391V389-V391 PolarHBondContact O-N 3.24Å
390S63.8Low63.5Low101 Ų101115.5 Ų115.571%0.70669%0.69SS**PPolyproline II helixtrans-58.4128169.345.90000108.1G388G388-S390 PolarHBondContact O-N 3.01Å
391V77.4Confident65.8Low126 Ų126117.8 Ų117.876%0.76469%0.692SS**PPolyproline II helixtrans-55.6130.8172.7-177.40000107.7V389 N393V389-V391 PolarHBondContact O-N 3.24Å; V391-N393 PolarHBondContact O-N 3.01Å
392P80Confident67.3Low45 Ų45118 Ų11829%0.29269%0.685SS.*PPolyproline II helixtrans-46.5134.6172.4-3338.5000111.4V394 A399 F400P392-V394 PolarHBondContact O-N 3.25Å; P392-A399 HydrophobicContact CB-CB 4.31Å; P392-A399 WeakPolarHBondContact CB-O 3.13Å; P392-F400 HydrophobicContact CB-CD1 3.99Å; P392-F400 HydrophobicContact CB-CD2 4.38Å; P392-F400 HydrophobicContact CB-CE1 3.86Å; P392-F400 HydrophobicContact CB-CE2 4.26Å; P392-F400 HydrophobicContact CB-CG 4.25Å; P392-F400 HydrophobicContact CB-CZ 4Å; P392-F400 HydrophobicContact CG-CD1 4.46Å
393N81.4Confident68.8Low85 Ų85115.2 Ų115.246%0.45569%0.688SS.*PPolyproline II helixtrans-68.6123.4178.7-178.832.5000109V391 D395 D396 A399 F400V391-N393 PolarHBondContact O-N 3.01Å; N393-D395 PolarHBondContact O-N 2.86Å; N393-D396 HydrophobicContact CB-CB 3.99Å; N393-D396 PolarHBondContact O-N 3.15Å; N393-D396 VanDerWaalsContact O-N 3.15Å; N393-A399 HydrophobicContact CB-CB 4.23Å; N393-F400 WeakPolarHBondContact O-CE2 3.39Å
394V81.4Confident69.6Low117 Ų117118.7 Ų118.771%0.70972%0.723SS**THydrogen-bonded Turntrans-66.7-28.5-173.9-178.70000111.7P392 D396P392-V394 PolarHBondContact O-N 3.25Å; V394-D396 VanDerWaalsContact C-N 3.32Å
395D85.6Confident71Confident148 Ų148114.8 Ų114.879%0.79171%0.713SS**THydrogen-bonded Turntrans-86.63.5179.4-55.1-48.5000113.6N393N393-D395 PolarHBondContact O-N 2.86Å
396D85.3Confident72.5Confident66 Ų66111.3 Ų111.335%0.35371%0.709SS.*  trans-126.6107.8-177.5-174.4-13.2000111N393 V394 E398 A399N393-D396 HydrophobicContact CB-CB 3.99Å; N393-D396 PolarHBondContact O-N 3.15Å; N393-D396 VanDerWaalsContact O-N 3.15Å; V394-D396 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 3.33Å; D396-E398 PolarHBondContact OD1-N 2.89Å; D396-A399 HydrophobicContact CB-CB 4.02Å; D396-A399 WeakPolarHBondContact O-CB 3.2Å; D396-A399 PolarHBondContact O-N 2.98Å
397P77.6Confident73.9Confident114 Ų114111.9 Ų111.974%0.7470%0.703SS**G310 helixtrans-68.5-21.1-177.429.3-34.9000113.4A399P397-A399 VanDerWaalsContact C-N 3.34Å
398E81.4Confident75.2Confident183 Ų183111.4 Ų111.486%0.85569%0.694SS**G310 helixtrans-82.3-13.9177-62.4-170.2177.700112.4D396 F400D396-E398 PolarHBondContact O-N 3.33Å; D396-E398 PolarHBondContact OD1-N 2.89Å; E398-F400 PolarHBondContact O-N 3.13Å
399A84Confident77Confident37 Ų37115 Ų11531%0.30670%0.703SS.*G310 helixtrans-72.7-15.3174.100000113.3P392 N393 D396 P397P392-A399 HydrophobicContact CB-CB 4.31Å; P392-A399 WeakPolarHBondContact CB-O 3.13Å; N393-A399 HydrophobicContact CB-CB 4.23Å; D396-A399 HydrophobicContact CB-CB 4.02Å; D396-A399 WeakPolarHBondContact O-CB 3.2Å; D396-A399 PolarHBondContact O-N 2.98Å; P397-A399 VanDerWaalsContact C-N 3.34Å
400F84Confident78.2Confident103 Ų103112.8 Ų112.845%0.45269%0.69SS.*SBendtrans-90.2136.1174.7-68.5-90.7000110.7P392 N393 E398 A402P392-F400 HydrophobicContact CB-CD1 3.99Å; P392-F400 HydrophobicContact CB-CD2 4.38Å; P392-F400 HydrophobicContact CB-CE1 3.86Å; P392-F400 HydrophobicContact CB-CE2 4.26Å; P392-F400 HydrophobicContact CB-CG 4.25Å; P392-F400 HydrophobicContact CB-CZ 4Å; P392-F400 HydrophobicContact CG-CD1 4.46Å; N393-F400 WeakPolarHBondContact O-CE2 3.39Å; E398-F400 PolarHBondContact O-N 3.13Å; F400-A402 PolarHBondContact O-N 3.34Å
401P82.1Confident79.2Confident118 Ų118113.6 Ų113.677%0.76669%0.689SS**  trans-69.2103.2178.528.4-33.8000110.5
402A80.9Confident79.3Confident92 Ų92112.7 Ų112.776%0.7668%0.683SS**  trans-63.6145.6172.700000111.2F400F400-A402 PolarHBondContact O-N 3.34Å
403L69.2Low79.3Confident182 Ų182118.3 Ų118.395%0.95372%0.716SS**  trans-81.2138169.1-63.3174000109.1
404A58.1Low79.1Confident175 Ų175121.4 Ų121.4100%1.44674%0.739SS**  trans-136.40-178.400000110.4

Retrieved 404 of 404 residues in 294.9 ms (Link to these results)