A0A087XUR9_POEFO Loading...

Sterol carrier protein 2

Mediates the transfer of all common phospholipids, cholesterol and gangliosides from the endoplasmic reticulum to the plasma membrane. May play a role in regulating steroidogenesis. Stimulates the microsomal conversion of 7-dehydrocholesterol to cholesterol. Also binds fatty acids and fatty acyl Coenzyme A (CoA) such as phytanoyl-CoA. Involved in the regulation phospholipid synthesis in endoplasmic reticulum enhancing the incorporation of exogenous fatty acid into glycerides. Seems to stimulate the rate-limiting step in phosphatidic acid formation mediated by GPAT3. Isoforms SCP2 and SCPx cooperate in peroxisomal oxidation of certain naturally occurring tetramethyl-branched fatty acyl-CoAs. Plays a crucial role in the peroxisomal oxidation of branched-chain fatty acids. Catalyzes the last step of the peroxisomal beta-oxidation of branched chain fatty acids and the side chain of the bile acid intermediates di- and trihydroxycoprostanic acids (DHCA and THCA). Also active with medium and long straight chain 3-oxoacyl-CoAs. Stimulates the microsomal conversion of 7-dehydrocholesterol to cholesterol and transfers phosphatidylcholine and 7-dehydrocholesterol between membrances, in vitro. Isoforms SCP2 and SCPx cooperate in peroxisomal oxidation of certain naturally occurring tetramethyl-branched fatty acyl-CoAs.

AlphaFold DB , UniProt , Accession A0A087XUR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 543 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
1A35.7Very low61.7Low148 Ų148115.6 Ų115.6100%1.22368%0.679SS**  0107.2000000108.1M3A1-M3 PolarHBondContact O-N 3.47Å
2T32.8Very low64.8Low147 Ų147106 Ų10690%0.90262%0.623SS**  trans-71105.2176.637.60000108.6A4T2-A4 PolarHBondContact O-N 3.21Å
3M33.9Very low67.4Low185 Ų18598 Ų9891%0.91158%0.576SS**  trans-62.9131.8176.4-69.4-151-9000109.7A1A1-M3 PolarHBondContact O-N 3.47Å
4A38.1Very low69.7Low78 Ų7891 Ų9165%0.64554%0.535SS*.  trans-50.9156.5164.100000109.7T2 G6T2-A4 PolarHBondContact O-N 3.21Å; A4-G6 PolarHBondContact O-N 2.66Å
5P42.4Very low71.6Confident140 Ų14084.9 Ų84.991%0.90950%0.499SS*.SBendtrans-6292.6174.716.9-16.4000108.4
6G51.8Low73.3Confident57 Ų5779.9 Ų79.959%0.58847%0.47SS*.PPolyproline II helixtrans-75.3135.4-16700000109.8A4 K8A4-G6 PolarHBondContact O-N 2.66Å; G6-K8 PolarHBondContact O-N 3.08Å; G6-K8 VanDerWaalsContact O-N 3.08Å
7K69.1Low74.8Confident199 Ų19975.4 Ų75.487%0.86544%0.443SS*.PPolyproline II helixtrans-50.3116.6167.6-168.6176.9-178.2-177.30108.1
8K82.9Confident76.2Confident162 Ų16271.4 Ų71.470%0.70442%0.42SS*.PPolyproline II helixtrans-57138.1178.3-76.4160159-173.60109.5G6 R10 Q106G6-K8 PolarHBondContact O-N 3.08Å; G6-K8 VanDerWaalsContact O-N 3.08Å; K8-R10 PolarHBondContact O-N 3.15Å; K8-Q106 HydrophobicContact CB-CG 4.11Å; K8-Q106 HydrophobicContact CG-CG 4.43Å
9N94.9Very high77.4Confident81 Ų8167.7 Ų67.743%0.43340%0.398SS..PPolyproline II helixtrans-63.8135175.7-68.1-28.7000109.9
10R98.3Very high78.4Confident71 Ų7168.2 Ų68.227%0.26840%0.395SS..PPolyproline II helixtrans-69.4145.7172.3-66.1171.666.2-151.57.1109.5K8 F12 E236 E250 G403K8-R10 PolarHBondContact O-N 3.15Å; R10-F12 HydrophobicContact CB-CE2 3.73Å; R10-F12 HydrophobicContact CB-CZ 3.67Å; R10-F12 VanDerWaalsContact CZ-CZ 3.48Å; R10-E236 WeakPolarHBondContact CD-OE2 3.28Å; R10-E236 IonicContact CZ-OE2 3.83Å; R10-E236 IonicContact NE-OE2 3.96Å; R10-E236 VanDerWaalsContact NH1-CD 3.3Å; R10-E236 IonicContact NH1-OE1 3.85Å; R10-E236 PolarHBondContact NH1-OE1 3.4Å; R10-E236 IonicContact NH1-OE2 3.15Å; R10-E236 PolarHBondContact NH1-OE2 2.87Å; R10-E250 WeakPolarHBondContact CG-OE1 3.49Å; R10-E250 IonicContact CZ-OE1 3.69Å; R10-E250 IonicContact CZ-OE2 3.47Å; R10-E250 VanDerWaalsContact NE-CD 3.35Å; R10-E250 IonicContact NE-OE1 2.79Å; R10-E250 PolarHBondContact NE-OE1 2.88Å; R10-E250 IonicContact NE-OE2 3.36Å; R10-E250 PolarHBondContact NE-OE2 3.28Å; R10-E250 IonicContact NH2-OE1 3.01Å; R10-E250 IonicContact NH2-OE2 3.33Å; R10-E250 PolarHBondContact NH2-OE2 2.95Å; R10-G403 PolarHBondContact NH2-O 2.91Å
11V98.9Very high79.4Confident4 Ų465 Ų652%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-127.1131.1-176.6-173.40000109.6R102 I105 Q106 L233 E250 I251V11-R102 HydrophobicContact CB-CG 4.09Å; V11-R102 HydrophobicContact CG1-CB 4.42Å; V11-R102 HydrophobicContact CG1-CG 4.01Å; V11-R102 HydrophobicContact CG2-CG 4.06Å; V11-I105 HydrophobicContact CB-CB 4.45Å; V11-I105 HydrophobicContact CB-CG2 4.27Å; V11-I105 HydrophobicContact CG1-CB 3.88Å; V11-I105 HydrophobicContact CG1-CG1 4.14Å; V11-I105 HydrophobicContact CG1-CG2 4Å; V11-I105 HydrophobicContact CG2-CB 3.86Å; V11-I105 HydrophobicContact CG2-CG2 3.8Å; V11-Q106 HydrophobicContact CG2-CB 3.8Å; V11-L233 HydrophobicContact CG1-CB 4.36Å; V11-L233 HydrophobicContact CG1-CD2 3.96Å; V11-E250 WeakPolarHBondContact O-CA 3.34Å; V11-I251 PolarHBondContact O-N 3.31Å
12F98.9Very high82.3Confident0 Ų059.3 Ų59.30%033%0.326CS..EExtended strand (participates in β ladder)trans-122136.1-177.6-50.9-90000110.5R10 I14 L233 A234 E236 V239 A248 V249 E250 F404R10-F12 HydrophobicContact CB-CE2 3.73Å; R10-F12 HydrophobicContact CB-CZ 3.67Å; R10-F12 VanDerWaalsContact CZ-CZ 3.48Å; F12-I14 HydrophobicContact CB-CG2 4.12Å; F12-L233 CarbonylContact O-C 3.5Å; F12-L233 VanDerWaalsContact O-CA 3.24Å; F12-L233 WeakPolarHBondContact O-CA 3.49Å; F12-A234 PolarHBondContact N-O 2.9Å; F12-A234 PolarHBondContact O-N 3.32Å; F12-E236 HydrophobicContact CE2-CB 3.69Å; F12-E236 HydrophobicContact CE2-CG 4.32Å; F12-E236 HydrophobicContact CZ-CB 4.27Å; F12-V239 HydrophobicContact CB-CG2 4.05Å; F12-V239 HydrophobicContact CD2-CG2 3.82Å; F12-V239 HydrophobicContact CG-CG2 4.02Å; F12-A248 HydrophobicContact CB-CB 3.95Å; F12-A248 HydrophobicContact CD1-CB 3.95Å; F12-A248 HydrophobicContact CG-CB 4.1Å; F12-V249 CarbonylContact C-O 3.58Å; F12-V249 VanDerWaalsContact CA-O 3.27Å; F12-V249 WeakPolarHBondContact CA-O 3.49Å; F12-E250 HydrophobicContact CD1-CB 3.75Å; F12-E250 HydrophobicContact CD1-CG 4.26Å; F12-E250 HydrophobicContact CE1-CB 3.78Å; F12-E250 HydrophobicContact CE1-CG 4Å; F12-F404 AromaticContact CD1-CE2 3.99Å; F12-F404 HydrophobicContact CD1-CE2 3.99Å; F12-F404 HydrophobicContact CE1-CD2 4.42Å; F12-F404 AromaticContact CE1-CE2 3.57Å; F12-F404 HydrophobicContact CE1-CE2 3.57Å; F12-F404 AromaticContact CE1-CZ 3.87Å; F12-F404 HydrophobicContact CE1-CZ 3.87Å; F12-F404 HydrophobicContact CE2-CZ 4.4Å; F12-F404 AromaticContact CZ-CE2 3.86Å; F12-F404 HydrophobicContact CZ-CE2 3.86Å; F12-F404 AromaticContact CZ-CZ 3.72Å; F12-F404 HydrophobicContact CZ-CZ 3.72Å
13V98.9Very high85.3Confident2 Ų257.5 Ų57.51%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-79.6116.5159.4-175.60000107.1V16 A231 V232 L233 V249 I251 Y400V13-V16 HydrophobicContact CG1-CG1 3.51Å; V13-A231 HydrophobicContact CG1-CB 4.19Å; V13-V232 WeakPolarHBondContact CA-O 3.25Å; V13-L233 HydrophobicContact CG2-CG 4.35Å; V13-V249 HydrophobicContact CB-CB 4.49Å; V13-V249 PolarHBondContact N-O 2.92Å; V13-V249 PolarHBondContact O-N 2.96Å; V13-I251 HydrophobicContact CG2-CD1 4.02Å; V13-I251 HydrophobicContact CG2-CG1 4.17Å; V13-Y400 HydrophobicContact CG2-CE1 4.38Å
14I98.9Very high88.3Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-105.9-15-17756.7162.6000113.1F12 A47 I49 V232 A234 F238 V239 L244 Q247 A248F12-I14 HydrophobicContact CB-CG2 4.12Å; I14-A47 HydrophobicContact CD1-CB 4.15Å; I14-A47 HydrophobicContact CG1-CB 4.13Å; I14-A47 WeakPolarHBondContact O-CA 3.26Å; I14-I49 HydrophobicContact CD1-CD1 4.41Å; I14-V232 HydrophobicContact CD1-CG1 3.75Å; I14-V232 HydrophobicContact CG1-CB 4.06Å; I14-V232 HydrophobicContact CG1-CG1 3.66Å; I14-V232 WeakPolarHBondContact CG1-O 2.97Å; I14-V232 PolarHBondContact N-O 2.74Å; I14-A234 HydrophobicContact CD1-CB 3.63Å; I14-A234 HydrophobicContact CG1-CB 3.94Å; I14-A234 HydrophobicContact CG2-CB 3.93Å; I14-F238 HydrophobicContact CD1-CD1 4.18Å; I14-F238 HydrophobicContact CD1-CE1 3.9Å; I14-V239 HydrophobicContact CG2-CG2 3.66Å; I14-L244 HydrophobicContact CB-CD1 4.23Å; I14-L244 HydrophobicContact CD1-CD1 3.62Å; I14-L244 HydrophobicContact CG2-CD1 4.41Å; I14-Q247 PolarHBondContact O-NE2 3.02Å; I14-A248 HydrophobicContact CG2-CB 4.24Å
15G98.8Very high90.7Very high0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-158.9147.1172.200000112.3D46 A231 V232G15-D46 VanDerWaalsContact CA-OD2 3.25Å; G15-D46 WeakPolarHBondContact CA-OD2 3.17Å; G15-A231 CarbonylContact O-C 3.59Å; G15-A231 WeakPolarHBondContact O-CA 3.35Å; G15-V232 PolarHBondContact O-N 3.4Å
16V98.9Very high93.1Very high5 Ų543.9 Ų43.93%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-135.9150.4-178.3-64.30000111.3V13 D46 A230 A231 A363 C366 W367V13-V16 HydrophobicContact CG1-CG1 3.51Å; V16-D46 PolarHBondContact N-OD2 3.02Å; V16-A230 WeakPolarHBondContact CA-O 3.44Å; V16-A231 HydrophobicContact CG1-CB 4.34Å; V16-A363 HydrophobicContact CB-CB 3.89Å; V16-A363 HydrophobicContact CG1-CB 4.47Å; V16-A363 HydrophobicContact CG2-CB 4.1Å; V16-C366 HydrophobicContact CG1-CB 4.01Å; V16-C366 HydrophobicContact CG2-CB 4.24Å; V16-W367 HydrophobicContact CG2-CZ2 4.3Å
17G98.8Very high94.8Very high2 Ų246.5 Ų46.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-156.4145.2178.900000111.4G229 A230G17-G229 CarbonylContact O-C 3.58Å; G17-G229 WeakPolarHBondContact O-CA 3.18Å; G17-A230 PolarHBondContact N-O 2.95Å; G17-A230 PolarHBondContact O-N 3.08Å
18M98.9Very high95.4Very high4 Ų440.8 Ų40.82%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-148157.6172.765.2-177.7-66.500111.4F21 K42 Y194 A228 A360 W367M18-F21 HydrophobicContact CE-CD1 4.1Å; M18-F21 HydrophobicContact CE-CE1 3.78Å; M18-F21 HydrophobicContact CE-CE2 4.3Å; M18-F21 HydrophobicContact CE-CZ 3.9Å; M18-K42 VanDerWaalsContact O-CD 3.29Å; M18-K42 WeakPolarHBondContact O-CD 3.24Å; M18-K42 PolarHBondContact O-NZ 2.89Å; M18-Y194 HydrophobicContact CE-CG 4.39Å; M18-Y194 HydrophobicContact CG-CD1 4.05Å; M18-Y194 HydrophobicContact CG-CE1 4.29Å; M18-Y194 HydrophobicContact CG-CG 4.23Å; M18-Y194 HydrophobicContact SD-CD2 4.44Å; M18-Y194 HydrophobicContact SD-CG 4.2Å; M18-A228 CarbonylContact C-O 3.53Å; M18-A228 VanDerWaalsContact CA-O 3.26Å; M18-A228 WeakPolarHBondContact CA-O 3.32Å; M18-A228 WeakPolarHBondContact CB-O 3.4Å; M18-A360 HydrophobicContact CE-CB 3.64Å; M18-A360 HydrophobicContact SD-CB 4.02Å; M18-W367 HydrophobicContact CG-CH2 3.84Å; M18-W367 HydrophobicContact SD-CH2 3.83Å; M18-W367 HydrophobicContact SD-CZ3 4.04Å
19T98.8Very high95.5Very high1 Ų141.2 Ų41.21%0.00624%0.238CC..PPolyproline II helixtrans-77.5168.2166.667.90000109.8Y30 M35 E38 A39 G227 A228T19-Y30 WeakPolarHBondContact CG2-OH 3.36Å; T19-M35 HydrophobicContact CG2-CB 4.33Å; T19-M35 WeakPolarHBondContact CG2-O 3.38Å; T19-E38 WeakPolarHBondContact CA-OE1 3.19Å; T19-E38 HydrophobicContact CG2-CB 4.03Å; T19-E38 HydrophobicContact CG2-CG 4.19Å; T19-A39 HydrophobicContact CG2-CB 4.41Å; T19-G227 VanDerWaalsContact OG1-CA 3.28Å; T19-G227 WeakPolarHBondContact OG1-CA 3.29Å; T19-A228 HydrophobicContact CG2-CB 4.07Å; T19-A228 PolarHBondContact N-O 3.48Å; T19-A228 PolarHBondContact OG1-N 3.48Å
20K98.4Very high95.4Very high77 Ų7738.8 Ų38.834%0.33522%0.223SC..PPolyproline II helixtrans-62.6143.3155.1-174.2178.6175.6-144.30108.3D22K20-D22 WeakPolarHBondContact CD-OD1 3.36Å; K20-D22 VanDerWaalsContact CE-OD1 3.28Å; K20-D22 WeakPolarHBondContact CE-OD1 3.34Å; K20-D22 IonicContact NZ-OD1 2.88Å; K20-D22 PolarHBondContact NZ-OD1 2.57Å
21F98.6Very high95.4Very high2 Ų238.2 Ų38.21%0.00923%0.225CC..PPolyproline II helixtrans-88.3117.9168.5-72.10.5000107.8M18 Y194 Q196 D226 K350 P353 A356 A360M18-F21 HydrophobicContact CE-CD1 4.1Å; M18-F21 HydrophobicContact CE-CE1 3.78Å; M18-F21 HydrophobicContact CE-CE2 4.3Å; M18-F21 HydrophobicContact CE-CZ 3.9Å; F21-Y194 PolarHBondContact N-O 3.48Å; F21-Q196 WeakPolarHBondContact O-CA 3.39Å; F21-Q196 VanDerWaalsContact O-CB 3.28Å; F21-Q196 WeakPolarHBondContact O-CB 3.3Å; F21-Q196 PolarHBondContact O-N 3.14Å; F21-D226 WeakPolarHBondContact CA-O 3.37Å; F21-K350 WeakPolarHBondContact CB-O 3.22Å; F21-K350 HydrophobicContact CD2-CB 4.36Å; F21-P353 HydrophobicContact CD1-CG 3.74Å; F21-P353 HydrophobicContact CD2-CG 3.52Å; F21-P353 HydrophobicContact CE1-CG 3.52Å; F21-P353 HydrophobicContact CE2-CG 3.29Å; F21-P353 HydrophobicContact CG-CG 3.74Å; F21-P353 HydrophobicContact CZ-CG 3.28Å; F21-A356 HydrophobicContact CE1-CB 4.13Å; F21-A356 HydrophobicContact CZ-CB 3.92Å; F21-A360 HydrophobicContact CE1-CB 4.49Å; F21-A360 HydrophobicContact CE2-CB 3.93Å; F21-A360 HydrophobicContact CZ-CB 3.55Å
22D96.6Very high95.3Very high29 Ų2940.5 Ų40.516%0.15523%0.234CC..BIsolated β-bridgetrans-116.5156-174.4-75.9-56.3000110.4K20 A26 Q196 S225 D226K20-D22 WeakPolarHBondContact CD-OD1 3.36Å; K20-D22 VanDerWaalsContact CE-OD1 3.28Å; K20-D22 WeakPolarHBondContact CE-OD1 3.34Å; K20-D22 IonicContact NZ-OD1 2.88Å; K20-D22 PolarHBondContact NZ-OD1 2.57Å; D22-A26 HydrophobicContact CB-CB 4.15Å; D22-Q196 PolarHBondContact O-OE1 3.33Å; D22-S225 CarbonylContact O-C 3.5Å; D22-S225 VanDerWaalsContact O-CA 3.24Å; D22-S225 WeakPolarHBondContact O-CA 3.37Å; D22-S225 WeakPolarHBondContact O-CB 3.42Å; D22-D226 PolarHBondContact N-O 3.32Å; D22-D226 PolarHBondContact O-N 3.36Å
23K96.6Very high95.3Very high109 Ų10941.2 Ų41.247%0.47424%0.238SC..  trans-58140.5172.6179.5179.6178.1177.70109.4G25 A26K23-G25 PolarHBondContact O-N 3.43Å; K23-A26 WeakPolarHBondContact O-CB 3.39Å; K23-A26 PolarHBondContact O-N 3.48Å
24P95.8Very high95.3Very high5 Ų544.4 Ų44.43%0.03226%0.255CS..THydrogen-bonded Turntrans-54.9130.1-177.9-30.837000113.6A26 M121 R123 T224 D226P24-A26 VanDerWaalsContact C-N 3.33Å; P24-M121 WeakPolarHBondContact CB-O 3.07Å; P24-M121 HydrophobicContact CG-CB 4.08Å; P24-R123 HydrophobicContact CB-CG 4Å; P24-R123 PolarHBondContact O-NE 2.87Å; P24-R123 PolarHBondContact O-NH2 3.15Å; P24-T224 WeakPolarHBondContact CD-O 3.33Å; P24-D226 VanDerWaalsContact CA-OD2 3.31Å; P24-D226 WeakPolarHBondContact CA-OD2 3.03Å
25G90.3Very high95.3Very high51 Ų5144.5 Ų44.553%0.52626%0.256SS..THydrogen-bonded Turntrans68.523.7-176.400000115K23 R27 D226K23-G25 PolarHBondContact O-N 3.43Å; G25-R27 VanDerWaalsContact C-N 3.32Å; G25-D226 PolarHBondContact N-OD2 2.96Å; G25-D226 VanDerWaalsContact N-OD2 3.15Å
26A91.5Very high95.3Very high60 Ų6044.5 Ų44.550%0.49626%0.256SS..SBendtrans-71.5-26.317300000113.1D22 K23 P24D22-A26 HydrophobicContact CB-CB 4.15Å; K23-A26 WeakPolarHBondContact O-CB 3.39Å; K23-A26 PolarHBondContact O-N 3.48Å; P24-A26 VanDerWaalsContact C-N 3.33Å
27R89Confident95.3Very high112 Ų11248.3 Ų48.342%0.42327%0.272SS..SBendtrans-116.9109.4178.1-64.9178.661.6178-3.1109G25 Y30 E38G25-R27 VanDerWaalsContact C-N 3.32Å; R27-Y30 HydrophobicContact CB-CD1 4.1Å; R27-Y30 HydrophobicContact CB-CG 4.14Å; R27-Y30 HydrophobicContact CG-CD1 4.49Å; R27-Y30 VanDerWaalsContact CZ-CD2 3.48Å; R27-Y30 VanDerWaalsContact CZ-CE2 3.48Å; R27-Y30 VanDerWaalsContact NH1-CE1 3.29Å; R27-Y30 PolarHBondContact NH1-OH 2.94Å; R27-Y30 VanDerWaalsContact NH2-CE2 3.27Å; R27-E38 IonicContact NH1-OE2 3.33Å
28G80.2Confident95.3Very high79 Ų7950.5 Ų50.581%0.81428%0.282SS*.THydrogen-bonded Turntrans-62.4-50.5-171.100000114.5Y30G28-Y30 VanDerWaalsContact C-N 3.33Å; G28-Y30 PolarHBondContact O-N 3.26Å
29D84.9Confident95.3Very high172 Ų17250.3 Ų50.392%0.9228%0.281SS*.THydrogen-bonded Turntrans-96.540.9-178.3-58.8-34.9000112.2
30Y93.4Very high95.3Very high30 Ų3050.3 Ų50.312%0.11828%0.28CS..  trans-133.4112.4-175.7-167.6-119000110T19 R27 G28 D34 M35 E38T19-Y30 WeakPolarHBondContact CG2-OH 3.36Å; R27-Y30 HydrophobicContact CB-CD1 4.1Å; R27-Y30 HydrophobicContact CB-CG 4.14Å; R27-Y30 HydrophobicContact CG-CD1 4.49Å; R27-Y30 VanDerWaalsContact CZ-CD2 3.48Å; R27-Y30 VanDerWaalsContact CZ-CE2 3.48Å; R27-Y30 VanDerWaalsContact NH1-CE1 3.29Å; R27-Y30 PolarHBondContact NH1-OH 2.94Å; R27-Y30 VanDerWaalsContact NH2-CE2 3.27Å; G28-Y30 VanDerWaalsContact C-N 3.33Å; G28-Y30 PolarHBondContact O-N 3.26Å; Y30-D34 HydrophobicContact CD2-CB 3.45Å; Y30-D34 VanDerWaalsContact CD2-CB 3.45Å; Y30-D34 HydrophobicContact CE2-CB 3.51Å; Y30-D34 HydrophobicContact CG-CB 4.4Å; Y30-M35 HydrophobicContact CD1-CG 3.82Å; Y30-M35 HydrophobicContact CD1-SD 4.47Å; Y30-M35 HydrophobicContact CE1-CB 4.38Å; Y30-M35 HydrophobicContact CE1-CG 3.23Å; Y30-M35 HydrophobicContact CE1-SD 4.13Å; Y30-M35 HydrophobicContact CE2-CG 4.47Å; Y30-E38 PolarHBondContact OH-OE2 3.48Å
31D97.5Very high95.3Very high58 Ų5850.9 Ų50.931%0.3128%0.284SS..  trans-119.9175.5-176.1-149.5-18.9000112.2P33 D34 M35 K120D31-P33 VanDerWaalsContact C-N 3.3Å; D31-D34 PolarHBondContact N-OD2 3.24Å; D31-D34 VanDerWaalsContact N-OD2 3.08Å; D31-D34 WeakPolarHBondContact O-CA 3.35Å; D31-D34 WeakPolarHBondContact O-CB 3.43Å; D31-D34 PolarHBondContact O-N 2.79Å; D31-M35 PolarHBondContact O-N 2.94Å; D31-K120 WeakPolarHBondContact OD1-CD 3.48Å; D31-K120 WeakPolarHBondContact OD1-CE 3.43Å; D31-K120 IonicContact OD1-NZ 3.66Å; D31-K120 PolarHBondContact OD1-NZ 3.24Å; D31-K120 IonicContact OD2-NZ 3.88Å; D31-K120 PolarHBondContact OD2-NZ 3.34Å
32Y98.3Very high95.3Very high53 Ų5354 Ų5421%0.20830%0.298CS..Hα-helixtrans-54.4-33.5-176.274.9-94.5000114.8D34 A36 C68 R71 A72 F118Y32-D34 VanDerWaalsContact C-N 3.34Å; Y32-A36 VanDerWaalsContact O-CB 3.25Å; Y32-A36 WeakPolarHBondContact O-CB 3.41Å; Y32-A36 PolarHBondContact O-N 3.37Å; Y32-C68 HydrophobicContact CD2-CB 4.46Å; Y32-C68 HydrophobicContact CE2-CB 3.89Å; Y32-R71 HydrophobicContact CE2-CB 4.37Å; Y32-R71 HydrophobicContact CE2-CG 4.21Å; Y32-R71 WeakPolarHBondContact OH-CG 3.37Å; Y32-A72 HydrophobicContact CD2-CB 4.1Å; Y32-A72 HydrophobicContact CE2-CB 4.22Å; Y32-F118 HydrophobicContact CD2-CD2 4.26Å; Y32-F118 HydrophobicContact CD2-CE1 4.46Å; Y32-F118 AromaticContact CD2-CE2 3.62Å; Y32-F118 HydrophobicContact CD2-CE2 3.62Å; Y32-F118 AromaticContact CD2-CZ 3.74Å; Y32-F118 HydrophobicContact CD2-CZ 3.74Å; Y32-F118 HydrophobicContact CE2-CE2 4.5Å; Y32-F118 HydrophobicContact CE2-CZ 4.37Å; Y32-F118 HydrophobicContact CG-CD2 4.3Å; Y32-F118 AromaticContact CG-CE2 3.94Å; Y32-F118 HydrophobicContact CG-CE2 3.94Å
33P98.6Very high95.4Very high14 Ų1452.6 Ų52.69%0.09129%0.291CS..Hα-helixtrans-67-34172.8-20.535.8000112.9D31 K37D31-P33 VanDerWaalsContact C-N 3.3Å; P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.46Å; P33-K37 PolarHBondContact O-N 3.36Å
34D98.4Very high95.5Very high70 Ų7048.1 Ų48.137%0.37427%0.271SS..Hα-helixtrans-74-38.7178.6-55.5-58.1000111.2Y30 D31 Y32 K37 E38Y30-D34 HydrophobicContact CD2-CB 3.45Å; Y30-D34 VanDerWaalsContact CD2-CB 3.45Å; Y30-D34 HydrophobicContact CE2-CB 3.51Å; Y30-D34 HydrophobicContact CG-CB 4.4Å; D31-D34 PolarHBondContact N-OD2 3.24Å; D31-D34 VanDerWaalsContact N-OD2 3.08Å; D31-D34 WeakPolarHBondContact O-CA 3.35Å; D31-D34 WeakPolarHBondContact O-CB 3.43Å; D31-D34 PolarHBondContact O-N 2.79Å; Y32-D34 VanDerWaalsContact C-N 3.34Å; D34-K37 WeakPolarHBondContact O-CB 3.44Å; D34-K37 PolarHBondContact O-N 3.09Å; D34-E38 PolarHBondContact O-N 2.95Å
35M98.6Very high95.7Very high2 Ų256.1 Ų56.11%0.0131%0.306CS..Hα-helixtrans-59.8-50.7171.7-68.7-168.8-78.300111T19 Y30 D31 K37 E38 A39 E119 K120 D226 G227 A228T19-M35 HydrophobicContact CG2-CB 4.33Å; T19-M35 WeakPolarHBondContact CG2-O 3.38Å; Y30-M35 HydrophobicContact CD1-CG 3.82Å; Y30-M35 HydrophobicContact CD1-SD 4.47Å; Y30-M35 HydrophobicContact CE1-CB 4.38Å; Y30-M35 HydrophobicContact CE1-CG 3.23Å; Y30-M35 HydrophobicContact CE1-SD 4.13Å; Y30-M35 HydrophobicContact CE2-CG 4.47Å; D31-M35 PolarHBondContact O-N 2.94Å; M35-K37 VanDerWaalsContact C-N 3.34Å; M35-K37 PolarHBondContact O-N 3.42Å; M35-E38 PolarHBondContact O-N 2.89Å; M35-A39 PolarHBondContact O-N 3.46Å; M35-E119 WeakPolarHBondContact CE-O 3.35Å; M35-K120 HydrophobicContact CE-CB 3.84Å; M35-K120 HydrophobicContact CE-CG 4.47Å; M35-D226 HydrophobicContact CE-CB 4.35Å; M35-D226 HydrophobicContact SD-CB 3.93Å; M35-G227 VanDerWaalsContact SD-CA 3.59Å; M35-G227 PolarHBondContact SD-N 3.38Å; M35-A228 VanDerWaalsContact C-CB 3.5Å; M35-A228 HydrophobicContact CB-CB 3.79Å; M35-A228 WeakPolarHBondContact O-CB 3.23Å
36A98.8Very high96.1Very high0 Ų055.3 Ų55.30%029%0.29CS..Hα-helixtrans-60.6-41.8177.400000112.8Y32 G40 A72 L116 F118Y32-A36 VanDerWaalsContact O-CB 3.25Å; Y32-A36 WeakPolarHBondContact O-CB 3.41Å; Y32-A36 PolarHBondContact O-N 3.37Å; A36-G40 PolarHBondContact O-N 2.86Å; A36-A72 HydrophobicContact CB-CB 3.63Å; A36-L116 HydrophobicContact CB-CD1 4.3Å; A36-L116 HydrophobicContact CB-CD2 3.97Å; A36-F118 HydrophobicContact CB-CD1 4.04Å
37K98.8Very high96.4Very high84 Ų8452.5 Ų52.537%0.36527%0.266SS..Hα-helixtrans-55.8-55173.3175.2176.1-179.1-175.70110.9P33 D34 M35 A39 G40 E41P33-K37 VanDerWaalsContact O-CB 3.27Å; P33-K37 WeakPolarHBondContact O-CB 3.46Å; P33-K37 PolarHBondContact O-N 3.36Å; D34-K37 WeakPolarHBondContact O-CB 3.44Å; D34-K37 PolarHBondContact O-N 3.09Å; M35-K37 VanDerWaalsContact C-N 3.34Å; M35-K37 PolarHBondContact O-N 3.42Å; K37-A39 PolarHBondContact O-N 3.34Å; K37-G40 PolarHBondContact O-N 3.15Å; K37-E41 WeakPolarHBondContact CE-OE1 2.83Å; K37-E41 HydrophobicContact CG-CG 4.2Å; K37-E41 VanDerWaalsContact O-CB 3.28Å; K37-E41 WeakPolarHBondContact O-CB 3.19Å; K37-E41 VanDerWaalsContact O-CG 3.3Å; K37-E41 WeakPolarHBondContact O-CG 3.17Å; K37-E41 PolarHBondContact O-N 3.03Å
38E98.8Very high96.8Very high49 Ų4953.8 Ų53.823%0.22928%0.275CS..Hα-helixtrans-60.9-46.7-176.1-176.6-174.9137.600111.7T19 R27 Y30 D34 M35 K42T19-E38 WeakPolarHBondContact CA-OE1 3.19Å; T19-E38 HydrophobicContact CG2-CB 4.03Å; T19-E38 HydrophobicContact CG2-CG 4.19Å; R27-E38 IonicContact NH1-OE2 3.33Å; Y30-E38 PolarHBondContact OH-OE2 3.48Å; D34-E38 PolarHBondContact O-N 2.95Å; M35-E38 PolarHBondContact O-N 2.89Å; E38-K42 HydrophobicContact CG-CD 4.17Å; E38-K42 VanDerWaalsContact O-CB 3.32Å; E38-K42 WeakPolarHBondContact O-CB 3.44Å; E38-K42 WeakPolarHBondContact O-CD 3.49Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 2.8Å; E38-K42 VanDerWaalsContact O-N 3.08Å; E38-K42 IonicContact OE1-NZ 2.62Å; E38-K42 PolarHBondContact OE1-NZ 3.36Å
39A98.9Very high97.6Very high0 Ų050.7 Ų50.70%024%0.239CC..Hα-helixtrans-66.1-45.1178.200000112.2T19 M35 K37 K42 A43 A228 A230T19-A39 HydrophobicContact CG2-CB 4.41Å; M35-A39 PolarHBondContact O-N 3.46Å; K37-A39 PolarHBondContact O-N 3.34Å; A39-K42 PolarHBondContact O-N 3.34Å; A39-A43 PolarHBondContact O-N 3.38Å; A39-A228 HydrophobicContact CB-CB 3.71Å; A39-A230 HydrophobicContact CB-CB 4.22Å
40G98.9Very high98.2Very high0 Ų046.2 Ų46.20%022%0.22CC..Hα-helixtrans-64.4-46.6179.900000112.9A36 K37 K42 A43 L44A36-G40 PolarHBondContact O-N 2.86Å; K37-G40 PolarHBondContact O-N 3.15Å; G40-K42 VanDerWaalsContact C-N 3.35Å; G40-K42 PolarHBondContact O-N 3.37Å; G40-A43 PolarHBondContact O-N 2.98Å; G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 WeakPolarHBondContact O-CG 3.48Å; G40-L44 PolarHBondContact O-N 2.96Å
41E98.9Very high98.5Very high90 Ų9045.6 Ų45.642%0.42122%0.218SC..Hα-helixtrans-62.7-40.7175.8-73.5179.116900111.5K37 K45 L77K37-E41 WeakPolarHBondContact CE-OE1 2.83Å; K37-E41 HydrophobicContact CG-CG 4.2Å; K37-E41 VanDerWaalsContact O-CB 3.28Å; K37-E41 WeakPolarHBondContact O-CB 3.19Å; K37-E41 VanDerWaalsContact O-CG 3.3Å; K37-E41 WeakPolarHBondContact O-CG 3.17Å; K37-E41 PolarHBondContact O-N 3.03Å; E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 3.05Å; E41-L77 HydrophobicContact CG-CD2 3.89Å
42K98.9Very high98.5Very high67 Ų6747.3 Ų47.329%0.29123%0.234SC..Hα-helixtrans-60.3-45.2173.7-78.6170.1174.1173.30111.6M18 E38 A39 G40 K45 D46M18-K42 VanDerWaalsContact O-CD 3.29Å; M18-K42 WeakPolarHBondContact O-CD 3.24Å; M18-K42 PolarHBondContact O-NZ 2.89Å; E38-K42 HydrophobicContact CG-CD 4.17Å; E38-K42 VanDerWaalsContact O-CB 3.32Å; E38-K42 WeakPolarHBondContact O-CB 3.44Å; E38-K42 WeakPolarHBondContact O-CD 3.49Å; E38-K42 WeakPolarHBondContact O-CG 3.42Å; E38-K42 PolarHBondContact O-N 2.8Å; E38-K42 VanDerWaalsContact O-N 3.08Å; E38-K42 IonicContact OE1-NZ 2.62Å; E38-K42 PolarHBondContact OE1-NZ 3.36Å; A39-K42 PolarHBondContact O-N 3.34Å; G40-K42 VanDerWaalsContact C-N 3.35Å; G40-K42 PolarHBondContact O-N 3.37Å; K42-K45 PolarHBondContact O-N 3.4Å; K42-D46 WeakPolarHBondContact O-CB 3.22Å; K42-D46 PolarHBondContact O-N 2.95Å
43A98.9Very high98.5Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-67.1-43-18000000112.7A39 G40 D46 A47 A230 V232A39-A43 PolarHBondContact O-N 3.38Å; G40-A43 PolarHBondContact O-N 2.98Å; A43-D46 PolarHBondContact O-N 2.95Å; A43-A47 VanDerWaalsContact O-CB 3.3Å; A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 3.29Å; A43-A230 HydrophobicContact CB-CB 3.78Å; A43-V232 HydrophobicContact CB-CG2 4.21Å
44L98.8Very high98.6Very high14 Ų1445.4 Ų45.47%0.07323%0.23CC..Hα-helixtrans-64.6-41.5175.7-70.6168.7000111.8G40 A47 K48 I49 Y51 I54 L77 V232G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 WeakPolarHBondContact O-CG 3.48Å; G40-L44 PolarHBondContact O-N 2.96Å; L44-A47 CarbonylContact O-C 3.59Å; L44-A47 PolarHBondContact O-N 3.27Å; L44-K48 PolarHBondContact O-N 3Å; L44-I49 HydrophobicContact CD2-CD1 4.39Å; L44-I49 HydrophobicContact CD2-CG1 4.06Å; L44-I49 PolarHBondContact O-N 2.89Å; L44-Y51 HydrophobicContact CD1-CD2 4.19Å; L44-I54 HydrophobicContact CD2-CD1 3.97Å; L44-I54 HydrophobicContact CD2-CG1 3.98Å; L44-L77 HydrophobicContact CD1-CD2 4.14Å; L44-V232 HydrophobicContact CD2-CG2 4.16Å
45K98.8Very high98.6Very high173 Ų17345.9 Ų45.975%0.75223%0.23SC*.Hα-helixtrans-63.6-44.2175.5-177.6178.6179.2179.80111.6E41 K42 A47 K48E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 3.05Å; K42-K45 PolarHBondContact O-N 3.4Å; K45-A47 VanDerWaalsContact C-N 3.34Å; K45-K48 PolarHBondContact O-N 2.92Å; K45-K48 VanDerWaalsContact O-N 3.15Å
46D98.5Very high98.6Very high35 Ų3547.2 Ų47.219%0.18724%0.236CC..Hα-helixtrans-62.6-41.5175.3-17445.1000111.3G15 V16 K42 A43 K48 Q247 R370G15-D46 VanDerWaalsContact CA-OD2 3.25Å; G15-D46 WeakPolarHBondContact CA-OD2 3.17Å; V16-D46 PolarHBondContact N-OD2 3.02Å; K42-D46 WeakPolarHBondContact O-CB 3.22Å; K42-D46 PolarHBondContact O-N 2.95Å; A43-D46 PolarHBondContact O-N 2.95Å; D46-K48 PolarHBondContact O-N 3.38Å; D46-Q247 PolarHBondContact O-NE2 3.1Å; D46-R370 IonicContact OD1-CZ 3.7Å; D46-R370 IonicContact OD1-NH1 3.71Å; D46-R370 PolarHBondContact OD1-NH1 3.33Å; D46-R370 IonicContact OD1-NH2 3.71Å; D46-R370 PolarHBondContact OD1-NH2 3.39Å; D46-R370 IonicContact OD2-CZ 2.71Å; D46-R370 IonicContact OD2-NH1 3.47Å; D46-R370 PolarHBondContact OD2-NH1 3.03Å; D46-R370 IonicContact OD2-NH2 3.45Å
47A98.1Very high98.6Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-69.4-14.4174.100000114.4I14 A43 L44 K45 I49 V232I14-A47 HydrophobicContact CD1-CB 4.15Å; I14-A47 HydrophobicContact CG1-CB 4.13Å; I14-A47 WeakPolarHBondContact O-CA 3.26Å; A43-A47 VanDerWaalsContact O-CB 3.3Å; A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 3.29Å; L44-A47 CarbonylContact O-C 3.59Å; L44-A47 PolarHBondContact O-N 3.27Å; K45-A47 VanDerWaalsContact C-N 3.34Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 HydrophobicContact CB-CD1 4.31Å; A47-I49 HydrophobicContact CB-CG1 3.89Å; A47-I49 PolarHBondContact O-N 2.95Å; A47-V232 HydrophobicContact CB-CB 4.05Å; A47-V232 HydrophobicContact CB-CG1 4.16Å; A47-V232 HydrophobicContact CB-CG2 4.1Å
48K97.8Very high98.6Very high139 Ų13943.2 Ų43.260%0.60422%0.219SC*.THydrogen-bonded Turntrans5738.2-175.5-56.7166.3-177.6145.80113.3L44 K45 D46L44-K48 PolarHBondContact O-N 3Å; K45-K48 PolarHBondContact O-N 2.92Å; K45-K48 VanDerWaalsContact O-N 3.15Å; D46-K48 PolarHBondContact O-N 3.38Å
49I97.2Very high98.6Very high14 Ų1440.9 Ų40.97%0.07221%0.208CC..  trans-129.3151.8177.665.8172.8000111.5I14 L44 A47 A53 I54 C112 V232 F238I14-I49 HydrophobicContact CD1-CD1 4.41Å; L44-I49 HydrophobicContact CD2-CD1 4.39Å; L44-I49 HydrophobicContact CD2-CG1 4.06Å; L44-I49 PolarHBondContact O-N 2.89Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 HydrophobicContact CB-CD1 4.31Å; A47-I49 HydrophobicContact CB-CG1 3.89Å; A47-I49 PolarHBondContact O-N 2.95Å; I49-A53 HydrophobicContact CB-CB 4.27Å; I49-A53 HydrophobicContact CD1-CB 4.22Å; I49-I54 HydrophobicContact CD1-CD1 4.02Å; I49-C112 WeakPolarHBondContact CD1-SG 3.39Å; I49-V232 HydrophobicContact CD1-CG1 3.67Å; I49-F238 HydrophobicContact CD1-CZ 4.36Å; I49-F238 HydrophobicContact CG2-CE1 4.1Å; I49-F238 HydrophobicContact CG2-CZ 4.15Å
50P98.3Very high98.6Very high79 Ų7940.9 Ų40.951%0.51321%0.208SC..  trans-76.3159.3169.833.5-35.7000111.2S52 A53P50-S52 WeakPolarHBondContact CG-OG 3.34Å; P50-S52 PolarHBondContact O-N 3.27Å; P50-A53 HydrophobicContact CG-CB 4.38Å; P50-A53 WeakPolarHBondContact O-CB 3.42Å; P50-A53 PolarHBondContact O-N 3.48Å
51Y98.7Very high98.6Very high17 Ų1741.6 Ų41.67%0.06721%0.21CC..G310 helixtrans-59.4-27.7173.4-178.9-113.2000112.9L44 A53 I54 I73 L77 T80 I82 L114L44-Y51 HydrophobicContact CD1-CD2 4.19Å; Y51-A53 PolarHBondContact O-N 3.42Å; Y51-A53 VanDerWaalsContact O-N 3.12Å; Y51-I54 HydrophobicContact CD2-CB 4.25Å; Y51-I54 HydrophobicContact CD2-CG1 3.87Å; Y51-I54 HydrophobicContact CE2-CB 4.22Å; Y51-I54 HydrophobicContact CE2-CG1 4.22Å; Y51-I54 HydrophobicContact CE2-CG2 4.42Å; Y51-I54 WeakPolarHBondContact O-CB 3.44Å; Y51-I54 WeakPolarHBondContact O-CG1 3.5Å; Y51-I54 PolarHBondContact O-N 2.94Å; Y51-I73 HydrophobicContact CE1-CG2 4.23Å; Y51-I73 HydrophobicContact CE2-CG2 4.23Å; Y51-I73 WeakPolarHBondContact OH-CG2 3.45Å; Y51-L77 WeakPolarHBondContact CB-O 3.49Å; Y51-L77 VanDerWaalsContact CD1-C 3.48Å; Y51-L77 HydrophobicContact CD1-CB 4.07Å; Y51-L77 WeakPolarHBondContact CD1-O 3.42Å; Y51-L77 HydrophobicContact CD2-CB 3.73Å; Y51-L77 HydrophobicContact CD2-CD1 4.18Å; Y51-L77 HydrophobicContact CE1-CB 4.32Å; Y51-L77 HydrophobicContact CE2-CB 4.01Å; Y51-L77 HydrophobicContact CE2-CD1 4.18Å; Y51-L77 HydrophobicContact CG-CB 3.77Å; Y51-T80 HydrophobicContact CD1-CG2 3.79Å; Y51-T80 HydrophobicContact CE1-CG2 3.76Å; Y51-I82 HydrophobicContact CE2-CD1 4.41Å; Y51-I82 WeakPolarHBondContact OH-CD1 3.27Å; Y51-L114 HydrophobicContact CE2-CD2 4.21Å
52S98.4Very high98.6Very high94 Ų9438.8 Ų38.866%0.65720%0.2SC*.G310 helixtrans-64.2-12.2175.656.30000114.6P50P50-S52 WeakPolarHBondContact CG-OG 3.34Å; P50-S52 PolarHBondContact O-N 3.27Å
53A98.5Very high98.5Very high24 Ų2439.1 Ų39.120%0.19820%0.199CC..G310 helixtrans-84.8-13.8172.300000113.1I49 P50 Y51 C112 F238I49-A53 HydrophobicContact CB-CB 4.27Å; I49-A53 HydrophobicContact CD1-CB 4.22Å; P50-A53 HydrophobicContact CG-CB 4.38Å; P50-A53 WeakPolarHBondContact O-CB 3.42Å; P50-A53 PolarHBondContact O-N 3.48Å; Y51-A53 PolarHBondContact O-N 3.42Å; Y51-A53 VanDerWaalsContact O-N 3.12Å; A53-C112 WeakPolarHBondContact O-CB 3.44Å; A53-F238 HydrophobicContact CB-CZ 4.3Å
54I98.9Very high98.4Very high3 Ų341.1 Ų41.12%0.01522%0.22CC..  trans-75.4127177.3-56.8-57.9000108.8L44 I49 Y51 Q56 I82 L114 V232L44-I54 HydrophobicContact CD2-CD1 3.97Å; L44-I54 HydrophobicContact CD2-CG1 3.98Å; I49-I54 HydrophobicContact CD1-CD1 4.02Å; Y51-I54 HydrophobicContact CD2-CB 4.25Å; Y51-I54 HydrophobicContact CD2-CG1 3.87Å; Y51-I54 HydrophobicContact CE2-CB 4.22Å; Y51-I54 HydrophobicContact CE2-CG1 4.22Å; Y51-I54 HydrophobicContact CE2-CG2 4.42Å; Y51-I54 WeakPolarHBondContact O-CB 3.44Å; Y51-I54 WeakPolarHBondContact O-CG1 3.5Å; Y51-I54 PolarHBondContact O-N 2.94Å; I54-Q56 WeakPolarHBondContact CG2-O 3.14Å; I54-I82 HydrophobicContact CB-CD1 4.24Å; I54-I82 HydrophobicContact CG2-CD1 3.71Å; I54-I82 WeakPolarHBondContact O-CG2 3.43Å; I54-L114 HydrophobicContact CD1-CB 4.23Å; I54-L114 HydrophobicContact CG1-CB 4.36Å; I54-L114 HydrophobicContact CG2-CB 3.78Å; I54-V232 HydrophobicContact CD1-CG1 4.09Å
55E98.9Very high98.4Very high80 Ų8046.6 Ų46.637%0.37425%0.249SC..  trans-95.3-23.5-179.6-68164.5-120.100112.6I82 P83 A110 D111 C112E55-I82 WeakPolarHBondContact O-CB 3.44Å; E55-P83 WeakPolarHBondContact O-CD 3.41Å; E55-A110 HydrophobicContact CB-CB 4.01Å; E55-A110 VanDerWaalsContact OE2-CA 3.28Å; E55-A110 WeakPolarHBondContact OE2-CA 3.3Å; E55-D111 WeakPolarHBondContact OE1-CA 3.36Å; E55-D111 WeakPolarHBondContact OE1-CB 3.46Å; E55-D111 PolarHBondContact OE1-N 2.66Å; E55-D111 PolarHBondContact OE2-N 3.4Å; E55-D111 VanDerWaalsContact OE2-N 3.15Å; E55-C112 PolarHBondContact N-O 2.91Å; E55-C112 PolarHBondContact OE1-N 3.05Å
56Q98.9Very high98.3Very high29 Ų2943 Ų4314%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-155.9151.5177.3-178160-8.900111.2I54 P83 L104 V113 L114I54-Q56 WeakPolarHBondContact CG2-O 3.14Å; Q56-P83 HydrophobicContact CG-CB 4.03Å; Q56-L104 HydrophobicContact CB-CD1 4.27Å; Q56-L104 HydrophobicContact CG-CD1 3.78Å; Q56-V113 HydrophobicContact CB-CG2 4.32Å; Q56-V113 WeakPolarHBondContact O-CA 3.41Å; Q56-V113 WeakPolarHBondContact O-CG1 3.34Å; Q56-L114 PolarHBondContact O-N 2.71Å
57A98.9Very high98.3Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-123.7134.7173.900000112.7V59 I73 P83 I84 I85 L114A57-V59 HydrophobicContact CB-CG2 4.41Å; A57-I73 HydrophobicContact CB-CD1 3.99Å; A57-P83 PolarHBondContact N-O 2.87Å; A57-I84 HydrophobicContact CB-CG1 4.21Å; A57-I84 HydrophobicContact CB-CG2 4.44Å; A57-I84 WeakPolarHBondContact O-CA 3.46Å; A57-I85 PolarHBondContact O-N 3.44Å; A57-L114 CarbonylContact C-O 3.57Å; A57-L114 VanDerWaalsContact CA-O 3.3Å; A57-L114 WeakPolarHBondContact CA-O 3.48Å; A57-L114 HydrophobicContact CB-CB 4.27Å
58C98.9Very high98.4Very high0 Ų045.2 Ų45.20%026%0.262CS..EExtended strand (participates in β ladder)trans-110.8115.4172-540000108A97 M100 L114 A115 L116C58-A97 HydrophobicContact CB-CB 4.25Å; C58-A97 WeakPolarHBondContact CB-O 3.34Å; C58-M100 HydrophobicContact CB-CB 4.39Å; C58-M100 HydrophobicContact CB-SD 4.36Å; C58-L114 PolarHBondContact N-O 2.92Å; C58-A115 WeakPolarHBondContact O-CA 3.4Å; C58-L116 PolarHBondContact O-N 3.32Å
59V98.9Very high98.4Very high0 Ų038.6 Ų38.60%023%0.233CC..EExtended strand (participates in β ladder)trans-117.2118.7-171.1-167.10000111.6A57 Y61 I73 I84 I85 N86 V87 L116 F118A57-V59 HydrophobicContact CB-CG2 4.41Å; V59-Y61 HydrophobicContact CG1-CD1 4.49Å; V59-I73 HydrophobicContact CG2-CD1 3.7Å; V59-I84 HydrophobicContact CG2-CG2 3.87Å; V59-I85 PolarHBondContact N-O 2.94Å; V59-N86 CarbonylContact O-C 3.59Å; V59-N86 VanDerWaalsContact O-CA 3.3Å; V59-N86 WeakPolarHBondContact O-CA 3.08Å; V59-V87 PolarHBondContact O-N 2.96Å; V59-L116 CarbonylContact C-O 3.48Å; V59-L116 VanDerWaalsContact CA-O 3.24Å; V59-L116 WeakPolarHBondContact CA-O 3.2Å; V59-L116 HydrophobicContact CG1-CB 4.34Å; V59-L116 HydrophobicContact CG1-CD2 4.09Å; V59-L116 HydrophobicContact CG1-CG 4.21Å; V59-L116 HydrophobicContact CG2-CB 4.43Å; V59-L116 HydrophobicContact CG2-CD2 4.48Å; V59-F118 HydrophobicContact CG1-CD1 4.29Å; V59-F118 HydrophobicContact CG1-CE1 3.66Å; V59-F118 HydrophobicContact CG1-CZ 4.47Å
60G98.9Very high98.5Very high0 Ų039.6 Ų39.60%024%0.237CC..EExtended strand (participates in β ladder)trans-102.8120.5-177.700000113.9V87 L116 G117 F118G60-V87 WeakPolarHBondContact CA-O 3.27Å; G60-L116 PolarHBondContact N-O 2.99Å; G60-G117 CarbonylContact O-C 3.55Å; G60-G117 WeakPolarHBondContact O-CA 3.44Å; G60-F118 PolarHBondContact O-N 2.98Å
61Y98.8Very high98.5Very high15 Ų1541.2 Ų41.26%0.05923%0.233CC..  trans-151.4151.7168.362.5-85000110V59 D65 T67 C68 N86 V87 N88 T93 F118V59-Y61 HydrophobicContact CG1-CD1 4.49Å; Y61-D65 WeakPolarHBondContact CE2-O 3.4Å; Y61-D65 PolarHBondContact OH-O 3.43Å; Y61-T67 PolarHBondContact OH-N 2.98Å; Y61-T67 VanDerWaalsContact OH-N 3.07Å; Y61-C68 HydrophobicContact CD1-CB 4.37Å; Y61-C68 HydrophobicContact CD2-CB 4.26Å; Y61-C68 HydrophobicContact CE1-CB 3.93Å; Y61-C68 HydrophobicContact CE2-CB 3.81Å; Y61-C68 PolarHBondContact OH-N 3.5Å; Y61-N86 HydrophobicContact CE1-CB 3.76Å; Y61-N86 WeakPolarHBondContact CE1-OD1 3.36Å; Y61-V87 PolarHBondContact N-O 3Å; Y61-N88 WeakPolarHBondContact O-CB 3.37Å; Y61-T93 VanDerWaalsContact N-CG2 3.28Å; Y61-F118 WeakPolarHBondContact CB-O 3.41Å; Y61-F118 HydrophobicContact CD1-CE1 4.42Å; Y61-F118 HydrophobicContact CD1-CE2 4.17Å; Y61-F118 AromaticContact CD1-CZ 3.76Å; Y61-F118 HydrophobicContact CD1-CZ 3.76Å; Y61-F118 HydrophobicContact CE1-CZ 4.49Å; Y61-F118 AromaticContact CG-CE2 3.86Å; Y61-F118 HydrophobicContact CG-CE2 3.86Å; Y61-F118 AromaticContact CG-CZ 3.96Å; Y61-F118 HydrophobicContact CG-CZ 3.96Å
62V98.2Very high98.5Very high32 Ų3240.5 Ų40.519%0.19423%0.23CC..SBendtrans-100-45.7177.6178.60000111.2T93 E119 L354V62-T93 WeakPolarHBondContact CG2-OG1 3.26Å; V62-E119 PolarHBondContact N-OE1 3.49Å; V62-E119 PolarHBondContact N-OE2 3.35Å; V62-L354 HydrophobicContact CB-CB 4.38Å; V62-L354 HydrophobicContact CB-CD1 3.98Å; V62-L354 HydrophobicContact CG1-CD1 4.07Å; V62-L354 HydrophobicContact CG2-CB 3.77Å; V62-L354 HydrophobicContact CG2-CD1 3.99Å
63Y97Very high98.6Very high73 Ų7336 Ų3629%0.28620%0.199SC..SBendtrans-104.5118.2-178.2-59.6-60.7000110.9E119 L126 K129 L354Y63-E119 WeakPolarHBondContact CB-OE1 3.46Å; Y63-E119 HydrophobicContact CD2-CG 4.43Å; Y63-E119 PolarHBondContact N-OE1 2.98Å; Y63-L126 HydrophobicContact CE2-CD2 3.98Å; Y63-K129 HydrophobicContact CE1-CG 4.26Å; Y63-L354 HydrophobicContact CD2-CD1 4.37Å; Y63-L354 HydrophobicContact CE2-CD1 3.73Å
64G96.5Very high98.6Very high42 Ų4239.4 Ų39.443%0.43321%0.207SC..SBendtrans153.5152.6-178.700000109.1
65D98.4Very high98.4Very high129 Ų12945.8 Ų45.869%0.6924%0.237SC*.  trans-64.8164.3173.9-71.7-21.9000110.7Y61 T67 C68Y61-D65 WeakPolarHBondContact CE2-O 3.4Å; Y61-D65 PolarHBondContact OH-O 3.43Å; D65-T67 PolarHBondContact O-N 2.98Å; D65-C68 PolarHBondContact O-N 2.95Å; D65-C68 PolarHBondContact O-SG 2.84Å
66S98.5Very high98.3Very high98 Ų9843.5 Ų43.569%0.68523%0.229SC*.THydrogen-bonded Turntrans-53.1140.6171.3-172.80000110
67T98.6Very high98.3Very high72 Ų7243.2 Ų43.244%0.44223%0.229SC..THydrogen-bonded Turntrans75.313.1179.977.90000117.5Y61 D65 G69 Q70 R71Y61-T67 PolarHBondContact OH-N 2.98Å; Y61-T67 VanDerWaalsContact OH-N 3.07Å; D65-T67 PolarHBondContact O-N 2.98Å; T67-G69 PolarHBondContact O-N 3.12Å; T67-G69 VanDerWaalsContact O-N 3.13Å; T67-Q70 PolarHBondContact O-N 3.36Å; T67-Q70 VanDerWaalsContact O-N 3.16Å; T67-Q70 PolarHBondContact O-OE1 3.48Å; T67-R71 PolarHBondContact O-N 3.05Å; T67-R71 VanDerWaalsContact O-N 3.09Å
68C98.8Very high98.2Very high10 Ų1044.2 Ų44.27%0.06824%0.239CC..Hα-helixtrans-55-29.7168.4-76.70000112.4Y32 Y61 D65 R71 A72 F118Y32-C68 HydrophobicContact CD2-CB 4.46Å; Y32-C68 HydrophobicContact CE2-CB 3.89Å; Y61-C68 HydrophobicContact CD1-CB 4.37Å; Y61-C68 HydrophobicContact CD2-CB 4.26Å; Y61-C68 HydrophobicContact CE1-CB 3.93Å; Y61-C68 HydrophobicContact CE2-CB 3.81Å; Y61-C68 PolarHBondContact OH-N 3.5Å; D65-C68 PolarHBondContact O-N 2.95Å; D65-C68 PolarHBondContact O-SG 2.84Å; C68-R71 PolarHBondContact O-N 3.5Å; C68-A72 WeakPolarHBondContact O-CB 3.25Å; C68-A72 PolarHBondContact O-N 3.19Å; C68-F118 HydrophobicContact CB-CE2 4.33Å; C68-F118 HydrophobicContact CB-CZ 3.98Å
69G98.8Very high98.2Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-65.4-44.9175.700000113.9T67 R71 A72 I73 N86T67-G69 PolarHBondContact O-N 3.12Å; T67-G69 VanDerWaalsContact O-N 3.13Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.3Å; G69-A72 PolarHBondContact O-N 2.8Å; G69-I73 WeakPolarHBondContact O-CG1 3.24Å; G69-I73 PolarHBondContact O-N 2.88Å; G69-N86 WeakPolarHBondContact CA-OD1 3.25Å; G69-N86 PolarHBondContact N-OD1 3.5Å; G69-N86 VanDerWaalsContact N-OD1 3.1Å
70Q98.8Very high98.2Very high35 Ų3553.1 Ų53.116%0.16429%0.288CS..Hα-helixtrans-57.6-49.5170.5-73.887-22.800110.5T67 A72 I73 Y74 I84 N86T67-Q70 PolarHBondContact O-N 3.36Å; T67-Q70 VanDerWaalsContact O-N 3.16Å; T67-Q70 PolarHBondContact O-OE1 3.48Å; Q70-A72 PolarHBondContact O-N 2.93Å; Q70-I73 PolarHBondContact O-N 3.37Å; Q70-I73 VanDerWaalsContact O-N 3.08Å; Q70-Y74 HydrophobicContact CB-CD2 4.33Å; Q70-Y74 HydrophobicContact CB-CE1 4.05Å; Q70-Y74 HydrophobicContact CB-CE2 3.8Å; Q70-Y74 HydrophobicContact CG-CE1 4.21Å; Q70-Y74 HydrophobicContact CG-CE2 4.3Å; Q70-Y74 WeakPolarHBondContact CG-OH 3.34Å; Q70-Y74 WeakPolarHBondContact O-CD1 3.44Å; Q70-Y74 PolarHBondContact O-N 3Å; Q70-I84 HydrophobicContact CG-CB 4.28Å; Q70-I84 HydrophobicContact CG-CD1 4.32Å; Q70-I84 HydrophobicContact CG-CG2 4.24Å; Q70-N86 PolarHBondContact OE1-ND2 3.38Å; Q70-N86 PolarHBondContact OE1-OD1 2.99Å
71R98.8Very high98.1Very high113 Ų11357 Ų5743%0.42633%0.328SS..Hα-helixtrans-60.3-33.2-179179.255.8-173.385.2-2.2112.7Y32 T67 C68 G69Y32-R71 HydrophobicContact CE2-CB 4.37Å; Y32-R71 HydrophobicContact CE2-CG 4.21Å; Y32-R71 WeakPolarHBondContact OH-CG 3.37Å; T67-R71 PolarHBondContact O-N 3.05Å; T67-R71 VanDerWaalsContact O-N 3.09Å; C68-R71 PolarHBondContact O-N 3.5Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 3.3Å
72A98.7Very high98.1Very high1 Ų157.9 Ų57.91%0.00833%0.334CS..Hα-helixtrans-73.2-28.1178.200000113.5Y32 A36 C68 G69 Q70 S76 F118Y32-A72 HydrophobicContact CD2-CB 4.1Å; Y32-A72 HydrophobicContact CE2-CB 4.22Å; A36-A72 HydrophobicContact CB-CB 3.63Å; C68-A72 WeakPolarHBondContact O-CB 3.25Å; C68-A72 PolarHBondContact O-N 3.19Å; G69-A72 PolarHBondContact O-N 2.8Å; Q70-A72 PolarHBondContact O-N 2.93Å; A72-S76 PolarHBondContact O-OG 2.87Å; A72-F118 HydrophobicContact CB-CD1 4.34Å; A72-F118 HydrophobicContact CB-CE1 3.61Å; A72-F118 HydrophobicContact CB-CZ 4.08Å
73I98.8Very high98.2Very high0 Ų059.8 Ų59.80%035%0.347CS..Hα-helixtrans-94-42.5-175.1-71.8175.2000112.7Y51 A57 V59 G69 Q70 H75 S76 L77 G78 I84 L116Y51-I73 HydrophobicContact CE1-CG2 4.23Å; Y51-I73 HydrophobicContact CE2-CG2 4.23Å; Y51-I73 WeakPolarHBondContact OH-CG2 3.45Å; A57-I73 HydrophobicContact CB-CD1 3.99Å; V59-I73 HydrophobicContact CG2-CD1 3.7Å; G69-I73 WeakPolarHBondContact O-CG1 3.24Å; G69-I73 PolarHBondContact O-N 2.88Å; Q70-I73 PolarHBondContact O-N 3.37Å; Q70-I73 VanDerWaalsContact O-N 3.08Å; I73-H75 PolarHBondContact O-N 3.01Å; I73-S76 PolarHBondContact O-N 2.97Å; I73-S76 PolarHBondContact O-OG 2.97Å; I73-S76 VanDerWaalsContact O-OG 3.13Å; I73-L77 HydrophobicContact CG1-CD1 4.33Å; I73-L77 HydrophobicContact CG2-CB 4.25Å; I73-L77 PolarHBondContact O-N 3.47Å; I73-G78 PolarHBondContact O-N 2.95Å; I73-I84 HydrophobicContact CB-CD1 4.49Å; I73-I84 HydrophobicContact CD1-CD1 4.15Å; I73-I84 HydrophobicContact CD1-CG2 4.3Å; I73-I84 HydrophobicContact CG2-CD1 4.19Å; I73-L116 HydrophobicContact CD1-CD2 4.15Å; I73-L116 HydrophobicContact CG1-CD2 3.88Å
74Y98.6Very high98.3Very high95 Ų9557.4 Ų57.437%0.37334%0.339SS..Hα-helixtrans-59.7-41.1-164.2-74.6-5.8000115.4Q70 L79 I84Q70-Y74 HydrophobicContact CB-CD2 4.33Å; Q70-Y74 HydrophobicContact CB-CE1 4.05Å; Q70-Y74 HydrophobicContact CB-CE2 3.8Å; Q70-Y74 HydrophobicContact CG-CE1 4.21Å; Q70-Y74 HydrophobicContact CG-CE2 4.3Å; Q70-Y74 WeakPolarHBondContact CG-OH 3.34Å; Q70-Y74 WeakPolarHBondContact O-CD1 3.44Å; Q70-Y74 PolarHBondContact O-N 3Å; Y74-L79 HydrophobicContact CD1-CD2 3.48Å; Y74-L79 VanDerWaalsContact CD1-CD2 3.48Å; Y74-L79 HydrophobicContact CD2-CD2 3.74Å; Y74-L79 HydrophobicContact CE1-CD2 3.94Å; Y74-L79 HydrophobicContact CE2-CD2 4.19Å; Y74-L79 HydrophobicContact CG-CD2 3.35Å; Y74-L79 HydrophobicContact CG-CG 4.4Å; Y74-I84 HydrophobicContact CD1-CD1 4.38Å; Y74-I84 HydrophobicContact CE1-CD1 3.71Å
75H96.6Very high98.4Very high138 Ų13858.7 Ų58.764%0.63934%0.335SS*.THydrogen-bonded Turntrans-98.39.8-173.3-54.8-69.5000113.1I73I73-H75 PolarHBondContact O-N 3.01Å
76S96.3Very high98.4Very high31 Ų3154.5 Ų54.522%0.21731%0.313CS..THydrogen-bonded Turntrans-128.8-68.2-176.753.30000110.9A72 I73A72-S76 PolarHBondContact O-OG 2.87Å; I73-S76 PolarHBondContact O-N 2.97Å; I73-S76 PolarHBondContact O-OG 2.97Å; I73-S76 VanDerWaalsContact O-OG 3.13Å
77L98.1Very high98.4Very high23 Ų2350.6 Ų50.612%0.1228%0.284CS..THydrogen-bonded Turntrans-81.5-38.3-176.3-51.6-174.5000111.9E41 L44 Y51 I73 L114E41-L77 HydrophobicContact CG-CD2 3.89Å; L44-L77 HydrophobicContact CD1-CD2 4.14Å; Y51-L77 WeakPolarHBondContact CB-O 3.49Å; Y51-L77 VanDerWaalsContact CD1-C 3.48Å; Y51-L77 HydrophobicContact CD1-CB 4.07Å; Y51-L77 WeakPolarHBondContact CD1-O 3.42Å; Y51-L77 HydrophobicContact CD2-CB 3.73Å; Y51-L77 HydrophobicContact CD2-CD1 4.18Å; Y51-L77 HydrophobicContact CE1-CB 4.32Å; Y51-L77 HydrophobicContact CE2-CB 4.01Å; Y51-L77 HydrophobicContact CE2-CD1 4.18Å; Y51-L77 HydrophobicContact CG-CB 3.77Å; I73-L77 HydrophobicContact CG1-CD1 4.33Å; I73-L77 HydrophobicContact CG2-CB 4.25Å; I73-L77 PolarHBondContact O-N 3.47Å; L77-L114 HydrophobicContact CD1-CD2 3.79Å
78G97.4Very high98.4Very high21 Ų2152.5 Ų52.522%0.21629%0.292CS..  trans140.9179.2170.800000115.6I73I73-G78 PolarHBondContact O-N 2.95Å
79L98.3Very high98.4Very high125 Ų12553.9 Ų53.965%0.65430%0.299SS*.  trans-118.882.9-177.4-75.1166.1000110.4Y74Y74-L79 HydrophobicContact CD1-CD2 3.48Å; Y74-L79 VanDerWaalsContact CD1-CD2 3.48Å; Y74-L79 HydrophobicContact CD2-CD2 3.74Å; Y74-L79 HydrophobicContact CE1-CD2 3.94Å; Y74-L79 HydrophobicContact CE2-CD2 4.19Å; Y74-L79 HydrophobicContact CG-CD2 3.35Å; Y74-L79 HydrophobicContact CG-CG 4.4Å
80T98.5Very high98.3Very high62 Ų6256.4 Ų56.438%0.3831%0.312SS..  trans-98.7-8.6-174.453.30000114.1Y51 I82Y51-T80 HydrophobicContact CD1-CG2 3.79Å; Y51-T80 HydrophobicContact CE1-CG2 3.76Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 2.81Å; T80-I82 WeakPolarHBondContact OG1-CG1 3.29Å; T80-I82 WeakPolarHBondContact OG1-CG2 3.25Å
81G98.4Very high98.3Very high81 Ų8156 Ų5684%0.83531%0.313SS*.  trans77.27.1-176.300000114.8
82I98.8Very high98.3Very high34 Ų3450.6 Ų50.617%0.17429%0.292CS..  trans-67.8157.8179.566.2172.8000112.3Y51 I54 E55 T80 I84Y51-I82 HydrophobicContact CE2-CD1 4.41Å; Y51-I82 WeakPolarHBondContact OH-CD1 3.27Å; I54-I82 HydrophobicContact CB-CD1 4.24Å; I54-I82 HydrophobicContact CG2-CD1 3.71Å; I54-I82 WeakPolarHBondContact O-CG2 3.43Å; E55-I82 WeakPolarHBondContact O-CB 3.44Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 2.81Å; T80-I82 WeakPolarHBondContact OG1-CG1 3.29Å; T80-I82 WeakPolarHBondContact OG1-CG2 3.25Å; I82-I84 HydrophobicContact CG1-CG1 4.33Å; I82-I84 PolarHBondContact O-N 3.41Å
83P98.9Very high98.3Very high72 Ų7250.5 Ų50.547%0.46829%0.292SS..  trans-61.9133171.3-18.431.8000111.4E55 Q56 A57E55-P83 WeakPolarHBondContact O-CD 3.41Å; Q56-P83 HydrophobicContact CG-CB 4.03Å; A57-P83 PolarHBondContact N-O 2.87Å
84I98.9Very high98.3Very high23 Ų2350.5 Ų50.512%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-128.1119.5174.1-56.6-179.3000107.9A57 V59 Q70 I73 Y74 I82A57-I84 HydrophobicContact CB-CG1 4.21Å; A57-I84 HydrophobicContact CB-CG2 4.44Å; A57-I84 WeakPolarHBondContact O-CA 3.46Å; V59-I84 HydrophobicContact CG2-CG2 3.87Å; Q70-I84 HydrophobicContact CG-CB 4.28Å; Q70-I84 HydrophobicContact CG-CD1 4.32Å; Q70-I84 HydrophobicContact CG-CG2 4.24Å; I73-I84 HydrophobicContact CB-CD1 4.49Å; I73-I84 HydrophobicContact CD1-CD1 4.15Å; I73-I84 HydrophobicContact CD1-CG2 4.3Å; I73-I84 HydrophobicContact CG2-CD1 4.19Å; Y74-I84 HydrophobicContact CD1-CD1 4.38Å; Y74-I84 HydrophobicContact CE1-CD1 3.71Å; I82-I84 HydrophobicContact CG1-CG1 4.33Å; I82-I84 PolarHBondContact O-N 3.41Å
85I98.9Very high98.3Very high70 Ų7046 Ų4636%0.35927%0.274SS..EExtended strand (participates in β ladder)trans-113.9127.8-179.9-57.2178000109.1A57 V59 V87 M100A57-I85 PolarHBondContact O-N 3.44Å; V59-I85 PolarHBondContact N-O 2.94Å; I85-V87 HydrophobicContact CG2-CG1 4Å; I85-M100 HydrophobicContact CB-SD 4.25Å; I85-M100 HydrophobicContact CD1-SD 4.14Å; I85-M100 HydrophobicContact CG2-CE 4.37Å; I85-M100 HydrophobicContact CG2-SD 4.06Å
86N98.9Very high98.4Very high41 Ų4140.1 Ų40.122%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-90.3130.3173.3-53.7-73000109.2V59 Y61 G69 Q70V59-N86 CarbonylContact O-C 3.59Å; V59-N86 VanDerWaalsContact O-CA 3.3Å; V59-N86 WeakPolarHBondContact O-CA 3.08Å; Y61-N86 HydrophobicContact CE1-CB 3.76Å; Y61-N86 WeakPolarHBondContact CE1-OD1 3.36Å; G69-N86 WeakPolarHBondContact CA-OD1 3.25Å; G69-N86 PolarHBondContact N-OD1 3.5Å; G69-N86 VanDerWaalsContact N-OD1 3.1Å; Q70-N86 PolarHBondContact OE1-ND2 3.38Å; Q70-N86 PolarHBondContact OE1-OD1 2.99Å
87V98.9Very high98.6Very high15 Ų1538.7 Ų38.79%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-129.8151.1-177.8-60.20000110.7V59 G60 Y61 I85 T93 T96 A97 M100V59-V87 PolarHBondContact O-N 2.96Å; G60-V87 WeakPolarHBondContact CA-O 3.27Å; Y61-V87 PolarHBondContact N-O 3Å; I85-V87 HydrophobicContact CG2-CG1 4Å; V87-T93 WeakPolarHBondContact O-CG2 3.35Å; V87-T96 HydrophobicContact CB-CG2 4.15Å; V87-T96 HydrophobicContact CG2-CG2 4.13Å; V87-A97 HydrophobicContact CG2-CB 3.93Å; V87-M100 HydrophobicContact CG1-CE 3.45Å; V87-M100 VanDerWaalsContact CG1-CE 3.45Å; V87-M100 HydrophobicContact CG1-SD 3.96Å
88N98.7Very high98.6Very high112 Ų11237.6 Ų37.660%0.59923%0.232SC*.  trans-146.8149.3170.866.382.8000110.4Y61Y61-N88 WeakPolarHBondContact O-CB 3.37Å
89N98.4Very high98.7Very high40 Ų4038 Ų3821%0.21423%0.228CC..  trans-157.647.2175.2-140-19.5000110C91 S92 T93 T96 A394N89-C91 PolarHBondContact O-N 3.42Å; N89-S92 PolarHBondContact O-N 3.14Å; N89-S92 PolarHBondContact O-OG 3.46Å; N89-T93 PolarHBondContact N-OG1 2.9Å; N89-T96 HydrophobicContact CB-CG2 4.46Å; N89-T96 WeakPolarHBondContact CB-OG1 3.44Å; N89-A394 WeakPolarHBondContact ND2-CB 3.12Å
90N97.7Very high98.7Very high53 Ų5334.5 Ų34.528%0.28321%0.209SC..G310 helixtrans48.6-131-170.9-72.4-41000112.1S92 T93 L391N90-S92 PolarHBondContact O-N 3.27Å; N90-S92 VanDerWaalsContact O-N 3.09Å; N90-T93 PolarHBondContact N-OG1 2.85Å; N90-T93 VanDerWaalsContact O-CB 3.23Å; N90-T93 WeakPolarHBondContact O-CB 3.4Å; N90-T93 PolarHBondContact O-N 2.75Å; N90-T93 VanDerWaalsContact O-N 3.07Å; N90-T93 PolarHBondContact O-OG1 3.4Å; N90-L391 PolarHBondContact ND2-O 2.75Å
91C97.9Very high98.7Very high25 Ų2531.6 Ų31.617%0.16919%0.191CC..G310 helixtrans-65.2-13.3-174.2-54.40000114.4N89 H352 N388 I389N89-C91 PolarHBondContact O-N 3.42Å; C91-H352 WeakPolarHBondContact CB-NE2 3.41Å; C91-H352 PolarHBondContact SG-NE2 3.17Å; C91-N388 PolarHBondContact O-ND2 2.96Å; C91-I389 CarbonylContact C-O 3.6Å; C91-I389 VanDerWaalsContact CB-O 3.24Å; C91-I389 WeakPolarHBondContact CB-O 3.35Å
92S98.8Very high98.8Very high0 Ų028.9 Ų28.90%016%0.155CC..G310 helixtrans-9811.7174.6640000114.5N89 N90 G94 S95 T96 N388 G390 A394N89-S92 PolarHBondContact O-N 3.14Å; N89-S92 PolarHBondContact O-OG 3.46Å; N90-S92 PolarHBondContact O-N 3.27Å; N90-S92 VanDerWaalsContact O-N 3.09Å; S92-G94 PolarHBondContact O-N 3.17Å; S92-S95 PolarHBondContact O-N 3.11Å; S92-S95 VanDerWaalsContact O-N 3.14Å; S92-T96 PolarHBondContact O-N 3.34Å; S92-T96 PolarHBondContact O-OG1 3.32Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å; S92-N388 WeakPolarHBondContact CA-OD1 3.45Å; S92-G390 PolarHBondContact OG-N 3.23Å; S92-A394 WeakPolarHBondContact CB-O 3.31Å; S92-A394 PolarHBondContact OG-O 2.97Å
93T98.9Very high98.8Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-54.9-45-178.8-68.30000113.4Y61 V62 V87 N89 N90 S95 T96 A97Y61-T93 VanDerWaalsContact N-CG2 3.28Å; V62-T93 WeakPolarHBondContact CG2-OG1 3.26Å; V87-T93 WeakPolarHBondContact O-CG2 3.35Å; N89-T93 PolarHBondContact N-OG1 2.9Å; N90-T93 PolarHBondContact N-OG1 2.85Å; N90-T93 VanDerWaalsContact O-CB 3.23Å; N90-T93 WeakPolarHBondContact O-CB 3.4Å; N90-T93 PolarHBondContact O-N 2.75Å; N90-T93 VanDerWaalsContact O-N 3.07Å; N90-T93 PolarHBondContact O-OG1 3.4Å; T93-S95 VanDerWaalsContact C-N 3.35Å; T93-S95 PolarHBondContact O-N 3.29Å; T93-T96 WeakPolarHBondContact O-CB 3.36Å; T93-T96 PolarHBondContact O-N 2.73Å; T93-T96 VanDerWaalsContact O-N 3.13Å; T93-A97 PolarHBondContact O-N 3.08Å
94G98.9Very high98.8Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-62.3-40.8177.900000113S92 T96 A97 L98 G355S92-G94 PolarHBondContact O-N 3.17Å; G94-T96 VanDerWaalsContact C-N 3.31Å; G94-A97 PolarHBondContact O-N 2.88Å; G94-L98 PolarHBondContact O-N 3.28Å; G94-L98 VanDerWaalsContact O-N 3.08Å; G94-G355 WeakPolarHBondContact CA-O 3.24Å; G94-G355 PolarHBondContact N-O 3.21Å
95S98.9Very high98.7Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-73.4-24.7175.6-59.40000112.7S92 T93 L98 F99 G358 Q386 N388S92-S95 PolarHBondContact O-N 3.11Å; S92-S95 VanDerWaalsContact O-N 3.14Å; T93-S95 VanDerWaalsContact C-N 3.35Å; T93-S95 PolarHBondContact O-N 3.29Å; S95-L98 PolarHBondContact O-N 2.87Å; S95-F99 WeakPolarHBondContact O-CB 3.14Å; S95-F99 PolarHBondContact O-N 3.13Å; S95-G358 VanDerWaalsContact OG-CA 3.29Å; S95-G358 WeakPolarHBondContact OG-CA 3.42Å; S95-Q386 PolarHBondContact OG-NE2 2.98Å; S95-N388 VanDerWaalsContact CB-OD1 3.32Å; S95-N388 WeakPolarHBondContact CB-OD1 3.49Å; S95-N388 WeakPolarHBondContact OG-CB 3.49Å; S95-N388 VanDerWaalsContact OG-CG 3.27Å; S95-N388 PolarHBondContact OG-OD1 2.89Å
96T98.9Very high98.7Very high15 Ų1526.8 Ų26.89%0.09214%0.137CC..Hα-helixtrans-67.4-42.7171.5-63.10000111V87 N89 S92 T93 G94 F99 M100 M256V87-T96 HydrophobicContact CB-CG2 4.15Å; V87-T96 HydrophobicContact CG2-CG2 4.13Å; N89-T96 HydrophobicContact CB-CG2 4.46Å; N89-T96 WeakPolarHBondContact CB-OG1 3.44Å; S92-T96 PolarHBondContact O-N 3.34Å; S92-T96 PolarHBondContact O-OG1 3.32Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å; T93-T96 WeakPolarHBondContact O-CB 3.36Å; T93-T96 PolarHBondContact O-N 2.73Å; T93-T96 VanDerWaalsContact O-N 3.13Å; G94-T96 VanDerWaalsContact C-N 3.31Å; T96-F99 PolarHBondContact O-N 2.94Å; T96-M100 PolarHBondContact O-N 3.31Å; T96-M256 HydrophobicContact CG2-CE 4.06Å
97A98.9Very high98.7Very high0 Ų027.5 Ų27.50%015%0.154CC..Hα-helixtrans-61.4-43.9172.400000111.5C58 V87 T93 G94 F99 M100 A101 A115C58-A97 HydrophobicContact CB-CB 4.25Å; C58-A97 WeakPolarHBondContact CB-O 3.34Å; V87-A97 HydrophobicContact CG2-CB 3.93Å; T93-A97 PolarHBondContact O-N 3.08Å; G94-A97 PolarHBondContact O-N 2.88Å; A97-F99 PolarHBondContact O-N 2.74Å; A97-M100 PolarHBondContact O-N 2.72Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.49Å; A97-A115 HydrophobicContact CB-CB 4.48Å
98L98.9Very high98.6Very high0 Ų029 Ų290%017%0.173CC..Hα-helixtrans-61.6-42.4174.6-175.664.8000112.4G94 S95 A101 R102 A115 A231 L233 I251 L359 C362 Y400G94-L98 PolarHBondContact O-N 3.28Å; G94-L98 VanDerWaalsContact O-N 3.08Å; S95-L98 PolarHBondContact O-N 2.87Å; L98-A101 PolarHBondContact O-N 3.46Å; L98-R102 WeakPolarHBondContact O-CB 3.19Å; L98-R102 PolarHBondContact O-N 3.07Å; L98-A115 HydrophobicContact CD1-CB 4.47Å; L98-A231 HydrophobicContact CD1-CB 4.35Å; L98-L233 HydrophobicContact CD1-CD1 3.67Å; L98-L233 HydrophobicContact CD1-CD2 3.83Å; L98-L233 HydrophobicContact CD1-CG 4.22Å; L98-I251 HydrophobicContact CD1-CD1 4.44Å; L98-L359 HydrophobicContact CB-CD2 4.24Å; L98-L359 HydrophobicContact CD1-CD2 4.47Å; L98-C362 HydrophobicContact CD2-CB 4.08Å; L98-Y400 VanDerWaalsContact CD2-OH 3.27Å; L98-Y400 WeakPolarHBondContact CD2-OH 3.4Å
99F98.9Very high98.6Very high30 Ų3029.9 Ų29.913%0.13218%0.177CC..Hα-helixtrans-61.6-47.5179-179.1-88.1000111.8S95 T96 A97 R102 Q103 Q254 M256 V396S95-F99 WeakPolarHBondContact O-CB 3.14Å; S95-F99 PolarHBondContact O-N 3.13Å; T96-F99 PolarHBondContact O-N 2.94Å; A97-F99 PolarHBondContact O-N 2.74Å; F99-R102 PolarHBondContact O-N 3.39Å; F99-Q103 HydrophobicContact CD1-CG 4.39Å; F99-Q103 HydrophobicContact CE1-CG 4.11Å; F99-Q103 VanDerWaalsContact CE1-NE2 3.29Å; F99-Q103 HydrophobicContact CZ-CG 4.5Å; F99-Q103 WeakPolarHBondContact O-CG 3.38Å; F99-Q103 PolarHBondContact O-N 3.5Å; F99-Q254 HydrophobicContact CD2-CG 3.96Å; F99-M256 HydrophobicContact CB-CE 3.99Å; F99-M256 HydrophobicContact CD1-CE 3.85Å; F99-M256 HydrophobicContact CD2-CB 3.94Å; F99-M256 HydrophobicContact CD2-CE 4.36Å; F99-M256 HydrophobicContact CE1-CB 4.39Å; F99-M256 HydrophobicContact CE1-CE 4.41Å; F99-M256 HydrophobicContact CE2-CB 3.61Å; F99-M256 HydrophobicContact CG-CB 4.47Å; F99-M256 HydrophobicContact CG-CE 3.83Å; F99-M256 HydrophobicContact CZ-CB 3.87Å; F99-V396 HydrophobicContact CD2-CG1 4.4Å
100M98.9Very high98.6Very high52 Ų5228.2 Ų28.226%0.25617%0.169SC..Hα-helixtrans-62.5-45.6176-173.9178.3-71.300111.3C58 I85 V87 T96 A97 R102 Q103 L104C58-M100 HydrophobicContact CB-CB 4.39Å; C58-M100 HydrophobicContact CB-SD 4.36Å; I85-M100 HydrophobicContact CB-SD 4.25Å; I85-M100 HydrophobicContact CD1-SD 4.14Å; I85-M100 HydrophobicContact CG2-CE 4.37Å; I85-M100 HydrophobicContact CG2-SD 4.06Å; V87-M100 HydrophobicContact CG1-CE 3.45Å; V87-M100 VanDerWaalsContact CG1-CE 3.45Å; V87-M100 HydrophobicContact CG1-SD 3.96Å; T96-M100 PolarHBondContact O-N 3.31Å; A97-M100 PolarHBondContact O-N 2.72Å; M100-R102 VanDerWaalsContact C-N 3.3Å; M100-R102 PolarHBondContact O-N 2.95Å; M100-Q103 PolarHBondContact O-N 3.31Å; M100-Q103 VanDerWaalsContact O-N 3.15Å; M100-L104 WeakPolarHBondContact O-CG 3.19Å; M100-L104 PolarHBondContact O-N 2.82Å; M100-L104 VanDerWaalsContact O-N 3.09Å
101A98.9Very high98.6Very high0 Ų029.2 Ų29.20%017%0.174CC..Hα-helixtrans-59.1-41.8177.500000112.3A97 L98 L104 I105 V113 A115 L233A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.49Å; L98-A101 PolarHBondContact O-N 3.46Å; A101-L104 PolarHBondContact O-N 3.41Å; A101-I105 PolarHBondContact O-N 3.16Å; A101-V113 HydrophobicContact CB-CB 4.4Å; A101-V113 HydrophobicContact CB-CG1 3.58Å; A101-A115 HydrophobicContact CB-CB 3.99Å; A101-L233 HydrophobicContact CB-CD1 3.97Å; A101-L233 HydrophobicContact CB-CD2 4.11Å
102R98.8Very high98.7Very high24 Ų2428 Ų289%0.09117%0.166CC..Hα-helixtrans-63.9-42176.1-176.9-84.1-60.6-166.5-7.1111.7V11 L98 F99 M100 L104 I105 Q106 L233 I251 Q254V11-R102 HydrophobicContact CB-CG 4.09Å; V11-R102 HydrophobicContact CG1-CB 4.42Å; V11-R102 HydrophobicContact CG1-CG 4.01Å; V11-R102 HydrophobicContact CG2-CG 4.06Å; L98-R102 WeakPolarHBondContact O-CB 3.19Å; L98-R102 PolarHBondContact O-N 3.07Å; F99-R102 PolarHBondContact O-N 3.39Å; M100-R102 VanDerWaalsContact C-N 3.3Å; M100-R102 PolarHBondContact O-N 2.95Å; R102-L104 VanDerWaalsContact C-N 3.3Å; R102-L104 PolarHBondContact O-N 3.36Å; R102-I105 PolarHBondContact O-N 2.84Å; R102-Q106 VanDerWaalsContact O-CB 3.24Å; R102-Q106 WeakPolarHBondContact O-CB 3.4Å; R102-Q106 PolarHBondContact O-N 2.82Å; R102-L233 HydrophobicContact CB-CD2 3.98Å; R102-I251 HydrophobicContact CB-CD1 4.26Å; R102-I251 HydrophobicContact CG-CD1 4.05Å; R102-I251 HydrophobicContact CG-CG2 4.24Å; R102-Q254 PolarHBondContact NH2-O 3.48Å
103Q98.8Very high98.7Very high97 Ų9728 Ų2845%0.45317%0.166SC..Hα-helixtrans-61.7-37177.4-75-171.9-37.800112.7F99 M100 G107F99-Q103 HydrophobicContact CD1-CG 4.39Å; F99-Q103 HydrophobicContact CE1-CG 4.11Å; F99-Q103 VanDerWaalsContact CE1-NE2 3.29Å; F99-Q103 HydrophobicContact CZ-CG 4.5Å; F99-Q103 WeakPolarHBondContact O-CG 3.38Å; F99-Q103 PolarHBondContact O-N 3.5Å; M100-Q103 PolarHBondContact O-N 3.31Å; M100-Q103 VanDerWaalsContact O-N 3.15Å; Q103-G107 PolarHBondContact O-N 3.1Å
104L98.8Very high98.7Very high17 Ų1728 Ų289%0.08917%0.166CC..Hα-helixtrans-61.6-48.6176.7-66.6168.1000111.7Q56 M100 A101 R102 G108 L109 V113Q56-L104 HydrophobicContact CB-CD1 4.27Å; Q56-L104 HydrophobicContact CG-CD1 3.78Å; M100-L104 WeakPolarHBondContact O-CG 3.19Å; M100-L104 PolarHBondContact O-N 2.82Å; M100-L104 VanDerWaalsContact O-N 3.09Å; A101-L104 PolarHBondContact O-N 3.41Å; R102-L104 VanDerWaalsContact C-N 3.3Å; R102-L104 PolarHBondContact O-N 3.36Å; L104-G108 PolarHBondContact O-N 2.75Å; L104-L109 HydrophobicContact CD2-CB 4.23Å; L104-L109 HydrophobicContact CD2-CD1 3.88Å; L104-L109 WeakPolarHBondContact O-CB 3.15Å; L104-L109 PolarHBondContact O-N 2.93Å; L104-V113 HydrophobicContact CB-CG2 4.16Å; L104-V113 HydrophobicContact CD1-CG1 3.98Å; L104-V113 HydrophobicContact CD1-CG2 4.25Å
105I98.8Very high98.7Very high0 Ų028 Ų280%017%0.166CC..Hα-helixtrans-66.4-47.8177.2-54.4-58.9000111V11 A101 R102 G107 G108 A110 V113 L233V11-I105 HydrophobicContact CB-CB 4.45Å; V11-I105 HydrophobicContact CB-CG2 4.27Å; V11-I105 HydrophobicContact CG1-CB 3.88Å; V11-I105 HydrophobicContact CG1-CG1 4.14Å; V11-I105 HydrophobicContact CG1-CG2 4Å; V11-I105 HydrophobicContact CG2-CB 3.86Å; V11-I105 HydrophobicContact CG2-CG2 3.8Å; A101-I105 PolarHBondContact O-N 3.16Å; R102-I105 PolarHBondContact O-N 2.84Å; I105-G107 PolarHBondContact O-N 3.25Å; I105-G108 PolarHBondContact O-N 3.37Å; I105-A110 HydrophobicContact CD1-CB 4.37Å; I105-A110 WeakPolarHBondContact CD1-O 3.34Å; I105-V113 HydrophobicContact CD1-CB 4.13Å; I105-V113 HydrophobicContact CD1-CG2 3.6Å; I105-V113 HydrophobicContact CG1-CG2 4.32Å; I105-L233 HydrophobicContact CG1-CB 4.22Å
106Q98.3Very high98.7Very high42 Ų4228 Ų2820%0.19617%0.166CC..Hα-helixtrans-62.1-34.8-177.4-175.7171.7-7.700112.4K8 V11 R102 G108K8-Q106 HydrophobicContact CB-CG 4.11Å; K8-Q106 HydrophobicContact CG-CG 4.43Å; V11-Q106 HydrophobicContact CG2-CB 3.8Å; R102-Q106 VanDerWaalsContact O-CB 3.24Å; R102-Q106 WeakPolarHBondContact O-CB 3.4Å; R102-Q106 PolarHBondContact O-N 2.82Å; Q106-G108 VanDerWaalsContact C-N 3.27Å
107G97.9Very high98.7Very high55 Ų5527.3 Ų27.357%0.56716%0.162SC*.THydrogen-bonded Turntrans-78.4-5.8175.400000114.3Q103 I105 L109Q103-G107 PolarHBondContact O-N 3.1Å; I105-G107 PolarHBondContact O-N 3.25Å; G107-L109 VanDerWaalsContact C-N 3.3Å
108G97.4Very high98.7Very high48 Ų4827.4 Ų27.450%0.49516%0.162SC..THydrogen-bonded Turntrans69.326-176.600000113.6L104 I105 Q106L104-G108 PolarHBondContact O-N 2.75Å; I105-G108 PolarHBondContact O-N 3.37Å; Q106-G108 VanDerWaalsContact C-N 3.27Å
109L98.3Very high98.7Very high130 Ų13027.4 Ų27.468%0.68116%0.162SC*.SBendtrans-85.6-22.3178.7-64.3175.1000112.8L104 G107L104-L109 HydrophobicContact CD2-CB 4.23Å; L104-L109 HydrophobicContact CD2-CD1 3.88Å; L104-L109 WeakPolarHBondContact O-CB 3.15Å; L104-L109 PolarHBondContact O-N 2.93Å; G107-L109 VanDerWaalsContact C-N 3.3Å
110A98.5Very high98.6Very high5 Ų530.3 Ų30.34%0.04118%0.175CC..  trans-152.5154.4175.700000109.7E55 I105 V113E55-A110 HydrophobicContact CB-CB 4.01Å; E55-A110 VanDerWaalsContact OE2-CA 3.28Å; E55-A110 WeakPolarHBondContact OE2-CA 3.3Å; I105-A110 HydrophobicContact CD1-CB 4.37Å; I105-A110 WeakPolarHBondContact CD1-O 3.34Å; A110-V113 HydrophobicContact CB-CG2 3.49Å; A110-V113 VanDerWaalsContact CB-CG2 3.49Å
111D98.7Very high98.4Very high74 Ų7428.6 Ų28.640%0.39617%0.166SC..SBendtrans-98.3-22.9174.3-82.1-46.9000112.9E55 A234 S235 F238E55-D111 WeakPolarHBondContact OE1-CA 3.36Å; E55-D111 WeakPolarHBondContact OE1-CB 3.46Å; E55-D111 PolarHBondContact OE1-N 2.66Å; E55-D111 PolarHBondContact OE2-N 3.4Å; E55-D111 VanDerWaalsContact OE2-N 3.15Å; D111-A234 CarbonylContact O-C 3.57Å; D111-A234 WeakPolarHBondContact O-CA 3.2Å; D111-S235 PolarHBondContact O-N 3.3Å; D111-S235 WeakPolarHBondContact OD1-CB 3.35Å; D111-S235 PolarHBondContact OD1-OG 3.36Å; D111-F238 HydrophobicContact CB-CB 4.29Å; D111-F238 HydrophobicContact CB-CD2 4.17Å
112C98.9Very high98.1Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-143.3124.5174.8-165.60000113.2I49 A53 E55 L233 F238I49-C112 WeakPolarHBondContact CD1-SG 3.39Å; A53-C112 WeakPolarHBondContact O-CB 3.44Å; E55-C112 PolarHBondContact N-O 2.91Å; E55-C112 PolarHBondContact OE1-N 3.05Å; C112-L233 CarbonylContact C-O 3.41Å; C112-L233 WeakPolarHBondContact CA-O 3.24Å; C112-F238 HydrophobicContact CB-CD2 3.85Å; C112-F238 HydrophobicContact CB-CE1 4.38Å; C112-F238 HydrophobicContact CB-CE2 3.56Å; C112-F238 HydrophobicContact CB-CG 4.37Å; C112-F238 HydrophobicContact CB-CZ 3.86Å
113V98.9Very high97.6Very high0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-134141.6-172.5176.40000111.1Q56 A101 L104 I105 A110 L233Q56-V113 HydrophobicContact CB-CG2 4.32Å; Q56-V113 WeakPolarHBondContact O-CA 3.41Å; Q56-V113 WeakPolarHBondContact O-CG1 3.34Å; A101-V113 HydrophobicContact CB-CB 4.4Å; A101-V113 HydrophobicContact CB-CG1 3.58Å; L104-V113 HydrophobicContact CB-CG2 4.16Å; L104-V113 HydrophobicContact CD1-CG1 3.98Å; L104-V113 HydrophobicContact CD1-CG2 4.25Å; I105-V113 HydrophobicContact CD1-CB 4.13Å; I105-V113 HydrophobicContact CD1-CG2 3.6Å; I105-V113 HydrophobicContact CG1-CG2 4.32Å; A110-V113 HydrophobicContact CB-CG2 3.49Å; A110-V113 VanDerWaalsContact CB-CG2 3.49Å; V113-L233 PolarHBondContact N-O 3.27Å; V113-L233 PolarHBondContact O-N 2.91Å
114L98.9Very high97.1Very high0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-97122.9173.5178.464.9000110.7Y51 I54 Q56 A57 C58 L77 L116 A230 V232Y51-L114 HydrophobicContact CE2-CD2 4.21Å; I54-L114 HydrophobicContact CD1-CB 4.23Å; I54-L114 HydrophobicContact CG1-CB 4.36Å; I54-L114 HydrophobicContact CG2-CB 3.78Å; Q56-L114 PolarHBondContact O-N 2.71Å; A57-L114 CarbonylContact C-O 3.57Å; A57-L114 VanDerWaalsContact CA-O 3.3Å; A57-L114 WeakPolarHBondContact CA-O 3.48Å; A57-L114 HydrophobicContact CB-CB 4.27Å; C58-L114 PolarHBondContact N-O 2.92Å; L77-L114 HydrophobicContact CD1-CD2 3.79Å; L114-L116 HydrophobicContact CD2-CB 4.43Å; L114-L116 HydrophobicContact CG-CB 4.31Å; L114-A230 HydrophobicContact CD1-CB 4.31Å; L114-V232 HydrophobicContact CD1-CG2 4.31Å
115A98.9Very high96.5Very high0 Ų041 Ų410%024%0.237CC..EExtended strand (participates in β ladder)trans-99120160.600000108.6C58 A97 L98 A101 A230 A231 L233 L359C58-A115 WeakPolarHBondContact O-CA 3.4Å; A97-A115 HydrophobicContact CB-CB 4.48Å; L98-A115 HydrophobicContact CD1-CB 4.47Å; A101-A115 HydrophobicContact CB-CB 3.99Å; A115-A230 CarbonylContact O-C 3.56Å; A115-A230 VanDerWaalsContact O-CA 3.24Å; A115-A230 WeakPolarHBondContact O-CA 3.29Å; A115-A231 PolarHBondContact N-O 3.04Å; A115-A231 PolarHBondContact O-N 3.11Å; A115-L233 HydrophobicContact CB-CD1 4.05Å; A115-L359 HydrophobicContact CB-CD2 3.84Å
116L99Very high96Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-125.3144-179.4173.367.4000108.8A36 C58 V59 G60 I73 L114 A230A36-L116 HydrophobicContact CB-CD1 4.3Å; A36-L116 HydrophobicContact CB-CD2 3.97Å; C58-L116 PolarHBondContact O-N 3.32Å; V59-L116 CarbonylContact C-O 3.48Å; V59-L116 VanDerWaalsContact CA-O 3.24Å; V59-L116 WeakPolarHBondContact CA-O 3.2Å; V59-L116 HydrophobicContact CG1-CB 4.34Å; V59-L116 HydrophobicContact CG1-CD2 4.09Å; V59-L116 HydrophobicContact CG1-CG 4.21Å; V59-L116 HydrophobicContact CG2-CB 4.43Å; V59-L116 HydrophobicContact CG2-CD2 4.48Å; G60-L116 PolarHBondContact N-O 2.99Å; I73-L116 HydrophobicContact CD1-CD2 4.15Å; I73-L116 HydrophobicContact CG1-CD2 3.88Å; L114-L116 HydrophobicContact CD2-CB 4.43Å; L114-L116 HydrophobicContact CG-CB 4.31Å; L116-A230 HydrophobicContact CD1-CB 3.89Å
117G98.9Very high95.3Very high0 Ų046.6 Ų46.60%027%0.272CS..EExtended strand (participates in β ladder)trans-152.1143.1173.600000111.6G60 A228 G229 G355 A356G60-G117 CarbonylContact O-C 3.55Å; G60-G117 WeakPolarHBondContact O-CA 3.44Å; G117-A228 CarbonylContact O-C 3.48Å; G117-A228 WeakPolarHBondContact O-CA 3.35Å; G117-A228 WeakPolarHBondContact O-CB 3.3Å; G117-G229 PolarHBondContact N-O 2.8Å; G117-G229 PolarHBondContact O-N 3.47Å; G117-G229 VanDerWaalsContact O-O 3.09Å; G117-G355 WeakPolarHBondContact CA-O 3.43Å; G117-A356 WeakPolarHBondContact O-CB 3.38Å
118F98.9Very high94.8Very high2 Ų246.6 Ų46.61%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-147.6159.1-176.757.9-102.2000110.4Y32 A36 V59 G60 Y61 C68 A72 G227 A228Y32-F118 HydrophobicContact CD2-CD2 4.26Å; Y32-F118 HydrophobicContact CD2-CE1 4.46Å; Y32-F118 AromaticContact CD2-CE2 3.62Å; Y32-F118 HydrophobicContact CD2-CE2 3.62Å; Y32-F118 AromaticContact CD2-CZ 3.74Å; Y32-F118 HydrophobicContact CD2-CZ 3.74Å; Y32-F118 HydrophobicContact CE2-CE2 4.5Å; Y32-F118 HydrophobicContact CE2-CZ 4.37Å; Y32-F118 HydrophobicContact CG-CD2 4.3Å; Y32-F118 AromaticContact CG-CE2 3.94Å; Y32-F118 HydrophobicContact CG-CE2 3.94Å; A36-F118 HydrophobicContact CB-CD1 4.04Å; V59-F118 HydrophobicContact CG1-CD1 4.29Å; V59-F118 HydrophobicContact CG1-CE1 3.66Å; V59-F118 HydrophobicContact CG1-CZ 4.47Å; G60-F118 PolarHBondContact O-N 2.98Å; Y61-F118 WeakPolarHBondContact CB-O 3.41Å; Y61-F118 HydrophobicContact CD1-CE1 4.42Å; Y61-F118 HydrophobicContact CD1-CE2 4.17Å; Y61-F118 AromaticContact CD1-CZ 3.76Å; Y61-F118 HydrophobicContact CD1-CZ 3.76Å; Y61-F118 HydrophobicContact CE1-CZ 4.49Å; Y61-F118 AromaticContact CG-CE2 3.86Å; Y61-F118 HydrophobicContact CG-CE2 3.86Å; Y61-F118 AromaticContact CG-CZ 3.96Å; Y61-F118 HydrophobicContact CG-CZ 3.96Å; C68-F118 HydrophobicContact CB-CE2 4.33Å; C68-F118 HydrophobicContact CB-CZ 3.98Å; A72-F118 HydrophobicContact CB-CD1 4.34Å; A72-F118 HydrophobicContact CB-CE1 3.61Å; A72-F118 HydrophobicContact CB-CZ 4.08Å; F118-G227 CarbonylContact C-O 3.49Å; F118-G227 VanDerWaalsContact CA-O 3.31Å; F118-G227 WeakPolarHBondContact CA-O 3.49Å; F118-A228 HydrophobicContact CB-CB 3.75Å
119E98.4Very high94.4Very high0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-145.6137.8168.3-15166.2-113.200109.8M35 V62 Y63 M121 D226 G227 P353 L354 G355M35-E119 WeakPolarHBondContact CE-O 3.35Å; V62-E119 PolarHBondContact N-OE1 3.49Å; V62-E119 PolarHBondContact N-OE2 3.35Å; Y63-E119 WeakPolarHBondContact CB-OE1 3.46Å; Y63-E119 HydrophobicContact CD2-CG 4.43Å; Y63-E119 PolarHBondContact N-OE1 2.98Å; E119-M121 HydrophobicContact CB-CG 4.17Å; E119-M121 HydrophobicContact CG-CG 3.54Å; E119-M121 HydrophobicContact CG-SD 4.21Å; E119-D226 WeakPolarHBondContact O-CA 3.24Å; E119-G227 PolarHBondContact N-O 2.95Å; E119-G227 PolarHBondContact O-N 2.94Å; E119-G227 VanDerWaalsContact O-N 3.1Å; E119-P353 HydrophobicContact CB-CB 3.63Å; E119-L354 HydrophobicContact CG-CB 4.23Å; E119-L354 HydrophobicContact CG-CG 4.3Å; E119-L354 WeakPolarHBondContact OE2-CB 3.29Å; E119-G355 PolarHBondContact OE2-N 2.84Å
120K97Very high94.1Very high90 Ų9050 Ų5039%0.39126%0.256SS..  trans-116.1112.5163.8-179168.8172.1174.20107.5D31 M35 D226D31-K120 WeakPolarHBondContact OD1-CD 3.48Å; D31-K120 WeakPolarHBondContact OD1-CE 3.43Å; D31-K120 IonicContact OD1-NZ 3.66Å; D31-K120 PolarHBondContact OD1-NZ 3.24Å; D31-K120 IonicContact OD2-NZ 3.88Å; D31-K120 PolarHBondContact OD2-NZ 3.34Å; M35-K120 HydrophobicContact CE-CB 3.84Å; M35-K120 HydrophobicContact CE-CG 4.47Å; K120-D226 WeakPolarHBondContact CA-OD1 3.33Å
121M95.3Very high94Very high17 Ų1757.2 Ų57.28%0.08429%0.29CS..  trans-106.6170.6-169.8-61-172.382.900111.6P24 E119 L126 T224 S225 D226 H352 L354P24-M121 WeakPolarHBondContact CB-O 3.07Å; P24-M121 HydrophobicContact CG-CB 4.08Å; E119-M121 HydrophobicContact CB-CG 4.17Å; E119-M121 HydrophobicContact CG-CG 3.54Å; E119-M121 HydrophobicContact CG-SD 4.21Å; M121-L126 HydrophobicContact CE-CD2 3.26Å; M121-L126 HydrophobicContact CE-CG 4.36Å; M121-T224 HydrophobicContact CE-CG2 3.76Å; M121-T224 HydrophobicContact SD-CG2 4.34Å; M121-S225 WeakPolarHBondContact CG-O 3.44Å; M121-D226 PolarHBondContact N-OD1 3.05Å; M121-H352 VanDerWaalsContact SD-O 3.34Å; M121-L354 HydrophobicContact CE-CD1 4.24Å; M121-L354 HydrophobicContact CE-CD2 4.1Å; M121-L354 HydrophobicContact CE-CG 3.91Å; M121-L354 HydrophobicContact SD-CG 4.49Å
122E92.3Very high93.9Very high122 Ų12259.2 Ų59.257%0.5730%0.301SS*.  trans-95.9157.9167.2-71.2172.5-179.200110.2K129 T224E122-K129 IonicContact OE1-NZ 3.83Å; E122-K129 PolarHBondContact OE1-NZ 3.13Å; E122-K129 IonicContact OE2-NZ 3.04Å; E122-K129 PolarHBondContact OE2-NZ 3.45Å; E122-T224 PolarHBondContact O-OG1 3.07Å
123R89.6Confident93.8Very high160 Ų16067 Ų6760%0.60433%0.33SS*.SBendtrans-70.9134172.4-67.1-177.8176.61752.9110P24P24-R123 HydrophobicContact CB-CG 4Å; P24-R123 PolarHBondContact O-NE 2.87Å; P24-R123 PolarHBondContact O-NH2 3.15Å
124G87.5Confident93.7Very high45 Ų4572.2 Ų72.246%0.46436%0.362SS..SBendtrans110-162.8173.800000111.5T224G124-T224 WeakPolarHBondContact O-CG2 3.3Å
125S85.9Confident93.6Very high70 Ų7074.4 Ų74.449%0.4937%0.374SS..SBendtrans-77.5152.5179.5-60.50000111.8P154S125-P154 WeakPolarHBondContact OG-CB 3.27Å; S125-P154 WeakPolarHBondContact OG-CG 3.27Å
126L88.2Confident93.5Very high81 Ų8179 Ų7942%0.42440%0.404SS..  trans-57.6137.9173.8-64.2-179.7000111.2Y63 M121 L354Y63-L126 HydrophobicContact CE2-CD2 3.98Å; M121-L126 HydrophobicContact CE-CD2 3.26Å; M121-L126 HydrophobicContact CE-CG 4.36Å; L126-L354 HydrophobicContact CD1-CD1 4.3Å; L126-L354 HydrophobicContact CD1-CD2 4.29Å; L126-L354 HydrophobicContact CD2-CD1 4.44Å
127T84.3Confident93.5Very high80 Ų8080.7 Ų80.749%0.49141%0.412SS..  trans-126.6152.5176.855.10000110.4
128S86.2Confident93.4Very high54 Ų5483.7 Ų83.738%0.37843%0.428SS..  trans-70.5132.5171.4-168.90000109.6Y130S128-Y130 PolarHBondContact OG-O 3.08Å; S128-Y130 VanDerWaalsContact OG-O 3.05Å
129K89.1Confident93.3Very high102 Ų10288.8 Ų88.844%0.44345%0.45SS..SBendtrans-93-31.7176.4-63.9-68.2175.7-178.10112.4Y63 E122Y63-K129 HydrophobicContact CE1-CG 4.26Å; E122-K129 IonicContact OE1-NZ 3.83Å; E122-K129 PolarHBondContact OE1-NZ 3.13Å; E122-K129 IonicContact OE2-NZ 3.04Å; E122-K129 PolarHBondContact OE2-NZ 3.45Å
130Y93.4Very high93.3Very high149 Ų14988.9 Ų88.958%0.58445%0.451SS*.  trans-103.1119.4179.1-56.7-70.8000109.8S128S128-Y130 PolarHBondContact OG-O 3.08Å; S128-Y130 VanDerWaalsContact OG-O 3.05Å
131M95.5Very high93.3Very high156 Ų15687.1 Ų87.177%0.76845%0.445SS*.  trans-116.51.8-177.5-57.9-57.4-67.100112.7
132D96.5Very high93.5Very high116 Ų11690.1 Ų90.162%0.6246%0.459SS*.SBendtrans-99.38-174.868.9-31.8000113.4
133R96.5Very high93.8Very high162 Ų16284.9 Ų84.961%0.61144%0.435SS*.SBendtrans-153.5171.1-173.965.8-163.766.1-148.5-7111.7N135R133-N135 PolarHBondContact O-N 3.38Å
134T97.7Very high94.2Very high110 Ų11077.2 Ų77.268%0.67541%0.406SS*.  trans-55127.5174.5-52.10000110.9D138T134-D138 WeakPolarHBondContact CG2-OD2 3.35Å
135N96.9Very high94.7Very high46 Ų4678.4 Ų78.425%0.24640%0.401CS..  trans-80.2125.4175.4-174.3-44.2000108.9R133 M137 D138R133-N135 PolarHBondContact O-N 3.38Å; N135-M137 PolarHBondContact O-N 3Å; N135-M137 WeakPolarHBondContact OD1-CB 3.34Å; N135-M137 PolarHBondContact OD1-N 3.42Å; N135-D138 HydrophobicContact CB-CB 4.39Å; N135-D138 WeakPolarHBondContact O-CB 3.49Å; N135-D138 PolarHBondContact O-N 2.83Å
136P97.1Very high95.2Very high97 Ų9780.6 Ų80.663%0.6341%0.407SS*.THydrogen-bonded Turntrans-60.7-17-178.2-23.934.1000115
137M97.4Very high95.7Very high35 Ų3580.2 Ų80.217%0.17240%0.4CS..THydrogen-bonded Turntrans-94.7-2.5178.3-58-62.78600113.4N135 K139 H140 M141 L391 G392N135-M137 PolarHBondContact O-N 3Å; N135-M137 WeakPolarHBondContact OD1-CB 3.34Å; N135-M137 PolarHBondContact OD1-N 3.42Å; M137-K139 PolarHBondContact O-N 2.92Å; M137-H140 PolarHBondContact O-N 2.82Å; M137-M141 HydrophobicContact CB-CG 4.49Å; M137-M141 WeakPolarHBondContact O-CB 3.27Å; M137-M141 WeakPolarHBondContact O-CG 3.43Å; M137-M141 PolarHBondContact O-N 2.83Å; M137-L391 HydrophobicContact SD-CB 3.82Å; M137-G392 VanDerWaalsContact CE-N 3.31Å
138D96.8Very high96.4Very high64 Ų6478.6 Ų78.634%0.34239%0.385SS..Hα-helixtrans-58.3-45.3-17164.4-10000112.7T134 N135 M141 E142T134-D138 WeakPolarHBondContact CG2-OD2 3.35Å; N135-D138 HydrophobicContact CB-CB 4.39Å; N135-D138 WeakPolarHBondContact O-CB 3.49Å; N135-D138 PolarHBondContact O-N 2.83Å; D138-M141 PolarHBondContact O-N 2.87Å; D138-E142 WeakPolarHBondContact O-CB 3.25Å; D138-E142 PolarHBondContact O-N 3.33Å
139K98.2Very high96.9Very high108 Ų10877.6 Ų77.647%0.4738%0.383SS..Hα-helixtrans-72.7-32.7178.3-64.4-53.3-179.4177.90113.9M137 E142 V143 F264M137-K139 PolarHBondContact O-N 2.92Å; K139-E142 WeakPolarHBondContact CD-OE2 3.38Å; K139-E142 IonicContact NZ-OE2 2.75Å; K139-E142 PolarHBondContact NZ-OE2 3.07Å; K139-E142 PolarHBondContact O-N 2.67Å; K139-V143 PolarHBondContact O-N 3.46Å; K139-F264 HydrophobicContact CB-CD1 4.1Å; K139-F264 HydrophobicContact CB-CE1 3.89Å
140H98.4Very high97.2Very high3 Ų377.7 Ų77.71%0.01439%0.386CS..Hα-helixtrans-65.9-43.2170.3-68.379.7000110.9M137 V143 M159 D259 F264 M272 G392M137-H140 PolarHBondContact O-N 2.82Å; H140-V143 PolarHBondContact O-N 2.94Å; H140-M159 HydrophobicContact CB-CE 3.81Å; H140-D259 IonicContact CD2-OD1 2.75Å; H140-D259 IonicContact CE1-OD1 3.35Å; H140-D259 IonicContact CE1-OD2 2.73Å; H140-D259 IonicContact NE2-OD1 2.84Å; H140-D259 PolarHBondContact NE2-OD1 3.36Å; H140-D259 IonicContact NE2-OD2 3.49Å; H140-D259 PolarHBondContact NE2-OD2 2.79Å; H140-F264 AromaticContact CE1-CE1 3.64Å; H140-F264 AromaticContact CE1-CZ 3.47Å; H140-F264 VanDerWaalsContact CE1-CZ 3.47Å; H140-F264 WeakPolarHBondContact CE1-CZ 3.32Å; H140-F264 AromaticContact CG-CE1 3.96Å; H140-F264 AromaticContact ND1-CE1 3.68Å; H140-F264 AromaticContact ND1-CZ 3.96Å; H140-F264 AromaticContact NE2-CE1 3.91Å; H140-F264 AromaticContact NE2-CZ 3.78Å; H140-M272 HydrophobicContact CB-CG 4.07Å; H140-M272 HydrophobicContact CB-SD 3.87Å; H140-M272 PolarHBondContact CD2-O 3.26Å; H140-M272 WeakPolarHBondContact O-CG 3.32Å; H140-G392 PolarHBondContact CE1-O 3Å
141M97.2Very high97.3Very high53 Ų5372.7 Ų72.726%0.26138%0.376SS..Hα-helixtrans-65.9-37.4176.1-72.5-161-63.300112.3M137 D138 V143 M144 I145 M159M137-M141 HydrophobicContact CB-CG 4.49Å; M137-M141 WeakPolarHBondContact O-CB 3.27Å; M137-M141 WeakPolarHBondContact O-CG 3.43Å; M137-M141 PolarHBondContact O-N 2.83Å; D138-M141 PolarHBondContact O-N 2.87Å; M141-V143 VanDerWaalsContact C-N 3.29Å; M141-V143 PolarHBondContact O-N 3.31Å; M141-M144 WeakPolarHBondContact O-CB 3.38Å; M141-M144 PolarHBondContact O-N 2.9Å; M141-M144 VanDerWaalsContact O-N 3.11Å; M141-I145 HydrophobicContact CB-CD1 4.28Å; M141-I145 WeakPolarHBondContact O-CB 3.48Å; M141-I145 VanDerWaalsContact O-CG1 3.24Å; M141-I145 WeakPolarHBondContact O-CG1 3.36Å; M141-I145 PolarHBondContact O-N 2.89Å; M141-M159 HydrophobicContact CG-SD 4.43Å
142E98.3Very high97.2Very high80 Ų8070.9 Ų70.937%0.37439%0.386SS..Hα-helixtrans-55.3-42.9177.8-176.8174.4-178.300112D138 K139 M144 I145 N146D138-E142 WeakPolarHBondContact O-CB 3.25Å; D138-E142 PolarHBondContact O-N 3.33Å; K139-E142 WeakPolarHBondContact CD-OE2 3.38Å; K139-E142 IonicContact NZ-OE2 2.75Å; K139-E142 PolarHBondContact NZ-OE2 3.07Å; K139-E142 PolarHBondContact O-N 2.67Å; E142-M144 PolarHBondContact O-N 3.41Å; E142-I145 PolarHBondContact O-N 3.2Å; E142-N146 WeakPolarHBondContact CG-ND2 3.34Å; E142-N146 VanDerWaalsContact O-CB 3.32Å; E142-N146 WeakPolarHBondContact O-CB 3.3Å; E142-N146 PolarHBondContact O-N 3.15Å; E142-N146 PolarHBondContact O-ND2 3.35Å
143V98.5Very high97Very high11 Ų1166.5 Ų66.57%0.06737%0.366CS..Hα-helixtrans-59.5-47.3175.8177.40000111.4K139 H140 M141 R147 F264 M272K139-V143 PolarHBondContact O-N 3.46Å; H140-V143 PolarHBondContact O-N 2.94Å; M141-V143 VanDerWaalsContact C-N 3.29Å; M141-V143 PolarHBondContact O-N 3.31Å; V143-R147 PolarHBondContact O-N 2.76Å; V143-F264 HydrophobicContact CG2-CD1 4.35Å; V143-M272 HydrophobicContact CB-CB 4.39Å; V143-M272 HydrophobicContact CB-CG 4.1Å; V143-M272 HydrophobicContact CG1-CB 4.07Å; V143-M272 HydrophobicContact CG1-CG 4.33Å
144M98.1Very high96.9Very high0 Ų061.1 Ų61.10%035%0.352CS..Hα-helixtrans-62.6-46.8178.8-176.5-162.171.500111.5M141 E142 R147 Y148 M150 Q158 M159 N162 M272M141-M144 WeakPolarHBondContact O-CB 3.38Å; M141-M144 PolarHBondContact O-N 2.9Å; M141-M144 VanDerWaalsContact O-N 3.11Å; E142-M144 PolarHBondContact O-N 3.41Å; M144-R147 PolarHBondContact O-N 2.73Å; M144-Y148 PolarHBondContact O-N 3.36Å; M144-M150 HydrophobicContact CE-SD 3.68Å; M144-Q158 HydrophobicContact CE-CB 4.02Å; M144-Q158 HydrophobicContact SD-CB 3.51Å; M144-Q158 VanDerWaalsContact SD-CB 3.51Å; M144-M159 HydrophobicContact SD-CB 4.28Å; M144-M159 HydrophobicContact SD-CG 3.7Å; M144-M159 PolarHBondContact SD-N 3.2Å; M144-M159 VanDerWaalsContact SD-N 3.39Å; M144-N162 HydrophobicContact CG-CB 4.31Å; M144-N162 WeakPolarHBondContact CG-ND2 3.36Å; M144-M272 HydrophobicContact CB-CE 4.03Å
145I98Very high96.8Very high70 Ų7057 Ų5736%0.35933%0.331SS..Hα-helixtrans-64.8-43.9-177-67.2168.2000110.4M141 E142 R147 G149 M150M141-I145 HydrophobicContact CB-CD1 4.28Å; M141-I145 WeakPolarHBondContact O-CB 3.48Å; M141-I145 VanDerWaalsContact O-CG1 3.24Å; M141-I145 WeakPolarHBondContact O-CG1 3.36Å; M141-I145 PolarHBondContact O-N 2.89Å; E142-I145 PolarHBondContact O-N 3.2Å; I145-R147 VanDerWaalsContact C-N 3.27Å; I145-R147 PolarHBondContact O-N 3Å; I145-G149 WeakPolarHBondContact O-CA 3.38Å; I145-G149 PolarHBondContact O-N 2.75Å; I145-M150 HydrophobicContact CG1-CB 4.25Å; I145-M150 HydrophobicContact CG1-SD 4.41Å
146N97.8Very high96.8Very high116 Ų11656.7 Ų56.762%0.6234%0.335SS*.Hα-helixtrans-64.2-32.6179.1-72.9-20.4000112.4E142E142-N146 WeakPolarHBondContact CG-ND2 3.34Å; E142-N146 VanDerWaalsContact O-CB 3.32Å; E142-N146 WeakPolarHBondContact O-CB 3.3Å; E142-N146 PolarHBondContact O-N 3.15Å; E142-N146 PolarHBondContact O-ND2 3.35Å
147R97.9Very high96.8Very high73 Ų7352.4 Ų52.428%0.27531%0.307SS..Hα-helixtrans-83.1-46.5179.7-169.7171.2171.2124.32.6113.8V143 M144 I145 E166 E169 N267V143-R147 PolarHBondContact O-N 2.76Å; M144-R147 PolarHBondContact O-N 2.73Å; I145-R147 VanDerWaalsContact C-N 3.27Å; I145-R147 PolarHBondContact O-N 3Å; R147-E166 IonicContact NH1-OE1 3.62Å; R147-E169 IonicContact NH2-OE2 2.75Å; R147-E169 PolarHBondContact NH2-OE2 2.91Å; R147-N267 WeakPolarHBondContact CB-OD1 3.45Å; R147-N267 WeakPolarHBondContact CD-O 3.42Å; R147-N267 PolarHBondContact NH1-O 3.34Å
148Y98.1Very high96.8Very high46 Ų4650.8 Ų50.818%0.1830%0.299CS..Hα-helixtrans-1261.1-167.1-69.2-63.8000114.5M144 N162 E169 C269M144-Y148 PolarHBondContact O-N 3.36Å; Y148-N162 HydrophobicContact CD2-CB 3.6Å; Y148-N162 HydrophobicContact CE2-CB 4Å; Y148-N162 HydrophobicContact CG-CB 4.35Å; Y148-E169 VanDerWaalsContact CE1-OE1 3.24Å; Y148-E169 WeakPolarHBondContact CE1-OE1 3.36Å; Y148-E169 PolarHBondContact OH-OE1 3.42Å; Y148-E169 PolarHBondContact OH-OE2 2.75Å; Y148-C269 HydrophobicContact CE2-CB 4.46Å
149G97.4Very high96.9Very high32 Ų3248.2 Ų48.233%0.3329%0.285SS..  trans73.2-173.7-172.900000113I145I145-G149 WeakPolarHBondContact O-CA 3.38Å; I145-G149 PolarHBondContact O-N 2.75Å
150M96.1Very high96.9Very high104 Ų10443.6 Ų43.651%0.51227%0.265SS..  trans-118.5124.5175.9-171.764.9-179.200109.4M144 I145 Q158M144-M150 HydrophobicContact CE-SD 3.68Å; I145-M150 HydrophobicContact CG1-CB 4.25Å; I145-M150 HydrophobicContact CG1-SD 4.41Å; M150-Q158 VanDerWaalsContact CE-NE2 3.3Å
151A95.5Very high96.9Very high44 Ų4443.5 Ų43.536%0.36427%0.265SS..  trans-93.9162.9172.600000111.4A153 Q158 F213A151-A153 PolarHBondContact O-N 3.33Å; A151-Q158 PolarHBondContact O-NE2 2.82Å; A151-F213 HydrophobicContact CB-CD2 4.3Å; A151-F213 HydrophobicContact CB-CE2 3.88Å
152A93.4Very high97Very high119 Ų11941 Ų4198%0.98325%0.252SS*.SBendtrans-75.859.1171.300000111.7
153A92.8Very high97Very high24 Ų2437.2 Ų37.220%0.19824%0.235CC..SBendtrans-138162.8177.900000110A151 Q158 F213A151-A153 PolarHBondContact O-N 3.33Å; A153-Q158 HydrophobicContact CB-CG 4.19Å; A153-Q158 PolarHBondContact O-NE2 3.14Å; A153-F213 HydrophobicContact CB-CD2 4.3Å
154P93.6Very high97.1Very high49 Ų4936.7 Ų36.732%0.31823%0.231SC..  trans-59.5146.1176.7-21.332.6000112.2S125 A156 P157 Q158S125-P154 WeakPolarHBondContact OG-CB 3.27Å; S125-P154 WeakPolarHBondContact OG-CG 3.27Å; P154-A156 PolarHBondContact O-N 3.43Å; P154-P157 HydrophobicContact CB-CG 4.09Å; P154-P157 VanDerWaalsContact O-CD 3.31Å; P154-P157 WeakPolarHBondContact O-CD 3.5Å; P154-Q158 WeakPolarHBondContact O-CG 3.28Å; P154-Q158 PolarHBondContact O-N 3Å
155G95.3Very high97.1Very high23 Ų2339.5 Ų39.524%0.23724%0.242CC..Hα-helixtrans-62.5-45.1-172.400000114.5Q158 M159G155-Q158 WeakPolarHBondContact O-CA 3.25Å; G155-Q158 WeakPolarHBondContact O-CB 3.3Å; G155-Q158 PolarHBondContact O-N 2.97Å; G155-M159 WeakPolarHBondContact O-CG 3.37Å; G155-M159 PolarHBondContact O-N 2.75Å
156A95.9Very high97.1Very high40 Ų4036.1 Ų36.133%0.33123%0.225SC..Hα-helixtrans-60-49.3-177.700000113.7P154 Q158 M159 F160 F305P154-A156 PolarHBondContact O-N 3.43Å; A156-Q158 PolarHBondContact O-N 2.94Å; A156-M159 PolarHBondContact O-N 3.34Å; A156-M159 VanDerWaalsContact O-N 3.15Å; A156-F160 WeakPolarHBondContact O-CD2 3.39Å; A156-F160 PolarHBondContact O-N 2.8Å; A156-F305 HydrophobicContact CB-CE2 4.08Å; A156-F305 HydrophobicContact CB-CZ 4.1Å
157P97.3Very high97.2Very high7 Ų730.7 Ų30.75%0.04520%0.196CC..Hα-helixtrans-54.7-34.8171.2-2428.5000113.9P154 G161 V212 F213 F305P154-P157 HydrophobicContact CB-CG 4.09Å; P154-P157 VanDerWaalsContact O-CD 3.31Å; P154-P157 WeakPolarHBondContact O-CD 3.5Å; P157-G161 WeakPolarHBondContact O-CA 3.44Å; P157-G161 PolarHBondContact O-N 2.73Å; P157-V212 HydrophobicContact CB-CG1 3.8Å; P157-V212 HydrophobicContact CG-CG1 3.83Å; P157-F213 HydrophobicContact CB-CB 4.17Å; P157-F213 WeakPolarHBondContact O-CD1 3.23Å; P157-F305 HydrophobicContact CB-CE1 3.92Å; P157-F305 HydrophobicContact CB-CZ 4.23Å; P157-F305 HydrophobicContact CG-CE1 3.73Å; P157-F305 HydrophobicContact CG-CZ 3.8Å
158Q98.3Very high97.2Very high1 Ų129 Ų291%0.00519%0.192CC..Hα-helixtrans-68.6-44.8176.6-63.3-169.463.200111.8M144 M150 A151 A153 P154 G155 A156 N162 F213M144-Q158 HydrophobicContact CE-CB 4.02Å; M144-Q158 HydrophobicContact SD-CB 3.51Å; M144-Q158 VanDerWaalsContact SD-CB 3.51Å; M150-Q158 VanDerWaalsContact CE-NE2 3.3Å; A151-Q158 PolarHBondContact O-NE2 2.82Å; A153-Q158 HydrophobicContact CB-CG 4.19Å; A153-Q158 PolarHBondContact O-NE2 3.14Å; P154-Q158 WeakPolarHBondContact O-CG 3.28Å; P154-Q158 PolarHBondContact O-N 3Å; G155-Q158 WeakPolarHBondContact O-CA 3.25Å; G155-Q158 WeakPolarHBondContact O-CB 3.3Å; G155-Q158 PolarHBondContact O-N 2.97Å; A156-Q158 PolarHBondContact O-N 2.94Å; Q158-N162 WeakPolarHBondContact O-CB 3.32Å; Q158-N162 PolarHBondContact O-N 2.95Å; Q158-N162 PolarHBondContact O-ND2 3.4Å; Q158-F213 HydrophobicContact CB-CD1 4.49Å; Q158-F213 HydrophobicContact CB-CE1 4.28Å; Q158-F213 HydrophobicContact CB-CE2 4.39Å; Q158-F213 HydrophobicContact CB-CZ 4.22Å; Q158-F213 HydrophobicContact CG-CD1 4.35Å; Q158-F213 HydrophobicContact CG-CD2 3.7Å; Q158-F213 HydrophobicContact CG-CE1 4.38Å; Q158-F213 HydrophobicContact CG-CE2 3.73Å; Q158-F213 HydrophobicContact CG-CG 4.01Å; Q158-F213 HydrophobicContact CG-CZ 4.07Å
159M98.6Very high97.3Very high9 Ų932.1 Ų32.14%0.04421%0.208CC..Hα-helixtrans-59.1-52.6-179.1-66.3172.684.700111.4H140 M141 M144 G155 A156 A163 M272 V273 L391H140-M159 HydrophobicContact CB-CE 3.81Å; M141-M159 HydrophobicContact CG-SD 4.43Å; M144-M159 HydrophobicContact SD-CB 4.28Å; M144-M159 HydrophobicContact SD-CG 3.7Å; M144-M159 PolarHBondContact SD-N 3.2Å; M144-M159 VanDerWaalsContact SD-N 3.39Å; G155-M159 WeakPolarHBondContact O-CG 3.37Å; G155-M159 PolarHBondContact O-N 2.75Å; A156-M159 PolarHBondContact O-N 3.34Å; A156-M159 VanDerWaalsContact O-N 3.15Å; M159-A163 PolarHBondContact O-N 3.49Å; M159-A163 VanDerWaalsContact O-N 3.13Å; M159-M272 HydrophobicContact CB-CE 3.94Å; M159-M272 HydrophobicContact CE-CE 3.84Å; M159-M272 HydrophobicContact CE-SD 3.27Å; M159-M272 WeakPolarHBondContact CE-SD 3.27Å; M159-M272 HydrophobicContact CG-CE 4.05Å; M159-V273 HydrophobicContact CB-CG1 4.2Å; M159-L391 HydrophobicContact CE-CD1 3.42Å; M159-L391 VanDerWaalsContact CE-CD1 3.42Å; M159-L391 HydrophobicContact SD-CD1 3.96Å
160F98.6Very high97.3Very high12 Ų1235.7 Ų35.75%0.05321%0.214CC..Hα-helixtrans-77.5-34.2-178.8-65.8-78.3000112.9A156 N162 A163 G164 V273 C304 F305 A307 N308 L391A156-F160 WeakPolarHBondContact O-CD2 3.39Å; A156-F160 PolarHBondContact O-N 2.8Å; F160-N162 VanDerWaalsContact C-N 3.33Å; F160-A163 WeakPolarHBondContact O-CB 3.21Å; F160-A163 PolarHBondContact O-N 3.05Å; F160-G164 PolarHBondContact O-N 2.8Å; F160-V273 HydrophobicContact CD1-CB 3.88Å; F160-V273 HydrophobicContact CD1-CG1 3.86Å; F160-V273 HydrophobicContact CD1-CG2 4.14Å; F160-V273 HydrophobicContact CE1-CB 3.63Å; F160-V273 HydrophobicContact CE1-CG1 3.93Å; F160-V273 HydrophobicContact CE1-CG2 4.21Å; F160-V273 HydrophobicContact CG-CG1 4.37Å; F160-V273 HydrophobicContact CZ-CB 4.39Å; F160-V273 HydrophobicContact CZ-CG1 4.47Å; F160-C304 VanDerWaalsContact CZ-SG 3.58Å; F160-F305 HydrophobicContact CB-CB 4.09Å; F160-F305 HydrophobicContact CB-CD2 3.66Å; F160-F305 HydrophobicContact CB-CE2 4.44Å; F160-F305 HydrophobicContact CB-CG 4.04Å; F160-F305 AromaticContact CD2-CD2 3.31Å; F160-F305 HydrophobicContact CD2-CD2 3.31Å; F160-F305 AromaticContact CD2-CE2 3.47Å; F160-F305 HydrophobicContact CD2-CE2 3.47Å; F160-F305 VanDerWaalsContact CD2-CE2 3.47Å; F160-F305 HydrophobicContact CD2-CG 4.45Å; F160-F305 HydrophobicContact CE2-CD2 4.11Å; F160-F305 HydrophobicContact CE2-CE2 4.08Å; F160-F305 AromaticContact CG-CD2 3.63Å; F160-F305 HydrophobicContact CG-CD2 3.63Å; F160-F305 HydrophobicContact CG-CE2 4.26Å; F160-F305 HydrophobicContact CG-CG 4.47Å; F160-A307 VanDerWaalsContact O-CB 3.24Å; F160-A307 WeakPolarHBondContact O-CB 3.39Å; F160-N308 HydrophobicContact CD1-CB 3.65Å; F160-N308 HydrophobicContact CE1-CB 3.94Å; F160-N308 VanDerWaalsContact CE1-CG 3.47Å; F160-N308 VanDerWaalsContact CE1-OD1 3.31Å; F160-N308 WeakPolarHBondContact CE1-OD1 3.28Å; F160-N308 HydrophobicContact CG-CB 4.47Å; F160-L391 HydrophobicContact CE2-CD1 3.99Å; F160-L391 HydrophobicContact CZ-CD1 3.85Å; F160-L391 HydrophobicContact CZ-CD2 4.27Å; F160-L391 HydrophobicContact CZ-CG 4.13Å
161G98.7Very high97.4Very high0 Ų035.3 Ų35.30%021%0.208CC..Hα-helixtrans-62.3-41.6173.100000111.8P157 G164 R165 F215P157-G161 WeakPolarHBondContact O-CA 3.44Å; P157-G161 PolarHBondContact O-N 2.73Å; G161-G164 PolarHBondContact O-N 2.96Å; G161-R165 WeakPolarHBondContact O-CG 3.26Å; G161-R165 PolarHBondContact O-N 2.98Å; G161-F215 WeakPolarHBondContact O-CE1 3.21Å
162N98.9Very high97.6Very high1 Ų135.9 Ų35.91%0.00522%0.217CC..Hα-helixtrans-68-33.3174.8-73.6-30.3000112.9M144 Y148 Q158 F160 G164 R165 E166 F213 C269M144-N162 HydrophobicContact CG-CB 4.31Å; M144-N162 WeakPolarHBondContact CG-ND2 3.36Å; Y148-N162 HydrophobicContact CD2-CB 3.6Å; Y148-N162 HydrophobicContact CE2-CB 4Å; Y148-N162 HydrophobicContact CG-CB 4.35Å; Q158-N162 WeakPolarHBondContact O-CB 3.32Å; Q158-N162 PolarHBondContact O-N 2.95Å; Q158-N162 PolarHBondContact O-ND2 3.4Å; F160-N162 VanDerWaalsContact C-N 3.33Å; N162-G164 VanDerWaalsContact C-N 3.34Å; N162-R165 PolarHBondContact O-N 3.41Å; N162-R165 WeakPolarHBondContact OD1-CD 3.47Å; N162-R165 PolarHBondContact OD1-NH1 3.32Å; N162-E166 PolarHBondContact O-N 2.93Å; N162-F213 WeakPolarHBondContact OD1-CE1 3.4Å; N162-F213 WeakPolarHBondContact OD1-CZ 3.38Å; N162-C269 HydrophobicContact CB-CB 4.15Å
163A98.9Very high97.8Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-63.1-40.9169.600000111.8M159 F160 E166 H167 C269 I270 V273 I311M159-A163 PolarHBondContact O-N 3.49Å; M159-A163 VanDerWaalsContact O-N 3.13Å; F160-A163 WeakPolarHBondContact O-CB 3.21Å; F160-A163 PolarHBondContact O-N 3.05Å; A163-E166 PolarHBondContact O-N 3.45Å; A163-H167 PolarHBondContact O-N 2.86Å; A163-C269 HydrophobicContact CB-CB 4.16Å; A163-I270 HydrophobicContact CB-CG1 4.22Å; A163-I270 WeakPolarHBondContact O-CG1 3.28Å; A163-V273 HydrophobicContact CB-CG1 4.35Å; A163-V273 HydrophobicContact CB-CG2 3.77Å; A163-I311 HydrophobicContact CB-CD1 4.3Å
164G98.9Very high98.1Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-64.8-41.2172.600000113F160 G161 N162 E166 H167 M168F160-G164 PolarHBondContact O-N 2.8Å; G161-G164 PolarHBondContact O-N 2.96Å; N162-G164 VanDerWaalsContact C-N 3.34Å; G164-E166 PolarHBondContact O-N 2.95Å; G164-H167 WeakPolarHBondContact O-CB 3.24Å; G164-H167 PolarHBondContact O-N 3.32Å; G164-H167 VanDerWaalsContact O-N 3.1Å; G164-M168 WeakPolarHBondContact O-CG 3.12Å; G164-M168 PolarHBondContact O-N 3.38Å
165R98.8Very high98.4Very high59 Ų5935.9 Ų35.922%0.22319%0.193CC..Hα-helixtrans-58.5-46.3173.4-71.3168.965.8-169.44.4111.7G161 N162 H167 M168 E169 D214 F215G161-R165 WeakPolarHBondContact O-CG 3.26Å; G161-R165 PolarHBondContact O-N 2.98Å; N162-R165 PolarHBondContact O-N 3.41Å; N162-R165 WeakPolarHBondContact OD1-CD 3.47Å; N162-R165 PolarHBondContact OD1-NH1 3.32Å; R165-H167 VanDerWaalsContact C-N 3.26Å; R165-H167 PolarHBondContact O-N 2.75Å; R165-M168 HydrophobicContact CB-CE 4.39Å; R165-M168 HydrophobicContact CG-CE 4.03Å; R165-M168 WeakPolarHBondContact O-CB 3.34Å; R165-M168 PolarHBondContact O-N 3.4Å; R165-E169 WeakPolarHBondContact O-CG 3.21Å; R165-E169 PolarHBondContact O-N 3.5Å; R165-D214 WeakPolarHBondContact CD-OD2 3.45Å; R165-D214 IonicContact CZ-OD2 3.97Å; R165-D214 IonicContact NE-OD2 3.63Å; R165-D214 PolarHBondContact NE-OD2 3.29Å; R165-F215 HydrophobicContact CG-CD1 4.32Å; R165-F215 HydrophobicContact CG-CE1 4.1Å
166E98.9Very high98.5Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-59.8-37.3174.7179.3-179.9176.200111.9R147 N162 A163 G164 E169 K170 S268 C269 I270R147-E166 IonicContact NH1-OE1 3.62Å; N162-E166 PolarHBondContact O-N 2.93Å; A163-E166 PolarHBondContact O-N 3.45Å; G164-E166 PolarHBondContact O-N 2.95Å; E166-E169 PolarHBondContact O-N 3.18Å; E166-K170 HydrophobicContact CG-CD 4.02Å; E166-K170 HydrophobicContact CG-CG 4.5Å; E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 WeakPolarHBondContact O-CG 3.22Å; E166-K170 PolarHBondContact O-N 2.97Å; E166-K170 VanDerWaalsContact OE1-CE 3.29Å; E166-K170 WeakPolarHBondContact OE1-CE 3.02Å; E166-K170 IonicContact OE1-NZ 3.5Å; E166-K170 PolarHBondContact OE1-NZ 2.7Å; E166-S268 WeakPolarHBondContact OE1-CB 3.33Å; E166-S268 PolarHBondContact OE1-OG 2.9Å; E166-S268 WeakPolarHBondContact OE2-CA 3.38Å; E166-S268 PolarHBondContact OE2-OG 2.88Å; E166-C269 WeakPolarHBondContact OE2-CA 3.31Å; E166-C269 PolarHBondContact OE2-N 2.95Å; E166-I270 HydrophobicContact CB-CD1 4.1Å; E166-I270 HydrophobicContact CB-CG1 4.12Å; E166-I270 HydrophobicContact CG-CD1 3.75Å; E166-I270 HydrophobicContact CG-CG1 4.06Å; E166-I270 PolarHBondContact OE2-N 3.3Å
167H98.9Very high98.7Very high1 Ų137.2 Ų37.21%0.00519%0.186CC..Hα-helixtrans-67.2-41.1176.4-165.2-80.5000111.8A163 G164 R165 K170 Y171 T173 I270 I311 E314A163-H167 PolarHBondContact O-N 2.86Å; G164-H167 WeakPolarHBondContact O-CB 3.24Å; G164-H167 PolarHBondContact O-N 3.32Å; G164-H167 VanDerWaalsContact O-N 3.1Å; R165-H167 VanDerWaalsContact C-N 3.26Å; R165-H167 PolarHBondContact O-N 2.75Å; H167-K170 PolarHBondContact O-N 2.89Å; H167-Y171 AromaticContact CD2-CD2 3.52Å; H167-Y171 AromaticContact CD2-CE2 3.81Å; H167-Y171 AromaticContact CE1-CD2 3.71Å; H167-Y171 AromaticContact CG-CD2 3.79Å; H167-Y171 AromaticContact ND1-CD2 3.91Å; H167-Y171 AromaticContact NE2-CD2 3.48Å; H167-Y171 WeakPolarHBondContact NE2-CD2 3.3Å; H167-Y171 AromaticContact NE2-CE2 3.95Å; H167-Y171 WeakPolarHBondContact O-CB 3.45Å; H167-Y171 PolarHBondContact O-N 2.89Å; H167-T173 PolarHBondContact CE1-OG1 3.17Å; H167-T173 WeakPolarHBondContact ND1-CB 3.36Å; H167-T173 PolarHBondContact ND1-OG1 3.43Å; H167-I270 HydrophobicContact CB-CD1 4.04Å; H167-I311 HydrophobicContact CB-CG2 4.29Å; H167-E314 IonicContact CD2-OE2 2.69Å; H167-E314 IonicContact CE1-OE1 2.7Å; H167-E314 PolarHBondContact CE1-OE1 3.37Å; H167-E314 VanDerWaalsContact NE2-CD 3.28Å; H167-E314 IonicContact NE2-OE1 3.98Å; H167-E314 PolarHBondContact NE2-OE1 3.42Å; H167-E314 IonicContact NE2-OE2 3.61Å; H167-E314 PolarHBondContact NE2-OE2 3.14Å; H167-E314 VanDerWaalsContact NE2-OE2 3.15Å
168M98.9Very high98.8Very high39 Ų3936.9 Ų36.919%0.19218%0.184CC..Hα-helixtrans-61.4-44.9172.6-61.5-167.7-74.800111.9G164 R165 K170 G172 T173 P175 F178 F215G164-M168 WeakPolarHBondContact O-CG 3.12Å; G164-M168 PolarHBondContact O-N 3.38Å; R165-M168 HydrophobicContact CB-CE 4.39Å; R165-M168 HydrophobicContact CG-CE 4.03Å; R165-M168 WeakPolarHBondContact O-CB 3.34Å; R165-M168 PolarHBondContact O-N 3.4Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 3.14Å; M168-G172 WeakPolarHBondContact O-CA 3.44Å; M168-G172 PolarHBondContact O-N 2.67Å; M168-T173 WeakPolarHBondContact CB-O 3.05Å; M168-T173 WeakPolarHBondContact CG-O 3.28Å; M168-P175 HydrophobicContact SD-CG 3.99Å; M168-F178 HydrophobicContact CG-CE2 3.68Å; M168-F178 HydrophobicContact CG-CZ 4.14Å; M168-F178 HydrophobicContact SD-CE2 3.85Å; M168-F215 HydrophobicContact CE-CD1 3.45Å; M168-F215 VanDerWaalsContact CE-CD1 3.45Å; M168-F215 HydrophobicContact CE-CE1 3.72Å; M168-F215 HydrophobicContact CE-CG 4.25Å
169E98.8Very high98.8Very high111 Ų11136.9 Ų36.952%0.51918%0.184SC..Hα-helixtrans-60.3-41.2177.6-73164.6-163.200112.4R147 Y148 R165 E166R147-E169 IonicContact NH2-OE2 2.75Å; R147-E169 PolarHBondContact NH2-OE2 2.91Å; Y148-E169 VanDerWaalsContact CE1-OE1 3.24Å; Y148-E169 WeakPolarHBondContact CE1-OE1 3.36Å; Y148-E169 PolarHBondContact OH-OE1 3.42Å; Y148-E169 PolarHBondContact OH-OE2 2.75Å; R165-E169 WeakPolarHBondContact O-CG 3.21Å; R165-E169 PolarHBondContact O-N 3.5Å; E166-E169 PolarHBondContact O-N 3.18Å
170K98.7Very high98.8Very high107 Ų10739.3 Ų39.347%0.46519%0.194SC..Hα-helixtrans-81.4-40.3-175.8-75.9178.6171.1177.20113.7E166 H167 M168E166-K170 HydrophobicContact CG-CD 4.02Å; E166-K170 HydrophobicContact CG-CG 4.5Å; E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 WeakPolarHBondContact O-CG 3.22Å; E166-K170 PolarHBondContact O-N 2.97Å; E166-K170 VanDerWaalsContact OE1-CE 3.29Å; E166-K170 WeakPolarHBondContact OE1-CE 3.02Å; E166-K170 IonicContact OE1-NZ 3.5Å; E166-K170 PolarHBondContact OE1-NZ 2.7Å; H167-K170 PolarHBondContact O-N 2.89Å; M168-K170 VanDerWaalsContact C-N 3.34Å; M168-K170 PolarHBondContact O-N 3.14Å
171Y98.7Very high98.8Very high96 Ų9638.7 Ų38.738%0.37619%0.192SC..Hα-helixtrans-122.4-4-164.8-54.2-66.6000114H167 T173 G322H167-Y171 AromaticContact CD2-CD2 3.52Å; H167-Y171 AromaticContact CD2-CE2 3.81Å; H167-Y171 AromaticContact CE1-CD2 3.71Å; H167-Y171 AromaticContact CG-CD2 3.79Å; H167-Y171 AromaticContact ND1-CD2 3.91Å; H167-Y171 AromaticContact NE2-CD2 3.48Å; H167-Y171 WeakPolarHBondContact NE2-CD2 3.3Å; H167-Y171 AromaticContact NE2-CE2 3.95Å; H167-Y171 WeakPolarHBondContact O-CB 3.45Å; H167-Y171 PolarHBondContact O-N 2.89Å; Y171-T173 PolarHBondContact O-N 3.13Å; Y171-G322 VanDerWaalsContact CG-CA 3.48Å
172G98.5Very high98.8Very high55 Ų5538.7 Ų38.757%0.56719%0.192SC*.  trans72.616.3179.700000114.4M168M168-G172 WeakPolarHBondContact O-CA 3.44Å; M168-G172 PolarHBondContact O-N 2.67Å
173T98.7Very high98.8Very high11 Ų1142.8 Ų42.87%0.06721%0.207CC..  trans-53.5146169.2-56.20000110.2H167 M168 Y171 H177 F178 L310H167-T173 PolarHBondContact CE1-OG1 3.17Å; H167-T173 WeakPolarHBondContact ND1-CB 3.36Å; H167-T173 PolarHBondContact ND1-OG1 3.43Å; M168-T173 WeakPolarHBondContact CB-O 3.05Å; M168-T173 WeakPolarHBondContact CG-O 3.28Å; Y171-T173 PolarHBondContact O-N 3.13Å; T173-H177 HydrophobicContact CG2-CB 3.99Å; T173-F178 HydrophobicContact CG2-CE2 3.8Å; T173-F178 HydrophobicContact CG2-CZ 3.9Å; T173-L310 HydrophobicContact CG2-CD1 3.68Å; T173-L310 HydrophobicContact CG2-CD2 4.2Å
174K98.8Very high98.8Very high124 Ų12442.8 Ų42.854%0.53921%0.207SC..  trans-108.3151.1-173.4-49.3-177.9177.5175.90111.7E176 H177 F178K174-E176 WeakPolarHBondContact CB-OE2 3.4Å; K174-E176 PolarHBondContact O-N 3.24Å; K174-E176 VanDerWaalsContact O-N 3.09Å; K174-H177 PolarHBondContact N-ND1 3.39Å; K174-H177 WeakPolarHBondContact O-CB 3.43Å; K174-H177 PolarHBondContact O-N 3.2Å; K174-F178 WeakPolarHBondContact O-CD2 3.41Å
175P98.8Very high98.8Very high58 Ų5842.8 Ų42.838%0.37721%0.207SC..Hα-helixtrans-48.3-36.1172.1-30.538.1000113.7M168 H177 F178 A179 F215M168-P175 HydrophobicContact SD-CG 3.99Å; P175-H177 VanDerWaalsContact C-N 3.28Å; P175-H177 PolarHBondContact O-N 3.23Å; P175-F178 PolarHBondContact O-N 3.34Å; P175-A179 PolarHBondContact O-N 3.2Å; P175-A179 VanDerWaalsContact O-N 3.13Å; P175-F215 HydrophobicContact CB-CB 4.23Å
176E98.8Very high98.8Very high76 Ų7640.1 Ų40.136%0.35520%0.197SC..Hα-helixtrans-62.8-31.5178.9-62.973.9-163.200112.6K174 F178 A179 K180 M207K174-E176 WeakPolarHBondContact CB-OE2 3.4Å; K174-E176 PolarHBondContact O-N 3.24Å; K174-E176 VanDerWaalsContact O-N 3.09Å; E176-F178 VanDerWaalsContact C-N 3.35Å; E176-A179 PolarHBondContact O-N 3.13Å; E176-K180 WeakPolarHBondContact O-CB 3.47Å; E176-K180 VanDerWaalsContact O-CG 3.27Å; E176-K180 WeakPolarHBondContact O-CG 3.4Å; E176-K180 PolarHBondContact O-N 3.09Å; E176-M207 HydrophobicContact CG-CE 3.78Å; E176-M207 HydrophobicContact CG-SD 4.11Å
177H98.9Very high98.8Very high15 Ų1543.7 Ų43.77%0.06921%0.213CC..Hα-helixtrans-65.1-40.8177.2-64140.4000111.2T173 K174 P175 K180 I181 L310 G325 D329T173-H177 HydrophobicContact CG2-CB 3.99Å; K174-H177 PolarHBondContact N-ND1 3.39Å; K174-H177 WeakPolarHBondContact O-CB 3.43Å; K174-H177 PolarHBondContact O-N 3.2Å; P175-H177 VanDerWaalsContact C-N 3.28Å; P175-H177 PolarHBondContact O-N 3.23Å; H177-K180 PolarHBondContact O-N 3.23Å; H177-I181 PolarHBondContact O-N 2.72Å; H177-L310 HydrophobicContact CB-CD1 3.97Å; H177-G325 PolarHBondContact NE2-O 3.07Å; H177-D329 IonicContact CD2-OD1 3.82Å; H177-D329 PolarHBondContact CD2-OD1 2.93Å; H177-D329 IonicContact CD2-OD2 3.63Å; H177-D329 IonicContact CE1-OD2 2.71Å; H177-D329 VanDerWaalsContact NE2-CG 3.33Å; H177-D329 IonicContact NE2-OD1 3.4Å; H177-D329 PolarHBondContact NE2-OD1 2.72Å; H177-D329 IonicContact NE2-OD2 2.74Å; H177-D329 PolarHBondContact NE2-OD2 3.29Å
178F98.9Very high98.8Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-67.5-41.1175-57.2-79.5000111.9M168 T173 K174 P175 E176 K180 I181 A182 F215 S306 A307 L310M168-F178 HydrophobicContact CG-CE2 3.68Å; M168-F178 HydrophobicContact CG-CZ 4.14Å; M168-F178 HydrophobicContact SD-CE2 3.85Å; T173-F178 HydrophobicContact CG2-CE2 3.8Å; T173-F178 HydrophobicContact CG2-CZ 3.9Å; K174-F178 WeakPolarHBondContact O-CD2 3.41Å; P175-F178 PolarHBondContact O-N 3.34Å; E176-F178 VanDerWaalsContact C-N 3.35Å; F178-K180 PolarHBondContact O-N 3.49Å; F178-I181 WeakPolarHBondContact O-CB 3.49Å; F178-I181 PolarHBondContact O-N 3.35Å; F178-A182 PolarHBondContact O-N 3.28Å; F178-F215 HydrophobicContact CB-CD2 4.03Å; F178-F215 HydrophobicContact CB-CE2 3.7Å; F178-F215 AromaticContact CD1-CE2 3.82Å; F178-F215 HydrophobicContact CD1-CE2 3.82Å; F178-F215 HydrophobicContact CD1-CZ 4.17Å; F178-F215 AromaticContact CD2-CD2 3.91Å; F178-F215 HydrophobicContact CD2-CD2 3.91Å; F178-F215 AromaticContact CD2-CE2 3.59Å; F178-F215 HydrophobicContact CD2-CE2 3.59Å; F178-F215 HydrophobicContact CD2-CZ 4.1Å; F178-F215 HydrophobicContact CE1-CE2 4.29Å; F178-F215 HydrophobicContact CE1-CZ 4.19Å; F178-F215 HydrophobicContact CE2-CE2 4.1Å; F178-F215 HydrophobicContact CE2-CZ 4.14Å; F178-F215 HydrophobicContact CG-CD2 4.02Å; F178-F215 AromaticContact CG-CE2 3.41Å; F178-F215 HydrophobicContact CG-CE2 3.41Å; F178-F215 VanDerWaalsContact CG-CE2 3.41Å; F178-F215 HydrophobicContact CG-CZ 4.11Å; F178-F215 HydrophobicContact CZ-CE2 4.42Å; F178-F215 HydrophobicContact CZ-CZ 4.18Å; F178-S306 WeakPolarHBondContact O-CB 3.21Å; F178-A307 HydrophobicContact CD1-CB 4.13Å; F178-A307 HydrophobicContact CE1-CB 4.1Å; F178-L310 HydrophobicContact CD1-CB 4.03Å; F178-L310 HydrophobicContact CD1-CD1 3.74Å; F178-L310 HydrophobicContact CD1-CG 4.38Å; F178-L310 HydrophobicContact CE1-CB 3.86Å; F178-L310 HydrophobicContact CE1-CD1 3.62Å; F178-L310 HydrophobicContact CE1-CD2 4.05Å; F178-L310 HydrophobicContact CE1-CG 4.03Å; F178-L310 HydrophobicContact CG-CD1 4.28Å; F178-L310 HydrophobicContact CZ-CD1 4.05Å; F178-L310 HydrophobicContact CZ-CD2 4.37Å
179A98.9Very high98.8Very high1 Ų141.9 Ų41.91%0.00820%0.204CC..Hα-helixtrans-64.7-38176.300000112.5P175 E176 I181 A182 W183 L203 V206 M207P175-A179 PolarHBondContact O-N 3.2Å; P175-A179 VanDerWaalsContact O-N 3.13Å; E176-A179 PolarHBondContact O-N 3.13Å; A179-I181 VanDerWaalsContact C-N 3.29Å; A179-I181 PolarHBondContact O-N 3.08Å; A179-A182 PolarHBondContact O-N 2.71Å; A179-W183 WeakPolarHBondContact O-CB 3.18Å; A179-W183 PolarHBondContact O-N 2.85Å; A179-L203 HydrophobicContact CB-CD1 3.71Å; A179-V206 HydrophobicContact CB-CG1 4.05Å; A179-M207 HydrophobicContact CB-CG 3.47Å; A179-M207 VanDerWaalsContact CB-CG 3.47Å; A179-M207 HydrophobicContact CB-SD 4.34Å
180K98.9Very high98.8Very high59 Ų5938.4 Ų38.426%0.25719%0.19SC..Hα-helixtrans-61-35.4174.7-78.5177.3-176.2-172.50112.7E176 H177 F178 W183 K184 L203 V328 D329E176-K180 WeakPolarHBondContact O-CB 3.47Å; E176-K180 VanDerWaalsContact O-CG 3.27Å; E176-K180 WeakPolarHBondContact O-CG 3.4Å; E176-K180 PolarHBondContact O-N 3.09Å; H177-K180 PolarHBondContact O-N 3.23Å; F178-K180 PolarHBondContact O-N 3.49Å; K180-W183 WeakPolarHBondContact O-CB 3.1Å; K180-W183 PolarHBondContact O-N 3.21Å; K180-K184 WeakPolarHBondContact O-CB 3.37Å; K180-K184 PolarHBondContact O-N 3.3Å; K180-L203 HydrophobicContact CB-CD1 4.49Å; K180-L203 HydrophobicContact CG-CD1 3.88Å; K180-L203 HydrophobicContact CG-CD2 3.98Å; K180-V328 HydrophobicContact CB-CG1 3.48Å; K180-V328 VanDerWaalsContact CB-CG1 3.48Å; K180-V328 HydrophobicContact CD-CG1 3.8Å; K180-V328 HydrophobicContact CG-CG1 4.3Å; K180-D329 IonicContact NZ-OD1 2.93Å; K180-D329 PolarHBondContact NZ-OD1 3.16Å
181I98.9Very high98.8Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-62.6-48.9174.9-71.5169000110.9H177 F178 A179 K184 N185 E309 L310 Y313 V328H177-I181 PolarHBondContact O-N 2.72Å; F178-I181 WeakPolarHBondContact O-CB 3.49Å; F178-I181 PolarHBondContact O-N 3.35Å; A179-I181 VanDerWaalsContact C-N 3.29Å; A179-I181 PolarHBondContact O-N 3.08Å; I181-K184 PolarHBondContact O-N 3.24Å; I181-N185 PolarHBondContact O-N 2.97Å; I181-N185 PolarHBondContact O-ND2 3.47Å; I181-E309 HydrophobicContact CD1-CG 4.34Å; I181-E309 HydrophobicContact CG2-CB 3.9Å; I181-E309 HydrophobicContact CG2-CG 3.68Å; I181-E309 VanDerWaalsContact CG2-OE2 3.31Å; I181-E309 WeakPolarHBondContact CG2-OE2 3.42Å; I181-L310 HydrophobicContact CD1-CB 3.57Å; I181-L310 HydrophobicContact CD1-CD1 4Å; I181-L310 HydrophobicContact CD1-CG 4.13Å; I181-Y313 HydrophobicContact CD1-CE2 3.94Å; I181-Y313 HydrophobicContact CG1-CE2 4.33Å; I181-V328 HydrophobicContact CD1-CG2 4.06Å; I181-V328 HydrophobicContact CG1-CG2 3.86Å
182A98.9Very high98.7Very high0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-63.9-42.1177.800000112.2F178 A179 K184 N185 H186 V206 L219 Q220 I348F178-A182 PolarHBondContact O-N 3.28Å; A179-A182 PolarHBondContact O-N 2.71Å; A182-K184 VanDerWaalsContact C-N 3.31Å; A182-K184 PolarHBondContact O-N 2.94Å; A182-N185 PolarHBondContact O-N 3.49Å; A182-H186 PolarHBondContact O-CD2 3.37Å; A182-H186 PolarHBondContact O-N 2.73Å; A182-V206 HydrophobicContact CB-CG1 3.86Å; A182-L219 WeakPolarHBondContact CB-O 3.37Å; A182-Q220 HydrophobicContact CB-CB 4.23Å; A182-Q220 HydrophobicContact CB-CG 3.67Å; A182-I348 HydrophobicContact CB-CD1 4.08Å; A182-I348 HydrophobicContact CB-CG2 4.45Å
183W98.9Very high98.7Very high86 Ų8631.5 Ų31.533%0.32616%0.156SC..Hα-helixtrans-52.2-49.4171.8164.374.4000111.8A179 K180 N185 H186 K187 L203 V206A179-W183 WeakPolarHBondContact O-CB 3.18Å; A179-W183 PolarHBondContact O-N 2.85Å; K180-W183 WeakPolarHBondContact O-CB 3.1Å; K180-W183 PolarHBondContact O-N 3.21Å; W183-N185 PolarHBondContact O-N 3.36Å; W183-H186 PolarHBondContact O-N 3.42Å; W183-K187 HydrophobicContact CH2-CD 4.42Å; W183-K187 HydrophobicContact CZ2-CD 3.92Å; W183-K187 WeakPolarHBondContact O-CB 3.19Å; W183-K187 PolarHBondContact O-N 2.82Å; W183-L203 HydrophobicContact CB-CD1 4.36Å; W183-V206 HydrophobicContact CB-CG2 4.4Å
184K98.9Very high98.7Very high1 Ų134 Ų340%0.00416%0.164CC..Hα-helixtrans-61.1-44.8178.1176.8-84.4-56.1-179.90112K180 I181 A182 K187 H188 E309 I341K180-K184 WeakPolarHBondContact O-CB 3.37Å; K180-K184 PolarHBondContact O-N 3.3Å; I181-K184 PolarHBondContact O-N 3.24Å; A182-K184 VanDerWaalsContact C-N 3.31Å; A182-K184 PolarHBondContact O-N 2.94Å; K184-K187 PolarHBondContact O-N 3.13Å; K184-H188 WeakPolarHBondContact CD-CE1 3.47Å; K184-H188 PolarHBondContact O-CD2 3.48Å; K184-H188 VanDerWaalsContact O-CG 3.32Å; K184-H188 PolarHBondContact O-N 3.26Å; K184-E309 WeakPolarHBondContact CE-OE1 3.49Å; K184-E309 IonicContact NZ-OE1 3.36Å; K184-E309 PolarHBondContact NZ-OE1 3.16Å; K184-E309 IonicContact NZ-OE2 2.98Å; K184-I341 PolarHBondContact NZ-O 3.36Å
185N98.9Very high98.7Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-62.4-45.5178.3-78.8-33.1000112.1I181 A182 W183 K187 H188 S189 D303 E309 N342 G345 I348 S349I181-N185 PolarHBondContact O-N 2.97Å; I181-N185 PolarHBondContact O-ND2 3.47Å; A182-N185 PolarHBondContact O-N 3.49Å; W183-N185 PolarHBondContact O-N 3.36Å; N185-K187 PolarHBondContact O-N 3.02Å; N185-H188 PolarHBondContact O-N 2.61Å; N185-S189 PolarHBondContact O-N 3.07Å; N185-D303 PolarHBondContact ND2-OD2 2.81Å; N185-D303 VanDerWaalsContact ND2-OD2 3.15Å; N185-E309 PolarHBondContact ND2-OE2 3.32Å; N185-N342 WeakPolarHBondContact OD1-CB 3.47Å; N185-G345 WeakPolarHBondContact CB-O 3.24Å; N185-G345 WeakPolarHBondContact O-CA 3.14Å; N185-I348 HydrophobicContact CB-CB 4.14Å; N185-I348 HydrophobicContact CB-CG2 4.33Å; N185-S349 PolarHBondContact O-OG 3.11Å
186H98.9Very high98.7Very high3 Ų326.6 Ų26.61%0.01413%0.127CC..Hα-helixtrans-63.2-41.4175.1-72.4-65.2000112.3A182 W183 H188 S189 Y201 L219 I348 S349A182-H186 PolarHBondContact O-CD2 3.37Å; A182-H186 PolarHBondContact O-N 2.73Å; W183-H186 PolarHBondContact O-N 3.42Å; H186-H188 PolarHBondContact O-N 2.83Å; H186-S189 WeakPolarHBondContact O-CB 3.1Å; H186-S189 PolarHBondContact O-N 3.09Å; H186-S189 VanDerWaalsContact O-N 3.15Å; H186-S189 PolarHBondContact O-OG 2.78Å; H186-Y201 HydrophobicContact CB-CD2 3.83Å; H186-Y201 HydrophobicContact CB-CE2 4.48Å; H186-Y201 AromaticContact CD2-CD2 3.93Å; H186-Y201 AromaticContact CG-CD2 3.6Å; H186-Y201 AromaticContact CG-CE2 3.99Å; H186-Y201 AromaticContact ND1-CD2 3.87Å; H186-Y201 AromaticContact ND1-CE2 3.74Å; H186-L219 PolarHBondContact NE2-O 2.89Å; H186-I348 WeakPolarHBondContact NE2-CG2 3.48Å; H186-S349 VanDerWaalsContact CA-OG 3.26Å; H186-S349 WeakPolarHBondContact CA-OG 3.32Å; H186-S349 PolarHBondContact CE1-OG 3.31Å; H186-S349 PolarHBondContact N-OG 3.28Å; H186-S349 PolarHBondContact ND1-OG 3.09Å
187K98.8Very high98.7Very high75 Ų7526.4 Ų26.433%0.32613%0.125SC..Hα-helixtrans-58.7-44.4174.3-178.9168.8-176-79.80112.4W183 K184 N185 S189 T190 E200W183-K187 HydrophobicContact CH2-CD 4.42Å; W183-K187 HydrophobicContact CZ2-CD 3.92Å; W183-K187 WeakPolarHBondContact O-CB 3.19Å; W183-K187 PolarHBondContact O-N 2.82Å; K184-K187 PolarHBondContact O-N 3.13Å; N185-K187 PolarHBondContact O-N 3.02Å; K187-S189 VanDerWaalsContact C-N 3.32Å; K187-S189 PolarHBondContact O-N 3.06Å; K187-T190 PolarHBondContact O-OG1 3.2Å; K187-E200 HydrophobicContact CB-CG 4.33Å; K187-E200 WeakPolarHBondContact CD-OE1 3.23Å; K187-E200 WeakPolarHBondContact CG-OE1 3.44Å
188H98.8Very high98.6Very high1 Ų129.4 Ų29.41%0.00514%0.139CC..Hα-helixtrans-63.3-38.1176.1-72.1-171.2000112.2K184 N185 H186 T190 N191 T334 Y335 I341 N342K184-H188 WeakPolarHBondContact CD-CE1 3.47Å; K184-H188 PolarHBondContact O-CD2 3.48Å; K184-H188 VanDerWaalsContact O-CG 3.32Å; K184-H188 PolarHBondContact O-N 3.26Å; N185-H188 PolarHBondContact O-N 2.61Å; H186-H188 PolarHBondContact O-N 2.83Å; H188-T190 PolarHBondContact O-N 2.84Å; H188-N191 PolarHBondContact O-N 2.86Å; H188-N191 VanDerWaalsContact O-N 3.15Å; H188-T334 PolarHBondContact NE2-OG1 3.11Å; H188-Y335 AromaticContact CD2-CE2 3.8Å; H188-Y335 AromaticContact NE2-CD2 3.67Å; H188-Y335 AromaticContact NE2-CE2 3.71Å; H188-I341 PolarHBondContact CE1-O 2.84Å; H188-I341 PolarHBondContact ND1-O 3.3Å; H188-N342 PolarHBondContact ND1-O 2.96Å
189S98.7Very high98.6Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-60.4-27.4-176.383.80000114.5N185 H186 K187 N191 N192 F197N185-S189 PolarHBondContact O-N 3.07Å; H186-S189 WeakPolarHBondContact O-CB 3.1Å; H186-S189 PolarHBondContact O-N 3.09Å; H186-S189 VanDerWaalsContact O-N 3.15Å; H186-S189 PolarHBondContact O-OG 2.78Å; K187-S189 VanDerWaalsContact C-N 3.32Å; K187-S189 PolarHBondContact O-N 3.06Å; S189-N191 PolarHBondContact O-N 2.85Å; S189-N192 PolarHBondContact O-N 3.33Å; S189-F197 WeakPolarHBondContact CB-O 2.95Å; S189-F197 PolarHBondContact OG-O 2.84Å; S189-F197 VanDerWaalsContact OG-O 3.09Å
190T98.6Very high98.5Very high38 Ų3839.1 Ų39.123%0.23319%0.187CC..THydrogen-bonded Turntrans-58-23.2177.365.90000113.4K187 H188 Q198 E200K187-T190 PolarHBondContact O-OG1 3.2Å; H188-T190 PolarHBondContact O-N 2.84Å; T190-Q198 WeakPolarHBondContact CG2-O 3.43Å; T190-E200 HydrophobicContact CG2-CB 3.88Å
191N97.7Very high98.5Very high34 Ų3438.8 Ų38.818%0.18219%0.185CC..THydrogen-bonded Turntrans-95.80.6178.8-62.4-53.7000112.6H188 S189 R375 R376H188-N191 PolarHBondContact O-N 2.86Å; H188-N191 VanDerWaalsContact O-N 3.15Å; S189-N191 PolarHBondContact O-N 2.85Å; N191-R375 HydrophobicContact CB-CB 3.89Å; N191-R375 PolarHBondContact OD1-NE 3.34Å; N191-R375 PolarHBondContact OD1-NH2 3.49Å; N191-R376 HydrophobicContact CB-CG 3.57Å; N191-R376 WeakPolarHBondContact O-CG 3.36Å; N191-R376 PolarHBondContact O-NH1 3.49Å
192N98.6Very high98.5Very high3 Ų341.2 Ų41.22%0.01620%0.202CC..  trans-111.3105.1-175.9-171.63.7000112.4S189 Y194 S195 Q198 S344S189-N192 PolarHBondContact O-N 3.33Å; N192-Y194 PolarHBondContact O-N 2.8Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.22Å; N192-Y194 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y194 PolarHBondContact OD1-N 3.04Å; N192-S195 WeakPolarHBondContact O-CB 3.48Å; N192-S195 PolarHBondContact O-N 3.14Å; N192-S195 VanDerWaalsContact O-N 3.14Å; N192-Q198 VanDerWaalsContact O-CD 3.25Å; N192-Q198 WeakPolarHBondContact O-CG 3.06Å; N192-Q198 PolarHBondContact O-NE2 2.77Å; N192-S344 WeakPolarHBondContact CB-O 3.16Å; N192-S344 PolarHBondContact ND2-O 3.23Å
193P98.1Very high98.5Very high76 Ų7643.7 Ų43.749%0.49422%0.215SC..THydrogen-bonded Turntrans-68.1-16.8178.530.2-35.5000113.5S195 Q198P193-S195 VanDerWaalsContact C-N 3.35Å; P193-Q198 PolarHBondContact O-NE2 2.96Å
194Y98.6Very high98.4Very high63 Ų6346 Ų4625%0.24723%0.229CC..THydrogen-bonded Turntrans-85.6-8177.8-58.9-76.7000113.4M18 F21 N192 W367M18-Y194 HydrophobicContact CE-CG 4.39Å; M18-Y194 HydrophobicContact CG-CD1 4.05Å; M18-Y194 HydrophobicContact CG-CE1 4.29Å; M18-Y194 HydrophobicContact CG-CG 4.23Å; M18-Y194 HydrophobicContact SD-CD2 4.44Å; M18-Y194 HydrophobicContact SD-CG 4.2Å; F21-Y194 PolarHBondContact N-O 3.48Å; N192-Y194 PolarHBondContact O-N 2.8Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.22Å; N192-Y194 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y194 PolarHBondContact OD1-N 3.04Å; Y194-W367 HydrophobicContact CD2-CH2 4.21Å; Y194-W367 HydrophobicContact CD2-CZ3 4.22Å; Y194-W367 AromaticContact CE2-CH2 3.75Å; Y194-W367 HydrophobicContact CE2-CH2 3.75Å; Y194-W367 HydrophobicContact CE2-CZ3 4.04Å
195S98.6Very high98.4Very high0 Ų051 Ų510%025%0.252CS..  trans-76.7138.8-176.5-171.60000111.7N192 P193 F197 Q198 S349 K350N192-S195 WeakPolarHBondContact O-CB 3.48Å; N192-S195 PolarHBondContact O-N 3.14Å; N192-S195 VanDerWaalsContact O-N 3.14Å; P193-S195 VanDerWaalsContact C-N 3.35Å; S195-F197 VanDerWaalsContact C-N 3.35Å; S195-F197 VanDerWaalsContact CB-O 3.31Å; S195-F197 WeakPolarHBondContact CB-O 3.02Å; S195-F197 PolarHBondContact OG-O 3.25Å; S195-Q198 PolarHBondContact O-NE2 3.15Å; S195-S349 PolarHBondContact OG-O 2.96Å; S195-S349 VanDerWaalsContact OG-O 3.07Å; S195-K350 VanDerWaalsContact OG-CA 3.22Å; S195-K350 WeakPolarHBondContact OG-CA 3.5Å; S195-K350 PolarHBondContact OG-N 3.14Å
196Q98.5Very high98.4Very high27 Ų2751 Ų5113%0.12625%0.252CS..SBendtrans-61.8-44174.4-173.4-179.3-64.200111.4F21 D22 T224 S225 K350F21-Q196 WeakPolarHBondContact O-CA 3.39Å; F21-Q196 VanDerWaalsContact O-CB 3.28Å; F21-Q196 WeakPolarHBondContact O-CB 3.3Å; F21-Q196 PolarHBondContact O-N 3.14Å; D22-Q196 PolarHBondContact O-OE1 3.33Å; Q196-T224 PolarHBondContact OE1-O 2.87Å; Q196-S225 PolarHBondContact OE1-OG 3.31Å; Q196-K350 WeakPolarHBondContact CB-O 3.27Å; Q196-K350 PolarHBondContact N-O 2.95Å; Q196-K350 VanDerWaalsContact N-O 3.14Å
197F98.3Very high98.4Very high73 Ų7354.2 Ų54.232%0.3227%0.268SS..  trans-109.9134.9174.3-59.1-56.3000110.1S189 S195 P223 S349S189-F197 WeakPolarHBondContact CB-O 2.95Å; S189-F197 PolarHBondContact OG-O 2.84Å; S189-F197 VanDerWaalsContact OG-O 3.09Å; S195-F197 VanDerWaalsContact C-N 3.35Å; S195-F197 VanDerWaalsContact CB-O 3.31Å; S195-F197 WeakPolarHBondContact CB-O 3.02Å; S195-F197 PolarHBondContact OG-O 3.25Å; F197-P223 HydrophobicContact CD2-CG 4.06Å; F197-P223 HydrophobicContact CE2-CB 3.82Å; F197-P223 HydrophobicContact CE2-CG 3.55Å; F197-P223 HydrophobicContact CZ-CB 4.39Å; F197-P223 HydrophobicContact CZ-CG 4.47Å; F197-S349 PolarHBondContact N-O 3.26Å
198Q98.2Very high98.4Very high77 Ų7756.2 Ų56.236%0.3628%0.283SS..  trans-131.916.3-178.6-65.5174.334.700111.5T190 N192 P193 S195T190-Q198 WeakPolarHBondContact CG2-O 3.43Å; N192-Q198 VanDerWaalsContact O-CD 3.25Å; N192-Q198 WeakPolarHBondContact O-CG 3.06Å; N192-Q198 PolarHBondContact O-NE2 2.77Å; P193-Q198 PolarHBondContact O-NE2 2.96Å; S195-Q198 PolarHBondContact O-NE2 3.15Å
199D97.9Very high98.4Very high98 Ų9857.3 Ų57.352%0.52429%0.291SS..  trans-89138.1177.4-62.8-43.4000110.1Y201D199-Y201 HydrophobicContact CB-CE2 4.07Å
200E97.2Very high98.3Very high107 Ų10765.7 Ų65.750%0.532%0.322SS..  trans-84.8134.7167.2-171.8168.7-174.900109.5K187 T190K187-E200 HydrophobicContact CB-CG 4.33Å; K187-E200 WeakPolarHBondContact CD-OE1 3.23Å; K187-E200 WeakPolarHBondContact CG-OE1 3.44Å; T190-E200 HydrophobicContact CG2-CB 3.88Å
201Y98.4Very high98.3Very high53 Ų5370.6 Ų70.621%0.20834%0.34CS..  trans-113.5149.7174.3-61.4-79.3000109.6H186 D199 Q205 L219H186-Y201 HydrophobicContact CB-CD2 3.83Å; H186-Y201 HydrophobicContact CB-CE2 4.48Å; H186-Y201 AromaticContact CD2-CD2 3.93Å; H186-Y201 AromaticContact CG-CD2 3.6Å; H186-Y201 AromaticContact CG-CE2 3.99Å; H186-Y201 AromaticContact ND1-CD2 3.87Å; H186-Y201 AromaticContact ND1-CE2 3.74Å; D199-Y201 HydrophobicContact CB-CE2 4.07Å; Y201-Q205 HydrophobicContact CD1-CB 4.5Å; Y201-L219 HydrophobicContact CD1-CD1 3.84Å; Y201-L219 HydrophobicContact CD2-CD1 4.11Å; Y201-L219 HydrophobicContact CD2-CD2 4.26Å; Y201-L219 HydrophobicContact CE1-CD1 4.16Å; Y201-L219 HydrophobicContact CE1-CD2 4.45Å; Y201-L219 HydrophobicContact CE2-CD1 4.41Å; Y201-L219 HydrophobicContact CE2-CD2 3.87Å; Y201-L219 HydrophobicContact CG-CD1 3.82Å
202S98.7Very high98.3Very high50 Ų5070.7 Ų70.735%0.3534%0.342SS..  trans-72.6157.9166.4770000110.8E204 Q205 V206S202-E204 PolarHBondContact O-N 2.97Å; S202-Q205 WeakPolarHBondContact O-CB 3.24Å; S202-Q205 PolarHBondContact O-N 3.24Å; S202-Q205 VanDerWaalsContact O-N 3.13Å; S202-Q205 WeakPolarHBondContact OG-CG 3.39Å; S202-Q205 PolarHBondContact OG-N 3.47Å; S202-Q205 VanDerWaalsContact OG-N 3.12Å; S202-V206 PolarHBondContact O-N 3.08Å; S202-V206 VanDerWaalsContact O-N 3.07Å
203L98.5Very high98.3Very high53 Ų5371.5 Ų71.528%0.27735%0.345SS..Hα-helixtrans-56.3-39.9174.7179.660.7000111.7A179 K180 W183 V206 M207A179-L203 HydrophobicContact CB-CD1 3.71Å; K180-L203 HydrophobicContact CB-CD1 4.49Å; K180-L203 HydrophobicContact CG-CD1 3.88Å; K180-L203 HydrophobicContact CG-CD2 3.98Å; W183-L203 HydrophobicContact CB-CD1 4.36Å; L203-V206 WeakPolarHBondContact O-CB 3.04Å; L203-V206 PolarHBondContact O-N 2.89Å; L203-M207 HydrophobicContact CD1-CG 4.41Å; L203-M207 HydrophobicContact CD1-SD 4.44Å; L203-M207 HydrophobicContact CG-SD 4.2Å; L203-M207 WeakPolarHBondContact O-CG 3.24Å; L203-M207 PolarHBondContact O-N 3.47Å
204E98.6Very high98.3Very high135 Ų13571 Ų7163%0.63134%0.338SS*.Hα-helixtrans-63-42.2176.8-175.7-179.7-176.900111.9S202 V206 M207 N208S202-E204 PolarHBondContact O-N 2.97Å; E204-V206 VanDerWaalsContact C-N 3.31Å; E204-V206 PolarHBondContact O-N 3.25Å; E204-M207 PolarHBondContact O-N 3.29Å; E204-N208 VanDerWaalsContact CG-ND2 3.3Å; E204-N208 WeakPolarHBondContact CG-ND2 3.39Å; E204-N208 VanDerWaalsContact O-CB 3.29Å; E204-N208 WeakPolarHBondContact O-CB 3.37Å; E204-N208 PolarHBondContact O-N 2.9Å; E204-N208 PolarHBondContact O-ND2 3.41Å
205Q98.7Very high98.3Very high104 Ų10469 Ų6949%0.48633%0.331SS..Hα-helixtrans-61.9-39.7175.2-75.5171.7-33.700111.7Y201 S202 S209Y201-Q205 HydrophobicContact CD1-CB 4.5Å; S202-Q205 WeakPolarHBondContact O-CB 3.24Å; S202-Q205 PolarHBondContact O-N 3.24Å; S202-Q205 VanDerWaalsContact O-N 3.13Å; S202-Q205 WeakPolarHBondContact OG-CG 3.39Å; S202-Q205 PolarHBondContact OG-N 3.47Å; S202-Q205 VanDerWaalsContact OG-N 3.12Å; Q205-S209 WeakPolarHBondContact O-CB 3.15Å; Q205-S209 PolarHBondContact O-N 3.33Å
206V98.8Very high98.3Very high0 Ų069 Ų690%033%0.331CS..Hα-helixtrans-62-50.2175.1174.60000110.7A179 A182 W183 S202 L203 E204 N208 S209 T217 L219 Q220A179-V206 HydrophobicContact CB-CG1 4.05Å; A182-V206 HydrophobicContact CB-CG1 3.86Å; W183-V206 HydrophobicContact CB-CG2 4.4Å; S202-V206 PolarHBondContact O-N 3.08Å; S202-V206 VanDerWaalsContact O-N 3.07Å; L203-V206 WeakPolarHBondContact O-CB 3.04Å; L203-V206 PolarHBondContact O-N 2.89Å; E204-V206 VanDerWaalsContact C-N 3.31Å; E204-V206 PolarHBondContact O-N 3.25Å; V206-N208 VanDerWaalsContact C-N 3.35Å; V206-N208 PolarHBondContact O-N 3.23Å; V206-S209 PolarHBondContact O-N 2.96Å; V206-S209 PolarHBondContact O-OG 3.32Å; V206-T217 WeakPolarHBondContact O-CB 3.29Å; V206-T217 PolarHBondContact O-OG1 3.14Å; V206-L219 HydrophobicContact CG1-CB 4.33Å; V206-L219 HydrophobicContact CG2-CB 4.33Å; V206-L219 HydrophobicContact CG2-CD1 4.28Å; V206-Q220 HydrophobicContact CG1-CG 3.83Å
207M98.4Very high98.3Very high71 Ų7168.1 Ų68.135%0.3533%0.328SS..Hα-helixtrans-65.7-33.1-178.6-70.2-177.769.600113.6E176 A179 L203 E204 T217E176-M207 HydrophobicContact CG-CE 3.78Å; E176-M207 HydrophobicContact CG-SD 4.11Å; A179-M207 HydrophobicContact CB-CG 3.47Å; A179-M207 VanDerWaalsContact CB-CG 3.47Å; A179-M207 HydrophobicContact CB-SD 4.34Å; L203-M207 HydrophobicContact CD1-CG 4.41Å; L203-M207 HydrophobicContact CD1-SD 4.44Å; L203-M207 HydrophobicContact CG-SD 4.2Å; L203-M207 WeakPolarHBondContact O-CG 3.24Å; L203-M207 PolarHBondContact O-N 3.47Å; E204-M207 PolarHBondContact O-N 3.29Å; M207-T217 WeakPolarHBondContact O-CG2 3.32Å
208N98.4Very high98.3Very high118 Ų11868.3 Ų68.363%0.63133%0.332SS*.Hα-helixtrans-94.8-2.2-178.9-68.5-27.5000113.7E204 V206E204-N208 VanDerWaalsContact CG-ND2 3.3Å; E204-N208 WeakPolarHBondContact CG-ND2 3.39Å; E204-N208 VanDerWaalsContact O-CB 3.29Å; E204-N208 WeakPolarHBondContact O-CB 3.37Å; E204-N208 PolarHBondContact O-N 2.9Å; E204-N208 PolarHBondContact O-ND2 3.41Å; V206-N208 VanDerWaalsContact C-N 3.35Å; V206-N208 PolarHBondContact O-N 3.23Å
209S98.5Very high98.3Very high24 Ų2466 Ų6617%0.16832%0.322CS..SBendtrans-65.7159.5174.468.70000111.5Q205 V206 K211 T217 L219Q205-S209 WeakPolarHBondContact O-CB 3.15Å; Q205-S209 PolarHBondContact O-N 3.33Å; V206-S209 PolarHBondContact O-N 2.96Å; V206-S209 PolarHBondContact O-OG 3.32Å; S209-K211 PolarHBondContact O-N 3.28Å; S209-K211 VanDerWaalsContact O-N 3.16Å; S209-T217 WeakPolarHBondContact O-CB 3.44Å; S209-T217 WeakPolarHBondContact O-CG2 3.46Å; S209-T217 WeakPolarHBondContact OG-CB 3.49Å; S209-T217 PolarHBondContact OG-OG1 3.22Å; S209-L219 PolarHBondContact OG-N 2.96Å
210R98.1Very high98.3Very high176 Ų17661.5 Ų61.566%0.66430%0.297SS*.PPolyproline II helixtrans-47.3122.6-173.6-179.3-179.167.6153.2-0.4111.9V212 T217 L218R210-V212 PolarHBondContact O-N 3.27Å; R210-T217 CarbonylContact O-C 3.52Å; R210-T217 WeakPolarHBondContact O-CA 3.47Å; R210-L218 HydrophobicContact CB-CB 4.27Å; R210-L218 WeakPolarHBondContact O-CB 3.48Å; R210-L218 PolarHBondContact O-N 2.89Å
211K98.3Very high98.4Very high141 Ų14157.3 Ų57.361%0.61328%0.279SS*.EExtended strand (participates in β ladder)trans-59.9132.4173.9179.5165.3170.91460111S209 D214S209-K211 PolarHBondContact O-N 3.28Å; S209-K211 VanDerWaalsContact O-N 3.16Å; K211-D214 WeakPolarHBondContact CD-O 3.35Å; K211-D214 WeakPolarHBondContact CE-O 3.43Å; K211-D214 PolarHBondContact NZ-O 2.97Å
212V97.9Very high98.3Very high35 Ų3556 Ų5621%0.21228%0.278CS..EExtended strand (participates in β ladder)trans-105.3-51.5175.3177.20000109.8P157 R210 L216 L218P157-V212 HydrophobicContact CB-CG1 3.8Å; P157-V212 HydrophobicContact CG-CG1 3.83Å; R210-V212 PolarHBondContact O-N 3.27Å; V212-L216 PolarHBondContact N-O 2.96Å; V212-L218 HydrophobicContact CG2-CB 4.29Å; V212-L218 HydrophobicContact CG2-CD1 4.3Å
213F98.3Very high98.2Very high21 Ų2154.8 Ų54.89%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-158.2125.7177177.1-107.3000110.6A151 A153 P157 Q158 N162 F215 L216A151-F213 HydrophobicContact CB-CD2 4.3Å; A151-F213 HydrophobicContact CB-CE2 3.88Å; A153-F213 HydrophobicContact CB-CD2 4.3Å; P157-F213 HydrophobicContact CB-CB 4.17Å; P157-F213 WeakPolarHBondContact O-CD1 3.23Å; Q158-F213 HydrophobicContact CB-CD1 4.49Å; Q158-F213 HydrophobicContact CB-CE1 4.28Å; Q158-F213 HydrophobicContact CB-CE2 4.39Å; Q158-F213 HydrophobicContact CB-CZ 4.22Å; Q158-F213 HydrophobicContact CG-CD1 4.35Å; Q158-F213 HydrophobicContact CG-CD2 3.7Å; Q158-F213 HydrophobicContact CG-CE1 4.38Å; Q158-F213 HydrophobicContact CG-CE2 3.73Å; Q158-F213 HydrophobicContact CG-CG 4.01Å; Q158-F213 HydrophobicContact CG-CZ 4.07Å; N162-F213 WeakPolarHBondContact OD1-CE1 3.4Å; N162-F213 WeakPolarHBondContact OD1-CZ 3.38Å; F213-F215 PolarHBondContact O-N 2.65Å; F213-F215 VanDerWaalsContact O-N 3.12Å; F213-L216 PolarHBondContact N-O 3.03Å; F213-L216 WeakPolarHBondContact O-CA 3.41Å; F213-L216 VanDerWaalsContact O-CB 3.32Å; F213-L216 WeakPolarHBondContact O-CB 3.12Å; F213-L216 PolarHBondContact O-N 3.3Å
214D97.2Very high98.1Very high64 Ų6453.5 Ų53.534%0.34226%0.263SS..THydrogen-bonded Turntrans48.8-113.9-178.4-155.5-41.5000113.5R165 K211R165-D214 WeakPolarHBondContact CD-OD2 3.45Å; R165-D214 IonicContact CZ-OD2 3.97Å; R165-D214 IonicContact NE-OD2 3.63Å; R165-D214 PolarHBondContact NE-OD2 3.29Å; K211-D214 WeakPolarHBondContact CD-O 3.35Å; K211-D214 WeakPolarHBondContact CE-O 3.43Å; K211-D214 PolarHBondContact NZ-O 2.97Å
215F98.3Very high98.1Very high22 Ų2247 Ų4710%0.09623%0.233CC..THydrogen-bonded Turntrans-86.1-13176.970-92.3000113.5G161 R165 M168 P175 F178 F213 T217 Q220 A307G161-F215 WeakPolarHBondContact O-CE1 3.21Å; R165-F215 HydrophobicContact CG-CD1 4.32Å; R165-F215 HydrophobicContact CG-CE1 4.1Å; M168-F215 HydrophobicContact CE-CD1 3.45Å; M168-F215 VanDerWaalsContact CE-CD1 3.45Å; M168-F215 HydrophobicContact CE-CE1 3.72Å; M168-F215 HydrophobicContact CE-CG 4.25Å; P175-F215 HydrophobicContact CB-CB 4.23Å; F178-F215 HydrophobicContact CB-CD2 4.03Å; F178-F215 HydrophobicContact CB-CE2 3.7Å; F178-F215 AromaticContact CD1-CE2 3.82Å; F178-F215 HydrophobicContact CD1-CE2 3.82Å; F178-F215 HydrophobicContact CD1-CZ 4.17Å; F178-F215 AromaticContact CD2-CD2 3.91Å; F178-F215 HydrophobicContact CD2-CD2 3.91Å; F178-F215 AromaticContact CD2-CE2 3.59Å; F178-F215 HydrophobicContact CD2-CE2 3.59Å; F178-F215 HydrophobicContact CD2-CZ 4.1Å; F178-F215 HydrophobicContact CE1-CE2 4.29Å; F178-F215 HydrophobicContact CE1-CZ 4.19Å; F178-F215 HydrophobicContact CE2-CE2 4.1Å; F178-F215 HydrophobicContact CE2-CZ 4.14Å; F178-F215 HydrophobicContact CG-CD2 4.02Å; F178-F215 AromaticContact CG-CE2 3.41Å; F178-F215 HydrophobicContact CG-CE2 3.41Å; F178-F215 VanDerWaalsContact CG-CE2 3.41Å; F178-F215 HydrophobicContact CG-CZ 4.11Å; F178-F215 HydrophobicContact CZ-CE2 4.42Å; F178-F215 HydrophobicContact CZ-CZ 4.18Å; F213-F215 PolarHBondContact O-N 2.65Å; F213-F215 VanDerWaalsContact O-N 3.12Å; F215-T217 PolarHBondContact O-N 2.76Å; F215-Q220 PolarHBondContact O-NE2 3.46Å; F215-A307 HydrophobicContact CE2-CB 4.46Å; F215-A307 HydrophobicContact CZ-CB 4.06Å
216L98.6Very high98.1Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-75118.1178.3-68.8175.3000110V212 F213 Q220 F305 S306 A307V212-L216 PolarHBondContact N-O 2.96Å; F213-L216 PolarHBondContact N-O 3.03Å; F213-L216 WeakPolarHBondContact O-CA 3.41Å; F213-L216 VanDerWaalsContact O-CB 3.32Å; F213-L216 WeakPolarHBondContact O-CB 3.12Å; F213-L216 PolarHBondContact O-N 3.3Å; L216-Q220 HydrophobicContact CD2-CB 4.08Å; L216-F305 HydrophobicContact CD1-CB 4.41Å; L216-F305 HydrophobicContact CD1-CD1 4.04Å; L216-F305 HydrophobicContact CD1-CG 4.4Å; L216-F305 HydrophobicContact CD2-CB 4.46Å; L216-S306 WeakPolarHBondContact CD2-OG 3.4Å; L216-A307 HydrophobicContact CD2-CB 4.5Å
217T98.8Very high98.1Very high9 Ų943 Ų436%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-98.1167.3171.9620000110.8V206 M207 S209 R210 F215 L219 Q220 C221V206-T217 WeakPolarHBondContact O-CB 3.29Å; V206-T217 PolarHBondContact O-OG1 3.14Å; M207-T217 WeakPolarHBondContact O-CG2 3.32Å; S209-T217 WeakPolarHBondContact O-CB 3.44Å; S209-T217 WeakPolarHBondContact O-CG2 3.46Å; S209-T217 WeakPolarHBondContact OG-CB 3.49Å; S209-T217 PolarHBondContact OG-OG1 3.22Å; R210-T217 CarbonylContact O-C 3.52Å; R210-T217 WeakPolarHBondContact O-CA 3.47Å; F215-T217 PolarHBondContact O-N 2.76Å; T217-L219 VanDerWaalsContact C-N 3.26Å; T217-L219 PolarHBondContact O-N 2.97Å; T217-Q220 WeakPolarHBondContact O-CB 3.41Å; T217-Q220 PolarHBondContact O-N 3.29Å; T217-Q220 PolarHBondContact OG1-NE2 2.77Å; T217-C221 PolarHBondContact O-SG 3.11Å
218L98.3Very high98.1Very high77 Ų7739.6 Ų39.640%0.40320%0.198SC..G310 helixtrans-56.3-40.9-176.1-176.863.1000112.2R210 V212 Q220 C221R210-L218 HydrophobicContact CB-CB 4.27Å; R210-L218 WeakPolarHBondContact O-CB 3.48Å; R210-L218 PolarHBondContact O-N 2.89Å; V212-L218 HydrophobicContact CG2-CB 4.29Å; V212-L218 HydrophobicContact CG2-CD1 4.3Å; L218-Q220 PolarHBondContact O-N 3.38Å; L218-C221 PolarHBondContact O-N 3Å
219L98.7Very high98.1Very high29 Ų2934 Ų3415%0.15217%0.168CC..G310 helixtrans-73.5-6.2179.9-67.1178.6000113.7A182 H186 Y201 V206 S209 T217 I348A182-L219 WeakPolarHBondContact CB-O 3.37Å; H186-L219 PolarHBondContact NE2-O 2.89Å; Y201-L219 HydrophobicContact CD1-CD1 3.84Å; Y201-L219 HydrophobicContact CD2-CD1 4.11Å; Y201-L219 HydrophobicContact CD2-CD2 4.26Å; Y201-L219 HydrophobicContact CE1-CD1 4.16Å; Y201-L219 HydrophobicContact CE1-CD2 4.45Å; Y201-L219 HydrophobicContact CE2-CD1 4.41Å; Y201-L219 HydrophobicContact CE2-CD2 3.87Å; Y201-L219 HydrophobicContact CG-CD1 3.82Å; V206-L219 HydrophobicContact CG1-CB 4.33Å; V206-L219 HydrophobicContact CG2-CB 4.33Å; V206-L219 HydrophobicContact CG2-CD1 4.28Å; S209-L219 PolarHBondContact OG-N 2.96Å; T217-L219 VanDerWaalsContact C-N 3.26Å; T217-L219 PolarHBondContact O-N 2.97Å; L219-I348 WeakPolarHBondContact O-CG2 3.42Å
220Q98.8Very high98.2Very high3 Ų332.8 Ų32.81%0.01416%0.16CC..G310 helixtrans-97.71.1173.5-65.6-178.775.700113.4A182 V206 F215 L216 T217 L218 F305 S306A182-Q220 HydrophobicContact CB-CB 4.23Å; A182-Q220 HydrophobicContact CB-CG 3.67Å; V206-Q220 HydrophobicContact CG1-CG 3.83Å; F215-Q220 PolarHBondContact O-NE2 3.46Å; L216-Q220 HydrophobicContact CD2-CB 4.08Å; T217-Q220 WeakPolarHBondContact O-CB 3.41Å; T217-Q220 PolarHBondContact O-N 3.29Å; T217-Q220 PolarHBondContact OG1-NE2 2.77Å; L218-Q220 PolarHBondContact O-N 3.38Å; Q220-F305 WeakPolarHBondContact O-CA 3.22Å; Q220-S306 PolarHBondContact O-N 3.34Å; Q220-S306 VanDerWaalsContact O-N 3.13Å; Q220-S306 PolarHBondContact OE1-OG 2.75Å
221C98.6Very high98.2Very high18 Ų1824.4 Ų24.412%0.12213%0.128CC..BIsolated β-bridgetrans-113.8134.7-177.7-55.80000109.9T217 L218 F305T217-C221 PolarHBondContact O-SG 3.11Å; L218-C221 PolarHBondContact O-N 3Å; C221-F305 HydrophobicContact CB-CD1 3.87Å; C221-F305 HydrophobicContact CB-CE1 3.73Å
222C96.8Very high98.2Very high27 Ų2717.7 Ų17.718%0.18210%0.099CC..PPolyproline II helixtrans-63.5140.5172.768.60000111.4C304 L347 H352C222-C304 WeakPolarHBondContact CB-O 3.29Å; C222-C304 PolarHBondContact N-O 3.33Å; C222-C304 PolarHBondContact SG-O 3.28Å; C222-L347 HydrophobicContact CB-CB 3.97Å; C222-L347 WeakPolarHBondContact CB-O 3.4Å; C222-H352 HydrophobicContact CB-CB 4.09Å
223P96.8Very high98.3Very high24 Ų2416 Ų1616%0.1569%0.089CC..PPolyproline II helixtrans-76.3154.116934.9-37.4000110.7F197 I348 H352F197-P223 HydrophobicContact CD2-CG 4.06Å; F197-P223 HydrophobicContact CE2-CB 3.82Å; F197-P223 HydrophobicContact CE2-CG 3.55Å; F197-P223 HydrophobicContact CZ-CB 4.39Å; F197-P223 HydrophobicContact CZ-CG 4.47Å; P223-I348 WeakPolarHBondContact CD-O 3.22Å; P223-H352 PolarHBondContact O-N 3.1Å
224T96.5Very high98.3Very high25 Ų2515 Ų1515%0.1538%0.084CC..PPolyproline II helixtrans-65.6141.4158.450.20000109.7P24 M121 E122 G124 Q196P24-T224 WeakPolarHBondContact CD-O 3.33Å; M121-T224 HydrophobicContact CE-CG2 3.76Å; M121-T224 HydrophobicContact SD-CG2 4.34Å; E122-T224 PolarHBondContact O-OG1 3.07Å; G124-T224 WeakPolarHBondContact O-CG2 3.3Å; Q196-T224 PolarHBondContact OE1-O 2.87Å
225S97.9Very high98.4Very high0 Ų012.2 Ų12.20%07%0.07CC..  trans-146.6149.7-177.4-54.60000111.4D22 M121 Q196 G351 H352 P353D22-S225 CarbonylContact O-C 3.5Å; D22-S225 VanDerWaalsContact O-CA 3.24Å; D22-S225 WeakPolarHBondContact O-CA 3.37Å; D22-S225 WeakPolarHBondContact O-CB 3.42Å; M121-S225 WeakPolarHBondContact CG-O 3.44Å; Q196-S225 PolarHBondContact OE1-OG 3.31Å; S225-G351 WeakPolarHBondContact OG-CA 3.26Å; S225-H352 PolarHBondContact OG-N 3.05Å; S225-P353 WeakPolarHBondContact O-CA 3.3Å; S225-P353 WeakPolarHBondContact O-CB 3.49Å
226D98.3Very high98.4Very high18 Ų1814.1 Ų14.110%0.0968%0.079CC..BIsolated β-bridgetrans-90.9139.9166.6-64.1-15000108.5F21 D22 P24 G25 M35 E119 K120 M121F21-D226 WeakPolarHBondContact CA-O 3.37Å; D22-D226 PolarHBondContact N-O 3.32Å; D22-D226 PolarHBondContact O-N 3.36Å; P24-D226 VanDerWaalsContact CA-OD2 3.31Å; P24-D226 WeakPolarHBondContact CA-OD2 3.03Å; G25-D226 PolarHBondContact N-OD2 2.96Å; G25-D226 VanDerWaalsContact N-OD2 3.15Å; M35-D226 HydrophobicContact CE-CB 4.35Å; M35-D226 HydrophobicContact SD-CB 3.93Å; E119-D226 WeakPolarHBondContact O-CA 3.24Å; K120-D226 WeakPolarHBondContact CA-OD1 3.33Å; M121-D226 PolarHBondContact N-OD1 3.05Å
227G98.5Very high98.4Very high0 Ų017.2 Ų17.20%011%0.105CC..EExtended strand (participates in β ladder)trans171.7169.7173.900000114.6T19 M35 F118 E119T19-G227 VanDerWaalsContact OG1-CA 3.28Å; T19-G227 WeakPolarHBondContact OG1-CA 3.29Å; M35-G227 VanDerWaalsContact SD-CA 3.59Å; M35-G227 PolarHBondContact SD-N 3.38Å; F118-G227 CarbonylContact C-O 3.49Å; F118-G227 VanDerWaalsContact CA-O 3.31Å; F118-G227 WeakPolarHBondContact CA-O 3.49Å; E119-G227 PolarHBondContact N-O 2.95Å; E119-G227 PolarHBondContact O-N 2.94Å; E119-G227 VanDerWaalsContact O-N 3.1Å
228A98.9Very high98.4Very high0 Ų017.6 Ų17.60%011%0.105CC..EExtended strand (participates in β ladder)trans-134.8153175.200000112.6M18 T19 M35 A39 G117 F118M18-A228 CarbonylContact C-O 3.53Å; M18-A228 VanDerWaalsContact CA-O 3.26Å; M18-A228 WeakPolarHBondContact CA-O 3.32Å; M18-A228 WeakPolarHBondContact CB-O 3.4Å; T19-A228 HydrophobicContact CG2-CB 4.07Å; T19-A228 PolarHBondContact N-O 3.48Å; T19-A228 PolarHBondContact OG1-N 3.48Å; M35-A228 VanDerWaalsContact C-CB 3.5Å; M35-A228 HydrophobicContact CB-CB 3.79Å; M35-A228 WeakPolarHBondContact O-CB 3.23Å; A39-A228 HydrophobicContact CB-CB 3.71Å; G117-A228 CarbonylContact O-C 3.48Å; G117-A228 WeakPolarHBondContact O-CA 3.35Å; G117-A228 WeakPolarHBondContact O-CB 3.3Å; F118-A228 HydrophobicContact CB-CB 3.75Å
229G98.9Very high98.4Very high0 Ų013.9 Ų13.90%09%0.086CC..EExtended strand (participates in β ladder)trans-137.4150.6171.900000110.4G17 G117 L359G17-G229 CarbonylContact O-C 3.58Å; G17-G229 WeakPolarHBondContact O-CA 3.18Å; G117-G229 PolarHBondContact N-O 2.8Å; G117-G229 PolarHBondContact O-N 3.47Å; G117-G229 VanDerWaalsContact O-O 3.09Å; G229-L359 VanDerWaalsContact O-CD1 3.24Å; G229-L359 WeakPolarHBondContact O-CD1 3.39Å
230A98.9Very high98.3Very high0 Ų017.5 Ų17.50%010%0.098CC..EExtended strand (participates in β ladder)trans-146.6147.9179.800000111.5V16 G17 A39 A43 L114 A115 L116V16-A230 WeakPolarHBondContact CA-O 3.44Å; G17-A230 PolarHBondContact N-O 2.95Å; G17-A230 PolarHBondContact O-N 3.08Å; A39-A230 HydrophobicContact CB-CB 4.22Å; A43-A230 HydrophobicContact CB-CB 3.78Å; L114-A230 HydrophobicContact CD1-CB 4.31Å; A115-A230 CarbonylContact O-C 3.56Å; A115-A230 VanDerWaalsContact O-CA 3.24Å; A115-A230 WeakPolarHBondContact O-CA 3.29Å; L116-A230 HydrophobicContact CD1-CB 3.89Å
231A99Very high98.3Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-137.6136.5174.200000110.1V13 G15 V16 L98 A115 L233 L359V13-A231 HydrophobicContact CG1-CB 4.19Å; G15-A231 CarbonylContact O-C 3.59Å; G15-A231 WeakPolarHBondContact O-CA 3.35Å; V16-A231 HydrophobicContact CG1-CB 4.34Å; L98-A231 HydrophobicContact CD1-CB 4.35Å; A115-A231 PolarHBondContact N-O 3.04Å; A115-A231 PolarHBondContact O-N 3.11Å; A231-L233 HydrophobicContact CB-CD1 4.08Å; A231-L359 HydrophobicContact CB-CD2 3.94Å
232V98.9Very high98.1Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-99.4122.2171.61800000108.2V13 I14 G15 A43 L44 A47 I49 I54 L114V13-V232 WeakPolarHBondContact CA-O 3.25Å; I14-V232 HydrophobicContact CD1-CG1 3.75Å; I14-V232 HydrophobicContact CG1-CB 4.06Å; I14-V232 HydrophobicContact CG1-CG1 3.66Å; I14-V232 WeakPolarHBondContact CG1-O 2.97Å; I14-V232 PolarHBondContact N-O 2.74Å; G15-V232 PolarHBondContact O-N 3.4Å; A43-V232 HydrophobicContact CB-CG2 4.21Å; L44-V232 HydrophobicContact CD2-CG2 4.16Å; A47-V232 HydrophobicContact CB-CB 4.05Å; A47-V232 HydrophobicContact CB-CG1 4.16Å; A47-V232 HydrophobicContact CB-CG2 4.1Å; I49-V232 HydrophobicContact CD1-CG1 3.67Å; I54-V232 HydrophobicContact CD1-CG1 4.09Å; L114-V232 HydrophobicContact CD1-CG2 4.31Å
233L98.9Very high98.1Very high0 Ų036.7 Ų36.70%017%0.171CC..EExtended strand (participates in β ladder)trans-107.7142.6179.6-69.783.6000109.5V11 F12 V13 L98 A101 R102 I105 C112 V113 A115 A231 I251V11-L233 HydrophobicContact CG1-CB 4.36Å; V11-L233 HydrophobicContact CG1-CD2 3.96Å; F12-L233 CarbonylContact O-C 3.5Å; F12-L233 VanDerWaalsContact O-CA 3.24Å; F12-L233 WeakPolarHBondContact O-CA 3.49Å; V13-L233 HydrophobicContact CG2-CG 4.35Å; L98-L233 HydrophobicContact CD1-CD1 3.67Å; L98-L233 HydrophobicContact CD1-CD2 3.83Å; L98-L233 HydrophobicContact CD1-CG 4.22Å; A101-L233 HydrophobicContact CB-CD1 3.97Å; A101-L233 HydrophobicContact CB-CD2 4.11Å; R102-L233 HydrophobicContact CB-CD2 3.98Å; I105-L233 HydrophobicContact CG1-CB 4.22Å; C112-L233 CarbonylContact C-O 3.41Å; C112-L233 WeakPolarHBondContact CA-O 3.24Å; V113-L233 PolarHBondContact N-O 3.27Å; V113-L233 PolarHBondContact O-N 2.91Å; A115-L233 HydrophobicContact CB-CD1 4.05Å; A231-L233 HydrophobicContact CB-CD1 4.08Å; L233-I251 HydrophobicContact CD2-CD1 3.89Å
234A98.9Very high98.1Very high0 Ų035.9 Ų35.90%017%0.165CC..EExtended strand (participates in β ladder)trans-143.6154.5-176.700000112.9F12 I14 D111 F238 V239F12-A234 PolarHBondContact N-O 2.9Å; F12-A234 PolarHBondContact O-N 3.32Å; I14-A234 HydrophobicContact CD1-CB 3.63Å; I14-A234 HydrophobicContact CG1-CB 3.94Å; I14-A234 HydrophobicContact CG2-CB 3.93Å; D111-A234 CarbonylContact O-C 3.57Å; D111-A234 WeakPolarHBondContact O-CA 3.2Å; A234-F238 HydrophobicContact CB-CB 4.11Å; A234-F238 HydrophobicContact CB-CD1 3.73Å; A234-F238 HydrophobicContact CB-CG 4.12Å; A234-V239 HydrophobicContact CB-CG2 4.32Å
235S98.8Very high98.1Very high5 Ų536.2 Ų36.24%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-75.3163.2171.9760000111.7D111 A237 F238 V239D111-S235 PolarHBondContact O-N 3.3Å; D111-S235 WeakPolarHBondContact OD1-CB 3.35Å; D111-S235 PolarHBondContact OD1-OG 3.36Å; S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.12Å; S235-A237 PolarHBondContact OG-N 3.48Å; S235-F238 PolarHBondContact O-N 3.45Å; S235-F238 PolarHBondContact OG-N 2.95Å; S235-F238 VanDerWaalsContact OG-N 3.15Å; S235-V239 WeakPolarHBondContact O-CG2 3.17Å; S235-V239 PolarHBondContact O-N 3.3Å
236E98.5Very high97.7Very high62 Ų6238.6 Ų38.629%0.2918%0.178SC..Hα-helixtrans-58.2-40.6173.1-175.1157.7-174.500111.7R10 F12 F238 V239 R240 F404R10-E236 WeakPolarHBondContact CD-OE2 3.28Å; R10-E236 IonicContact CZ-OE2 3.83Å; R10-E236 IonicContact NE-OE2 3.96Å; R10-E236 VanDerWaalsContact NH1-CD 3.3Å; R10-E236 IonicContact NH1-OE1 3.85Å; R10-E236 PolarHBondContact NH1-OE1 3.4Å; R10-E236 IonicContact NH1-OE2 3.15Å; R10-E236 PolarHBondContact NH1-OE2 2.87Å; F12-E236 HydrophobicContact CE2-CB 3.69Å; F12-E236 HydrophobicContact CE2-CG 4.32Å; F12-E236 HydrophobicContact CZ-CB 4.27Å; E236-F238 VanDerWaalsContact C-N 3.33Å; E236-F238 PolarHBondContact O-N 2.79Å; E236-V239 PolarHBondContact O-N 2.97Å; E236-R240 HydrophobicContact CG-CG 4.25Å; E236-R240 WeakPolarHBondContact O-CG 3.02Å; E236-R240 PolarHBondContact O-N 3.02Å; E236-R240 IonicContact OE1-NE 2.81Å; E236-F404 HydrophobicContact CG-CZ 4.14Å
237A98.1Very high97.5Very high65 Ų6538 Ų3854%0.53718%0.175SC..Hα-helixtrans-61.2-43.1179.200000111.4S235 K241S235-A237 VanDerWaalsContact C-N 3.26Å; S235-A237 PolarHBondContact O-N 3.12Å; S235-A237 PolarHBondContact OG-N 3.48Å; A237-K241 VanDerWaalsContact O-CB 3.22Å; A237-K241 WeakPolarHBondContact O-CB 3.44Å; A237-K241 PolarHBondContact O-N 3.15Å
238F98.6Very high97.5Very high16 Ų1638 Ų387%0.0718%0.175CC..Hα-helixtrans-63.5-46.4174.9-167.9-80.1000111.5I14 I49 A53 D111 C112 A234 S235 E236 R240 K241 H242 L244I14-F238 HydrophobicContact CD1-CD1 4.18Å; I14-F238 HydrophobicContact CD1-CE1 3.9Å; I49-F238 HydrophobicContact CD1-CZ 4.36Å; I49-F238 HydrophobicContact CG2-CE1 4.1Å; I49-F238 HydrophobicContact CG2-CZ 4.15Å; A53-F238 HydrophobicContact CB-CZ 4.3Å; D111-F238 HydrophobicContact CB-CB 4.29Å; D111-F238 HydrophobicContact CB-CD2 4.17Å; C112-F238 HydrophobicContact CB-CD2 3.85Å; C112-F238 HydrophobicContact CB-CE1 4.38Å; C112-F238 HydrophobicContact CB-CE2 3.56Å; C112-F238 HydrophobicContact CB-CG 4.37Å; C112-F238 HydrophobicContact CB-CZ 3.86Å; A234-F238 HydrophobicContact CB-CB 4.11Å; A234-F238 HydrophobicContact CB-CD1 3.73Å; A234-F238 HydrophobicContact CB-CG 4.12Å; S235-F238 PolarHBondContact O-N 3.45Å; S235-F238 PolarHBondContact OG-N 2.95Å; S235-F238 VanDerWaalsContact OG-N 3.15Å; E236-F238 VanDerWaalsContact C-N 3.33Å; E236-F238 PolarHBondContact O-N 2.79Å; F238-R240 PolarHBondContact O-N 3.13Å; F238-K241 PolarHBondContact O-N 3.4Å; F238-H242 AromaticContact CD1-CD2 3.67Å; F238-H242 AromaticContact CD2-CD2 3.93Å; F238-H242 HydrophobicContact CE1-CB 4.33Å; F238-H242 AromaticContact CE1-CD2 3.51Å; F238-H242 AromaticContact CE1-CG 3.87Å; F238-H242 AromaticContact CE2-CD2 3.78Å; F238-H242 AromaticContact CE2-NE2 3.62Å; F238-H242 AromaticContact CG-CD2 3.88Å; F238-H242 AromaticContact CZ-CD2 3.57Å; F238-H242 AromaticContact CZ-NE2 3.62Å; F238-H242 WeakPolarHBondContact O-CB 3.38Å; F238-H242 PolarHBondContact O-CD2 3.41Å; F238-H242 VanDerWaalsContact O-CD2 3.27Å; F238-H242 PolarHBondContact O-N 3.01Å; F238-L244 HydrophobicContact CE1-CD1 4.37Å
239V98.6Very high97.5Very high0 Ų038 Ų380%018%0.175CC..Hα-helixtrans-55.8-49.7177.4171.10000111.4F12 I14 A234 S235 E236 H242 R243 L244 E245 A248 F404F12-V239 HydrophobicContact CB-CG2 4.05Å; F12-V239 HydrophobicContact CD2-CG2 3.82Å; F12-V239 HydrophobicContact CG-CG2 4.02Å; I14-V239 HydrophobicContact CG2-CG2 3.66Å; A234-V239 HydrophobicContact CB-CG2 4.32Å; S235-V239 WeakPolarHBondContact O-CG2 3.17Å; S235-V239 PolarHBondContact O-N 3.3Å; E236-V239 PolarHBondContact O-N 2.97Å; V239-H242 CarbonylContact O-C 3.59Å; V239-H242 PolarHBondContact O-N 2.91Å; V239-R243 PolarHBondContact O-N 3.12Å; V239-L244 HydrophobicContact CG1-CB 4.19Å; V239-L244 PolarHBondContact O-N 2.87Å; V239-E245 HydrophobicContact CG1-CG 4.05Å; V239-A248 HydrophobicContact CG1-CB 3.97Å; V239-A248 HydrophobicContact CG2-CB 4.13Å; V239-F404 HydrophobicContact CB-CE2 4.49Å; V239-F404 HydrophobicContact CG1-CD2 4.33Å; V239-F404 HydrophobicContact CG1-CE2 3.65Å; V239-F404 HydrophobicContact CG1-CZ 4.23Å
240R97.4Very high97.5Very high104 Ų10439.5 Ų39.539%0.39218%0.182SC..Hα-helixtrans-64.8-43.5179.6-65-57.7-169.5171.40.7112.1E236 F238 H242 R243 E245 F404 E407E236-R240 HydrophobicContact CG-CG 4.25Å; E236-R240 WeakPolarHBondContact O-CG 3.02Å; E236-R240 PolarHBondContact O-N 3.02Å; E236-R240 IonicContact OE1-NE 2.81Å; F238-R240 PolarHBondContact O-N 3.13Å; R240-H242 VanDerWaalsContact C-N 3.27Å; R240-H242 PolarHBondContact O-N 3.16Å; R240-R243 PolarHBondContact O-N 3.33Å; R240-E245 WeakPolarHBondContact CD-OE1 3.46Å; R240-E245 IonicContact CZ-OE1 2.95Å; R240-E245 IonicContact NE-OE1 3.72Å; R240-E245 VanDerWaalsContact NH1-CG 3.35Å; R240-E245 IonicContact NH1-OE1 3.24Å; R240-E245 PolarHBondContact NH1-OE1 3.17Å; R240-F404 VanDerWaalsContact CZ-CE1 3.45Å; R240-F404 VanDerWaalsContact NH2-CD1 3.31Å; R240-E407 IonicContact NH1-OE1 3.9Å
241K97.4Very high97.5Very high166 Ų16640.1 Ų40.172%0.72219%0.185SC*.Hα-helixtrans-60-38.7178180-177.4176.2-173.20112A237 F238A237-K241 VanDerWaalsContact O-CB 3.22Å; A237-K241 WeakPolarHBondContact O-CB 3.44Å; A237-K241 PolarHBondContact O-N 3.15Å; F238-K241 PolarHBondContact O-N 3.4Å
242H96.3Very high97.5Very high75 Ų7542.1 Ų42.135%0.34720%0.197SC..Hα-helixtrans-97.42.1-176.9-70.5-87.5000114.2F238 V239 R240 L244F238-H242 AromaticContact CD1-CD2 3.67Å; F238-H242 AromaticContact CD2-CD2 3.93Å; F238-H242 HydrophobicContact CE1-CB 4.33Å; F238-H242 AromaticContact CE1-CD2 3.51Å; F238-H242 AromaticContact CE1-CG 3.87Å; F238-H242 AromaticContact CE2-CD2 3.78Å; F238-H242 AromaticContact CE2-NE2 3.62Å; F238-H242 AromaticContact CG-CD2 3.88Å; F238-H242 AromaticContact CZ-CD2 3.57Å; F238-H242 AromaticContact CZ-NE2 3.62Å; F238-H242 WeakPolarHBondContact O-CB 3.38Å; F238-H242 PolarHBondContact O-CD2 3.41Å; F238-H242 VanDerWaalsContact O-CD2 3.27Å; F238-H242 PolarHBondContact O-N 3.01Å; V239-H242 CarbonylContact O-C 3.59Å; V239-H242 PolarHBondContact O-N 2.91Å; R240-H242 VanDerWaalsContact C-N 3.27Å; R240-H242 PolarHBondContact O-N 3.16Å; H242-L244 HydrophobicContact CB-CD1 3.83Å; H242-L244 HydrophobicContact CB-CG 3.84Å
243R95.7Very high97.5Very high210 Ų21042.5 Ų42.579%0.79220%0.2SC*.THydrogen-bonded Turntrans5646.5179.7-56.2-178.9-179.3180-0.6113.4V239 R240 E245V239-R243 PolarHBondContact O-N 3.12Å; R240-R243 PolarHBondContact O-N 3.33Å; R243-E245 WeakPolarHBondContact CA-OE2 3.47Å
244L96.4Very high97.5Very high7 Ų742.7 Ų42.74%0.03720%0.201CC..  trans-10213.1-175-60176.6000113.5I14 F238 V239 H242 N246 Q247 A248I14-L244 HydrophobicContact CB-CD1 4.23Å; I14-L244 HydrophobicContact CD1-CD1 3.62Å; I14-L244 HydrophobicContact CG2-CD1 4.41Å; F238-L244 HydrophobicContact CE1-CD1 4.37Å; V239-L244 HydrophobicContact CG1-CB 4.19Å; V239-L244 PolarHBondContact O-N 2.87Å; H242-L244 HydrophobicContact CB-CD1 3.83Å; H242-L244 HydrophobicContact CB-CG 3.84Å; L244-N246 PolarHBondContact O-N 3.31Å; L244-N246 VanDerWaalsContact O-N 3.17Å; L244-Q247 HydrophobicContact CB-CG 4.35Å; L244-Q247 WeakPolarHBondContact O-CG 3.21Å; L244-Q247 PolarHBondContact O-N 3.39Å; L244-Q247 VanDerWaalsContact O-N 3.17Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.34Å; L244-A248 VanDerWaalsContact O-N 3.11Å
245E97.5Very high97.5Very high33 Ų3345.3 Ų45.315%0.15421%0.213CC..THydrogen-bonded Turntrans-55.5-36.8-174.3-68.995.8147.300113.6V239 R240 R243 Q247 F404 E407V239-E245 HydrophobicContact CG1-CG 4.05Å; R240-E245 WeakPolarHBondContact CD-OE1 3.46Å; R240-E245 IonicContact CZ-OE1 2.95Å; R240-E245 IonicContact NE-OE1 3.72Å; R240-E245 VanDerWaalsContact NH1-CG 3.35Å; R240-E245 IonicContact NH1-OE1 3.24Å; R240-E245 PolarHBondContact NH1-OE1 3.17Å; R243-E245 WeakPolarHBondContact CA-OE2 3.47Å; E245-Q247 PolarHBondContact O-N 3.45Å; E245-F404 HydrophobicContact CB-CB 3.83Å; E245-F404 HydrophobicContact CB-CD2 3.78Å; E245-F404 HydrophobicContact CB-CG 3.77Å; E245-F404 HydrophobicContact CG-CB 4.36Å; E245-F404 HydrophobicContact CG-CD1 4.14Å; E245-F404 HydrophobicContact CG-CD2 3.9Å; E245-F404 HydrophobicContact CG-CE1 4.47Å; E245-F404 HydrophobicContact CG-CE2 4.24Å; E245-F404 HydrophobicContact CG-CG 3.84Å; E245-E407 HydrophobicContact CB-CB 4.2Å
246N89.4Confident97.5Very high49 Ų4947.4 Ų47.426%0.26222%0.223SC..THydrogen-bonded Turntrans-68.2-18.6-176.764.8-18.6000114.8L244 M402 V411L244-N246 PolarHBondContact O-N 3.31Å; L244-N246 VanDerWaalsContact O-N 3.17Å; N246-M402 WeakPolarHBondContact O-CE 2.95Å; N246-V411 HydrophobicContact CB-CB 3.98Å; N246-V411 HydrophobicContact CB-CG1 4.36Å; N246-V411 HydrophobicContact CB-CG2 3.6Å
247Q93.9Very high97.5Very high7 Ų744.9 Ų44.93%0.03321%0.212CC..THydrogen-bonded Turntrans-120.1-6-17963.4-174.963.800113I14 D46 L244 E245 V249I14-Q247 PolarHBondContact O-NE2 3.02Å; D46-Q247 PolarHBondContact O-NE2 3.1Å; L244-Q247 HydrophobicContact CB-CG 4.35Å; L244-Q247 WeakPolarHBondContact O-CG 3.21Å; L244-Q247 PolarHBondContact O-N 3.39Å; L244-Q247 VanDerWaalsContact O-N 3.17Å; E245-Q247 PolarHBondContact O-N 3.45Å; Q247-V249 PolarHBondContact O-N 3.31Å
248A98.5Very high97.5Very high0 Ų045.9 Ų45.90%021%0.211CC..  trans-72.1108.3-177.700000111.2F12 I14 V239 L244 G403 F404F12-A248 HydrophobicContact CB-CB 3.95Å; F12-A248 HydrophobicContact CD1-CB 3.95Å; F12-A248 HydrophobicContact CG-CB 4.1Å; I14-A248 HydrophobicContact CG2-CB 4.24Å; V239-A248 HydrophobicContact CG1-CB 3.97Å; V239-A248 HydrophobicContact CG2-CB 4.13Å; L244-A248 WeakPolarHBondContact O-CB 3.37Å; L244-A248 PolarHBondContact O-N 3.34Å; L244-A248 VanDerWaalsContact O-N 3.11Å; A248-G403 PolarHBondContact O-N 3.27Å; A248-F404 HydrophobicContact CB-CD2 3.98Å; A248-F404 HydrophobicContact CB-CE2 3.97Å
249V98.9Very high97.5Very high0 Ų046.7 Ų46.70%022%0.216CC..EExtended strand (participates in β ladder)trans-92.9114.3173.7179.30000108.3F12 V13 Q247 C366 L369 R370 Y400 K401 M402F12-V249 CarbonylContact C-O 3.58Å; F12-V249 VanDerWaalsContact CA-O 3.27Å; F12-V249 WeakPolarHBondContact CA-O 3.49Å; V13-V249 HydrophobicContact CB-CB 4.49Å; V13-V249 PolarHBondContact N-O 2.92Å; V13-V249 PolarHBondContact O-N 2.96Å; Q247-V249 PolarHBondContact O-N 3.31Å; V249-C366 HydrophobicContact CG2-CB 4.13Å; V249-L369 HydrophobicContact CG1-CD1 3.72Å; V249-R370 HydrophobicContact CG2-CG 3.97Å; V249-Y400 HydrophobicContact CG1-CD1 4.02Å; V249-Y400 HydrophobicContact CG1-CG 4.33Å; V249-K401 CarbonylContact C-O 3.4Å; V249-M402 HydrophobicContact CG2-SD 3.74Å
250E98.9Very high97.5Very high31 Ų3150.3 Ų50.315%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-76.2134179.4-174.4170.4-167.200111.6R10 V11 F12 V252 Y400 K401R10-E250 WeakPolarHBondContact CG-OE1 3.49Å; R10-E250 IonicContact CZ-OE1 3.69Å; R10-E250 IonicContact CZ-OE2 3.47Å; R10-E250 VanDerWaalsContact NE-CD 3.35Å; R10-E250 IonicContact NE-OE1 2.79Å; R10-E250 PolarHBondContact NE-OE1 2.88Å; R10-E250 IonicContact NE-OE2 3.36Å; R10-E250 PolarHBondContact NE-OE2 3.28Å; R10-E250 IonicContact NH2-OE1 3.01Å; R10-E250 IonicContact NH2-OE2 3.33Å; R10-E250 PolarHBondContact NH2-OE2 2.95Å; V11-E250 WeakPolarHBondContact O-CA 3.34Å; F12-E250 HydrophobicContact CD1-CB 3.75Å; F12-E250 HydrophobicContact CD1-CG 4.26Å; F12-E250 HydrophobicContact CE1-CB 3.78Å; F12-E250 HydrophobicContact CE1-CG 4Å; E250-V252 HydrophobicContact CB-CG1 4.21Å; E250-V252 HydrophobicContact CG-CG1 3.86Å; E250-V252 PolarHBondContact O-N 3.18Å; E250-Y400 VanDerWaalsContact O-CA 3.27Å; E250-Y400 WeakPolarHBondContact O-CA 3.41Å; E250-K401 PolarHBondContact N-O 2.9Å; E250-K401 PolarHBondContact O-N 2.79Å; E250-K401 VanDerWaalsContact O-N 3.08Å
251I98.9Very high97.6Very high13 Ų1350 Ų507%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-82.497.4163.3-63.6172.9000107.3V11 V13 L98 R102 L233 Q254 T398 Y400V11-I251 PolarHBondContact O-N 3.31Å; V13-I251 HydrophobicContact CG2-CD1 4.02Å; V13-I251 HydrophobicContact CG2-CG1 4.17Å; L98-I251 HydrophobicContact CD1-CD1 4.44Å; R102-I251 HydrophobicContact CB-CD1 4.26Å; R102-I251 HydrophobicContact CG-CD1 4.05Å; R102-I251 HydrophobicContact CG-CG2 4.24Å; L233-I251 HydrophobicContact CD2-CD1 3.89Å; I251-Q254 HydrophobicContact CG2-CB 3.83Å; I251-T398 HydrophobicContact CB-CG2 4.46Å; I251-T398 HydrophobicContact CG1-CG2 4.24Å; I251-T398 HydrophobicContact CG2-CG2 3.58Å; I251-Y400 HydrophobicContact CD1-CE1 4.26Å; I251-Y400 HydrophobicContact CG1-CD1 3.86Å; I251-Y400 HydrophobicContact CG1-CE1 3.64Å
252V98.6Very high97.6Very high42 Ų4242.7 Ų42.726%0.25521%0.214SC..EExtended strand (participates in β ladder)trans-80.3-27.1-175.3-62.70000112.5E250 A289 I399 K401E250-V252 HydrophobicContact CB-CG1 4.21Å; E250-V252 HydrophobicContact CG-CG1 3.86Å; E250-V252 PolarHBondContact O-N 3.18Å; V252-A289 HydrophobicContact CG2-CB 4.06Å; V252-I399 HydrophobicContact CG2-CB 3.84Å; V252-I399 HydrophobicContact CG2-CG2 3.54Å; V252-I399 WeakPolarHBondContact CG2-O 3.31Å; V252-I399 PolarHBondContact N-O 2.85Å; V252-K401 HydrophobicContact CG1-CB 4.16Å; V252-K401 HydrophobicContact CG1-CD 4.21Å; V252-K401 HydrophobicContact CG1-CG 4.12Å; V252-K401 HydrophobicContact CG2-CG 4.32Å
253A98.8Very high97.7Very high8 Ų839.2 Ų39.27%0.06620%0.198CC..EExtended strand (participates in β ladder)trans-154.1145.6170.900000110.6C285 A288 A289 T398 I399A253-C285 HydrophobicContact CB-CB 4.04Å; A253-C285 VanDerWaalsContact CB-O 3.25Å; A253-C285 WeakPolarHBondContact CB-O 3.4Å; A253-A288 HydrophobicContact CB-CB 4.03Å; A253-A289 HydrophobicContact CB-CB 4.01Å; A253-T398 CarbonylContact O-C 3.55Å; A253-T398 WeakPolarHBondContact O-CA 3.3Å; A253-I399 PolarHBondContact O-N 2.91Å
254Q98.9Very high97.8Very high4 Ų433.5 Ų33.52%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-155.9129.9175.3-174.9-17962.700111.4F99 R102 I251 V396 V397 T398F99-Q254 HydrophobicContact CD2-CG 3.96Å; R102-Q254 PolarHBondContact NH2-O 3.48Å; I251-Q254 HydrophobicContact CG2-CB 3.83Å; Q254-V396 HydrophobicContact CG-CG1 4.02Å; Q254-V397 VanDerWaalsContact CA-O 3.29Å; Q254-V397 WeakPolarHBondContact CA-O 3.42Å; Q254-T398 HydrophobicContact CB-CG2 3.98Å; Q254-T398 HydrophobicContact CG-CG2 4.02Å; Q254-T398 WeakPolarHBondContact CG-OG1 3.36Å; Q254-T398 PolarHBondContact NE2-OG1 3.12Å
255E98.9Very high97.9Very high55 Ų5537.4 Ų37.426%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-135.5137.4-174.6-69.5-69.6152.400110.6A281 K284 C285 V396 V397E255-A281 HydrophobicContact CB-CB 4.4Å; E255-K284 HydrophobicContact CB-CB 4.41Å; E255-K284 HydrophobicContact CG-CB 3.64Å; E255-K284 HydrophobicContact CG-CD 4.33Å; E255-C285 PolarHBondContact N-SG 2.76Å; E255-V396 WeakPolarHBondContact O-CA 3.36Å; E255-V397 PolarHBondContact N-O 3.06Å; E255-V397 PolarHBondContact O-N 2.79Å
256M98.9Very high97.9Very high48 Ų4840.7 Ų40.724%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-111.9132.8170.5-177.1-177.2-70.900108.5T96 F99 A394 V395 V396T96-M256 HydrophobicContact CG2-CE 4.06Å; F99-M256 HydrophobicContact CB-CE 3.99Å; F99-M256 HydrophobicContact CD1-CE 3.85Å; F99-M256 HydrophobicContact CD2-CB 3.94Å; F99-M256 HydrophobicContact CD2-CE 4.36Å; F99-M256 HydrophobicContact CE1-CB 4.39Å; F99-M256 HydrophobicContact CE1-CE 4.41Å; F99-M256 HydrophobicContact CE2-CB 3.61Å; F99-M256 HydrophobicContact CG-CB 4.47Å; F99-M256 HydrophobicContact CG-CE 3.83Å; F99-M256 HydrophobicContact CZ-CB 3.87Å; M256-A394 HydrophobicContact CG-CB 4.06Å; M256-A394 HydrophobicContact SD-CB 4.25Å; M256-V395 VanDerWaalsContact CA-O 3.25Å; M256-V395 WeakPolarHBondContact CA-O 3.44Å; M256-V396 HydrophobicContact CB-CG2 4.22Å; M256-V396 HydrophobicContact CE-CG2 3.57Å; M256-V396 HydrophobicContact CG-CG2 4.05Å
257V98.9Very high98.3Very high9 Ų942.2 Ų42.26%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-133.3135.1178.8178.70000108.9F260 M277 L280 A281 A394 V395V257-F260 HydrophobicContact CG1-CE2 3.56Å; V257-F260 HydrophobicContact CG1-CZ 3.91Å; V257-M277 HydrophobicContact CB-CB 4.43Å; V257-M277 HydrophobicContact CG1-CB 4.05Å; V257-M277 HydrophobicContact CG1-CG 4.36Å; V257-M277 VanDerWaalsContact O-CE 3.3Å; V257-M277 WeakPolarHBondContact O-CE 3.44Å; V257-L280 HydrophobicContact CG1-CB 4.5Å; V257-L280 HydrophobicContact CG1-CD2 4.17Å; V257-L280 HydrophobicContact CG2-CB 4.49Å; V257-L280 HydrophobicContact CG2-CD2 4.32Å; V257-L280 HydrophobicContact CG2-CG 4.37Å; V257-A281 HydrophobicContact CB-CB 4.26Å; V257-A281 HydrophobicContact CG2-CB 3.74Å; V257-A394 WeakPolarHBondContact O-CA 3.47Å; V257-V395 HydrophobicContact CB-CG1 3.97Å; V257-V395 PolarHBondContact N-O 2.94Å; V257-V395 PolarHBondContact O-N 2.97Å
258T98.8Very high98.5Very high86 Ų8642 Ų4253%0.52823%0.23SC..EExtended strand (participates in β ladder)trans-104.2172.5175.6590000110.8G393 A394T258-G393 WeakPolarHBondContact CA-O 3.36Å; T258-A394 HydrophobicContact CG2-CB 4.21Å
259D98.6Very high98.5Very high33 Ų3342 Ų4218%0.17623%0.23CC..  trans-51149.7-177.4-69.6-87.4000115.3H140 T263 F264 M277 G393H140-D259 IonicContact CD2-OD1 2.75Å; H140-D259 IonicContact CE1-OD1 3.35Å; H140-D259 IonicContact CE1-OD2 2.73Å; H140-D259 IonicContact NE2-OD1 2.84Å; H140-D259 PolarHBondContact NE2-OD1 3.36Å; H140-D259 IonicContact NE2-OD2 3.49Å; H140-D259 PolarHBondContact NE2-OD2 2.79Å; D259-T263 HydrophobicContact CB-CG2 4.44Å; D259-T263 WeakPolarHBondContact OD1-CB 3.25Å; D259-T263 WeakPolarHBondContact OD1-CG2 3.49Å; D259-T263 PolarHBondContact OD1-OG1 3.01Å; D259-F264 HydrophobicContact CB-CE2 4.15Å; D259-F264 HydrophobicContact CB-CZ 4.44Å; D259-M277 HydrophobicContact CB-SD 4.39Å; D259-G393 PolarHBondContact OD2-N 3.2Å
260F98.2Very high98.5Very high77 Ų7742.5 Ų42.534%0.33823%0.232SC..  trans-109168.6172.4-72.4-76.3000110.5V257 S262 T263 D276 M277 L280V257-F260 HydrophobicContact CG1-CE2 3.56Å; V257-F260 HydrophobicContact CG1-CZ 3.91Å; F260-S262 PolarHBondContact O-N 3.28Å; F260-S262 VanDerWaalsContact O-N 3.11Å; F260-T263 VanDerWaalsContact O-CB 3.29Å; F260-T263 WeakPolarHBondContact O-CB 3.48Å; F260-T263 PolarHBondContact O-N 2.93Å; F260-T263 PolarHBondContact O-OG1 3.4Å; F260-D276 HydrophobicContact CD2-CB 4.33Å; F260-M277 HydrophobicContact CD2-CG 4.4Å; F260-L280 HydrophobicContact CE1-CD2 4.43Å; F260-L280 HydrophobicContact CE2-CD2 3.98Å; F260-L280 HydrophobicContact CZ-CD2 3.41Å; F260-L280 VanDerWaalsContact CZ-CD2 3.41Å
261P98.6Very high98.5Very high98 Ų9842.6 Ų42.664%0.63623%0.232SC*.Hα-helixtrans-52.6-30.1167.2-27.836.1000113.4T263 F264 S265P261-T263 PolarHBondContact O-N 2.71Å; P261-F264 PolarHBondContact O-N 3.32Å; P261-S265 WeakPolarHBondContact O-CB 3.47Å; P261-S265 PolarHBondContact O-N 3.05Å; P261-S265 PolarHBondContact O-OG 2.8Å
262S97.9Very high98.5Very high12 Ų1242 Ų428%0.08423%0.229CC..Hα-helixtrans-62.4-25.6178.259.70000113.7F260 F264 E266 K271 D276F260-S262 PolarHBondContact O-N 3.28Å; F260-S262 VanDerWaalsContact O-N 3.11Å; S262-F264 PolarHBondContact O-N 2.9Å; S262-E266 VanDerWaalsContact CB-CD 3.48Å; S262-E266 WeakPolarHBondContact CB-OE1 3.49Å; S262-K271 WeakPolarHBondContact O-CB 3.43Å; S262-D276 VanDerWaalsContact CB-OD2 3.27Å; S262-D276 WeakPolarHBondContact CB-OD2 3.27Å; S262-D276 PolarHBondContact OG-OD2 3Å
263T98.6Very high98.5Very high2 Ų240 Ų401%0.01222%0.217CC..Hα-helixtrans-56.3-40.6171.5-61.70000110.9D259 F260 P261 M272D259-T263 HydrophobicContact CB-CG2 4.44Å; D259-T263 WeakPolarHBondContact OD1-CB 3.25Å; D259-T263 WeakPolarHBondContact OD1-CG2 3.49Å; D259-T263 PolarHBondContact OD1-OG1 3.01Å; F260-T263 VanDerWaalsContact O-CB 3.29Å; F260-T263 WeakPolarHBondContact O-CB 3.48Å; F260-T263 PolarHBondContact O-N 2.93Å; F260-T263 PolarHBondContact O-OG1 3.4Å; P261-T263 PolarHBondContact O-N 2.71Å; T263-M272 HydrophobicContact CG2-CG 4.47Å
264F98.5Very high98.5Very high90 Ų9039.7 Ų39.740%0.39522%0.215SC..Hα-helixtrans-110.5-23.5-167.2-52.8-69000114.5K139 H140 V143 D259 P261 S262K139-F264 HydrophobicContact CB-CD1 4.1Å; K139-F264 HydrophobicContact CB-CE1 3.89Å; H140-F264 AromaticContact CE1-CE1 3.64Å; H140-F264 AromaticContact CE1-CZ 3.47Å; H140-F264 VanDerWaalsContact CE1-CZ 3.47Å; H140-F264 WeakPolarHBondContact CE1-CZ 3.32Å; H140-F264 AromaticContact CG-CE1 3.96Å; H140-F264 AromaticContact ND1-CE1 3.68Å; H140-F264 AromaticContact ND1-CZ 3.96Å; H140-F264 AromaticContact NE2-CE1 3.91Å; H140-F264 AromaticContact NE2-CZ 3.78Å; V143-F264 HydrophobicContact CG2-CD1 4.35Å; D259-F264 HydrophobicContact CB-CE2 4.15Å; D259-F264 HydrophobicContact CB-CZ 4.44Å; P261-F264 PolarHBondContact O-N 3.32Å; S262-F264 PolarHBondContact O-N 2.9Å
265S96.9Very high98.5Very high89 Ų8940.1 Ų40.162%0.62222%0.216SC*.Hα-helixtrans-106.4-14.9-168.361.30000115.3P261P261-S265 WeakPolarHBondContact O-CB 3.47Å; P261-S265 PolarHBondContact O-N 3.05Å; P261-S265 PolarHBondContact O-OG 2.8Å
266E98Very high98.5Very high101 Ų10138.3 Ų38.347%0.47221%0.208SC..SBendtrans-92.13.2-176.2-70.4-177.8-16300113.8S262 S268 K271S262-E266 VanDerWaalsContact CB-CD 3.48Å; S262-E266 WeakPolarHBondContact CB-OE1 3.49Å; E266-S268 PolarHBondContact O-N 3.03Å; E266-K271 IonicContact OE1-NZ 3.03Å; E266-K271 IonicContact OE2-NZ 3.8Å; E266-K271 PolarHBondContact OE2-NZ 3.47Å
267N97.5Very high98.5Very high81 Ų8136.2 Ų36.243%0.43320%0.198SC..  trans48.746.3-174.7-171.130.3000111.5R147R147-N267 WeakPolarHBondContact CB-OD1 3.45Å; R147-N267 WeakPolarHBondContact CD-O 3.42Å; R147-N267 PolarHBondContact NH1-O 3.34Å
268S98.7Very high98.5Very high4 Ų436 Ų363%0.02820%0.197CC..  trans-126.4123.8-175.6174.10000110.6E166 E266 I270 K271 M272E166-S268 WeakPolarHBondContact OE1-CB 3.33Å; E166-S268 PolarHBondContact OE1-OG 2.9Å; E166-S268 WeakPolarHBondContact OE2-CA 3.38Å; E166-S268 PolarHBondContact OE2-OG 2.88Å; E266-S268 PolarHBondContact O-N 3.03Å; S268-I270 PolarHBondContact OG-N 2.9Å; S268-K271 PolarHBondContact OG-N 3.36Å; S268-M272 VanDerWaalsContact O-CB 3.25Å; S268-M272 WeakPolarHBondContact O-CB 3.36Å; S268-M272 PolarHBondContact O-N 3.37Å
269C98.8Very high98.5Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-70-34.9173.1-72.10000111.5Y148 N162 A163 E166 K271 M272 V273Y148-C269 HydrophobicContact CE2-CB 4.46Å; N162-C269 HydrophobicContact CB-CB 4.15Å; A163-C269 HydrophobicContact CB-CB 4.16Å; E166-C269 WeakPolarHBondContact OE2-CA 3.31Å; E166-C269 PolarHBondContact OE2-N 2.95Å; C269-K271 VanDerWaalsContact C-N 3.34Å; C269-K271 PolarHBondContact O-N 3.46Å; C269-M272 PolarHBondContact O-N 2.87Å; C269-V273 WeakPolarHBondContact O-CG2 3.43Å; C269-V273 PolarHBondContact O-N 3.43Å
270I98.8Very high98.5Very high9 Ų937.6 Ų37.65%0.04619%0.194CC..Hα-helixtrans-58.2-46.5173.9-67172.9000110.6A163 E166 H167 S268 V273 Y275A163-I270 HydrophobicContact CB-CG1 4.22Å; A163-I270 WeakPolarHBondContact O-CG1 3.28Å; E166-I270 HydrophobicContact CB-CD1 4.1Å; E166-I270 HydrophobicContact CB-CG1 4.12Å; E166-I270 HydrophobicContact CG-CD1 3.75Å; E166-I270 HydrophobicContact CG-CG1 4.06Å; E166-I270 PolarHBondContact OE2-N 3.3Å; H167-I270 HydrophobicContact CB-CD1 4.04Å; S268-I270 PolarHBondContact OG-N 2.9Å; I270-V273 WeakPolarHBondContact O-CG2 3.45Å; I270-Y275 HydrophobicContact CG2-CD2 3.61Å; I270-Y275 HydrophobicContact CG2-CE2 4.45Å; I270-Y275 HydrophobicContact CG2-CG 3.68Å; I270-Y275 VanDerWaalsContact O-CB 3.23Å; I270-Y275 WeakPolarHBondContact O-CB 3.49Å; I270-Y275 PolarHBondContact O-N 3.3Å
271K98.8Very high98.5Very high33 Ų3333.9 Ų33.914%0.14318%0.178CC..Hα-helixtrans-70.2-41.5177.5-59-51.8-163.365.60112.1S262 E266 S268 C269 V273 G274 Y275 D276S262-K271 WeakPolarHBondContact O-CB 3.43Å; E266-K271 IonicContact OE1-NZ 3.03Å; E266-K271 IonicContact OE2-NZ 3.8Å; E266-K271 PolarHBondContact OE2-NZ 3.47Å; S268-K271 PolarHBondContact OG-N 3.36Å; C269-K271 VanDerWaalsContact C-N 3.34Å; C269-K271 PolarHBondContact O-N 3.46Å; K271-V273 VanDerWaalsContact C-N 3.27Å; K271-V273 PolarHBondContact O-N 3.33Å; K271-G274 WeakPolarHBondContact O-CA 3.25Å; K271-G274 PolarHBondContact O-N 2.92Å; K271-Y275 HydrophobicContact CD-CD1 4.41Å; K271-D276 WeakPolarHBondContact CD-OD2 3.41Å; K271-D276 WeakPolarHBondContact CE-OD1 3.26Å; K271-D276 WeakPolarHBondContact CE-OD2 3.19Å; K271-D276 IonicContact NZ-OD1 3.78Å; K271-D276 PolarHBondContact NZ-OD1 2.88Å; K271-D276 IonicContact NZ-OD2 3.29Å; K271-D276 PolarHBondContact NZ-OD2 3.36Å
272M98.8Very high98.6Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-59.6-36.3179.4179-81.7-66.400112.8H140 V143 M144 M159 T263 S268 C269 G274H140-M272 HydrophobicContact CB-CG 4.07Å; H140-M272 HydrophobicContact CB-SD 3.87Å; H140-M272 PolarHBondContact CD2-O 3.26Å; H140-M272 WeakPolarHBondContact O-CG 3.32Å; V143-M272 HydrophobicContact CB-CB 4.39Å; V143-M272 HydrophobicContact CB-CG 4.1Å; V143-M272 HydrophobicContact CG1-CB 4.07Å; V143-M272 HydrophobicContact CG1-CG 4.33Å; M144-M272 HydrophobicContact CB-CE 4.03Å; M159-M272 HydrophobicContact CB-CE 3.94Å; M159-M272 HydrophobicContact CE-CE 3.84Å; M159-M272 HydrophobicContact CE-SD 3.27Å; M159-M272 WeakPolarHBondContact CE-SD 3.27Å; M159-M272 HydrophobicContact CG-CE 4.05Å; T263-M272 HydrophobicContact CG2-CG 4.47Å; S268-M272 VanDerWaalsContact O-CB 3.25Å; S268-M272 WeakPolarHBondContact O-CB 3.36Å; S268-M272 PolarHBondContact O-N 3.37Å; C269-M272 PolarHBondContact O-N 2.87Å; M272-G274 PolarHBondContact O-N 2.86Å
273V98.8Very high98.6Very high1 Ų134.6 Ų34.61%0.00617%0.17CC..THydrogen-bonded Turntrans-81.56.6174.8-57.30000113.9M159 F160 A163 C269 I270 K271 I311 I389 L391M159-V273 HydrophobicContact CB-CG1 4.2Å; F160-V273 HydrophobicContact CD1-CB 3.88Å; F160-V273 HydrophobicContact CD1-CG1 3.86Å; F160-V273 HydrophobicContact CD1-CG2 4.14Å; F160-V273 HydrophobicContact CE1-CB 3.63Å; F160-V273 HydrophobicContact CE1-CG1 3.93Å; F160-V273 HydrophobicContact CE1-CG2 4.21Å; F160-V273 HydrophobicContact CG-CG1 4.37Å; F160-V273 HydrophobicContact CZ-CB 4.39Å; F160-V273 HydrophobicContact CZ-CG1 4.47Å; A163-V273 HydrophobicContact CB-CG1 4.35Å; A163-V273 HydrophobicContact CB-CG2 3.77Å; C269-V273 WeakPolarHBondContact O-CG2 3.43Å; C269-V273 PolarHBondContact O-N 3.43Å; I270-V273 WeakPolarHBondContact O-CG2 3.45Å; K271-V273 VanDerWaalsContact C-N 3.27Å; K271-V273 PolarHBondContact O-N 3.33Å; V273-I311 HydrophobicContact CG2-CD1 3.62Å; V273-I389 WeakPolarHBondContact O-CD1 3.27Å; V273-L391 HydrophobicContact CB-CD2 4.33Å
274G98.8Very high98.6Very high2 Ų238.2 Ų38.22%0.02119%0.186CC..THydrogen-bonded Turntrans100.818.9165.600000116.9K271 M272 D276 M277 S278K271-G274 WeakPolarHBondContact O-CA 3.25Å; K271-G274 PolarHBondContact O-N 2.92Å; M272-G274 PolarHBondContact O-N 2.86Å; G274-D276 VanDerWaalsContact C-N 3.33Å; G274-D276 PolarHBondContact O-N 3.46Å; G274-M277 WeakPolarHBondContact O-CB 3.32Å; G274-M277 PolarHBondContact O-N 3.22Å; G274-M277 VanDerWaalsContact O-N 3.07Å; G274-S278 PolarHBondContact O-N 3.42Å; G274-S278 PolarHBondContact O-OG 3.03Å
275Y98.9Very high98.6Very high13 Ų1334 Ų345%0.05117%0.167CC..Hα-helixtrans-51.4-46.7179.4-176.5-81.7000113.7I270 K271 M277 S278 R279 I311 E314 A315I270-Y275 HydrophobicContact CG2-CD2 3.61Å; I270-Y275 HydrophobicContact CG2-CE2 4.45Å; I270-Y275 HydrophobicContact CG2-CG 3.68Å; I270-Y275 VanDerWaalsContact O-CB 3.23Å; I270-Y275 WeakPolarHBondContact O-CB 3.49Å; I270-Y275 PolarHBondContact O-N 3.3Å; K271-Y275 HydrophobicContact CD-CD1 4.41Å; Y275-M277 VanDerWaalsContact C-N 3.33Å; Y275-M277 PolarHBondContact O-N 3.34Å; Y275-S278 PolarHBondContact O-N 2.98Å; Y275-R279 WeakPolarHBondContact O-CB 3.36Å; Y275-R279 PolarHBondContact O-N 2.83Å; Y275-I311 HydrophobicContact CD2-CB 4.26Å; Y275-I311 VanDerWaalsContact CE2-O 3.3Å; Y275-I311 WeakPolarHBondContact CE2-O 3.39Å; Y275-E314 HydrophobicContact CE2-CB 4.09Å; Y275-E314 WeakPolarHBondContact OH-CB 3.28Å; Y275-A315 HydrophobicContact CD2-CB 3.84Å; Y275-A315 HydrophobicContact CE1-CB 4.44Å; Y275-A315 HydrophobicContact CE2-CB 3.76Å; Y275-A315 HydrophobicContact CG-CB 4.23Å
276D98.8Very high98.7Very high17 Ų1730.3 Ų30.39%0.09114%0.14CC..Hα-helixtrans-68-33.6-179.8-79.4-22.1000112.5F260 S262 K271 G274 R279 L280F260-D276 HydrophobicContact CD2-CB 4.33Å; S262-D276 VanDerWaalsContact CB-OD2 3.27Å; S262-D276 WeakPolarHBondContact CB-OD2 3.27Å; S262-D276 PolarHBondContact OG-OD2 3Å; K271-D276 WeakPolarHBondContact CD-OD2 3.41Å; K271-D276 WeakPolarHBondContact CE-OD1 3.26Å; K271-D276 WeakPolarHBondContact CE-OD2 3.19Å; K271-D276 IonicContact NZ-OD1 3.78Å; K271-D276 PolarHBondContact NZ-OD1 2.88Å; K271-D276 IonicContact NZ-OD2 3.29Å; K271-D276 PolarHBondContact NZ-OD2 3.36Å; G274-D276 VanDerWaalsContact C-N 3.33Å; G274-D276 PolarHBondContact O-N 3.46Å; D276-R279 IonicContact OD1-CZ 2.72Å; D276-R279 IonicContact OD1-NE 3.65Å; D276-R279 IonicContact OD1-NH2 3.9Å; D276-R279 PolarHBondContact OD1-NH2 2.97Å; D276-L280 WeakPolarHBondContact O-CB 3.41Å; D276-L280 PolarHBondContact O-N 3.44Å
277M98.9Very high98.7Very high4 Ų431.4 Ų31.42%0.0215%0.145CC..Hα-helixtrans-63.5-51174.8-57.9160.854.200109.4V257 D259 F260 G274 Y275 R279 L280 A281 I389 G393 V395V257-M277 HydrophobicContact CB-CB 4.43Å; V257-M277 HydrophobicContact CG1-CB 4.05Å; V257-M277 HydrophobicContact CG1-CG 4.36Å; V257-M277 VanDerWaalsContact O-CE 3.3Å; V257-M277 WeakPolarHBondContact O-CE 3.44Å; D259-M277 HydrophobicContact CB-SD 4.39Å; F260-M277 HydrophobicContact CD2-CG 4.4Å; G274-M277 WeakPolarHBondContact O-CB 3.32Å; G274-M277 PolarHBondContact O-N 3.22Å; G274-M277 VanDerWaalsContact O-N 3.07Å; Y275-M277 VanDerWaalsContact C-N 3.33Å; Y275-M277 PolarHBondContact O-N 3.34Å; M277-R279 VanDerWaalsContact C-N 3.33Å; M277-R279 PolarHBondContact O-N 2.77Å; M277-L280 PolarHBondContact O-N 3.09Å; M277-A281 WeakPolarHBondContact O-CB 3.32Å; M277-A281 PolarHBondContact O-N 3.29Å; M277-I389 HydrophobicContact CE-CD1 4.45Å; M277-G393 WeakPolarHBondContact CE-O 3.3Å; M277-V395 HydrophobicContact CB-CB 4.41Å; M277-V395 HydrophobicContact CB-CG1 3.67Å; M277-V395 HydrophobicContact CE-CB 4.46Å; M277-V395 HydrophobicContact CE-CG1 4.47Å; M277-V395 WeakPolarHBondContact O-CG1 3.39Å
278S98.9Very high98.7Very high4 Ų430.8 Ų30.83%0.02815%0.151CC..Hα-helixtrans-59.4-44.1179-61.60000111.5G274 Y275 A281 A282 H387G274-S278 PolarHBondContact O-N 3.42Å; G274-S278 PolarHBondContact O-OG 3.03Å; Y275-S278 PolarHBondContact O-N 2.98Å; S278-A281 PolarHBondContact O-N 2.93Å; S278-A282 VanDerWaalsContact O-CB 3.3Å; S278-A282 WeakPolarHBondContact O-CB 3.38Å; S278-A282 PolarHBondContact O-N 3.33Å; S278-H387 WeakPolarHBondContact CB-NE2 3.49Å; S278-H387 PolarHBondContact OG-NE2 3.43Å
279R98.9Very high98.7Very high97 Ų9731.9 Ų31.937%0.36616%0.161SC..Hα-helixtrans-61.8-45.7178.2-175171.462.6171.61.1112.6Y275 D276 M277 K283 A315 E321Y275-R279 WeakPolarHBondContact O-CB 3.36Å; Y275-R279 PolarHBondContact O-N 2.83Å; D276-R279 IonicContact OD1-CZ 2.72Å; D276-R279 IonicContact OD1-NE 3.65Å; D276-R279 IonicContact OD1-NH2 3.9Å; D276-R279 PolarHBondContact OD1-NH2 2.97Å; M277-R279 VanDerWaalsContact C-N 3.33Å; M277-R279 PolarHBondContact O-N 2.77Å; R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.31Å; R279-K283 PolarHBondContact O-N 2.76Å; R279-A315 VanDerWaalsContact CA-O 3.25Å; R279-A315 WeakPolarHBondContact CA-O 3.49Å; R279-A315 HydrophobicContact CB-CB 4.43Å; R279-E321 IonicContact NH1-OE1 3.26Å; R279-E321 PolarHBondContact NH1-OE1 2.96Å
280L98.9Very high98.6Very high55 Ų5535.1 Ų35.129%0.28819%0.194SC..Hα-helixtrans-68.6-43.1178.5-176.764.7000112.1V257 F260 D276 M277 A282 K283 K284V257-L280 HydrophobicContact CG1-CB 4.5Å; V257-L280 HydrophobicContact CG1-CD2 4.17Å; V257-L280 HydrophobicContact CG2-CB 4.49Å; V257-L280 HydrophobicContact CG2-CD2 4.32Å; V257-L280 HydrophobicContact CG2-CG 4.37Å; F260-L280 HydrophobicContact CE1-CD2 4.43Å; F260-L280 HydrophobicContact CE2-CD2 3.98Å; F260-L280 HydrophobicContact CZ-CD2 3.41Å; F260-L280 VanDerWaalsContact CZ-CD2 3.41Å; D276-L280 WeakPolarHBondContact O-CB 3.41Å; D276-L280 PolarHBondContact O-N 3.44Å; M277-L280 PolarHBondContact O-N 3.09Å; L280-A282 PolarHBondContact O-N 3.35Å; L280-K283 PolarHBondContact O-N 2.94Å; L280-K284 HydrophobicContact CD1-CD 4.48Å; L280-K284 HydrophobicContact CD1-CG 4.25Å; L280-K284 HydrophobicContact CG-CD 4.29Å; L280-K284 HydrophobicContact CG-CG 4.44Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 WeakPolarHBondContact O-CG 3.33Å; L280-K284 PolarHBondContact O-N 3.13Å
281A98.9Very high98.6Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-60.7-45.7178.700000111.1E255 V257 M277 S278 C285 V395 V397E255-A281 HydrophobicContact CB-CB 4.4Å; V257-A281 HydrophobicContact CB-CB 4.26Å; V257-A281 HydrophobicContact CG2-CB 3.74Å; M277-A281 WeakPolarHBondContact O-CB 3.32Å; M277-A281 PolarHBondContact O-N 3.29Å; S278-A281 PolarHBondContact O-N 2.93Å; A281-C285 WeakPolarHBondContact O-CB 3.4Å; A281-C285 PolarHBondContact O-N 3.4Å; A281-C285 PolarHBondContact O-SG 2.96Å; A281-V395 HydrophobicContact CB-CG1 3.83Å; A281-V397 HydrophobicContact CB-CB 4.02Å; A281-V397 HydrophobicContact CB-CG2 3.64Å
282A98.9Very high98.6Very high2 Ų241.8 Ų41.82%0.01722%0.224CC..Hα-helixtrans-62.5-48.517600000112.1S278 L280 K284 C285 F286 L316S278-A282 VanDerWaalsContact O-CB 3.3Å; S278-A282 WeakPolarHBondContact O-CB 3.38Å; S278-A282 PolarHBondContact O-N 3.33Å; L280-A282 PolarHBondContact O-N 3.35Å; A282-K284 PolarHBondContact O-N 2.69Å; A282-C285 PolarHBondContact O-N 2.92Å; A282-C285 VanDerWaalsContact O-N 3.14Å; A282-F286 HydrophobicContact CB-CD2 4.4Å; A282-F286 HydrophobicContact CB-CE2 4.19Å; A282-F286 WeakPolarHBondContact O-CD2 2.94Å; A282-F286 PolarHBondContact O-N 3Å; A282-L316 HydrophobicContact CB-CD2 3.66Å
283K98.8Very high98.6Very high122 Ų12243.4 Ų43.453%0.5323%0.234SC..Hα-helixtrans-54.2-51.3177.2178177.8173.4179.60111.7R279 L280 C285 F286 E287R279-K283 VanDerWaalsContact O-CB 3.27Å; R279-K283 WeakPolarHBondContact O-CB 3.31Å; R279-K283 PolarHBondContact O-N 2.76Å; L280-K283 PolarHBondContact O-N 2.94Å; K283-C285 VanDerWaalsContact C-N 3.32Å; K283-C285 PolarHBondContact O-N 2.71Å; K283-F286 PolarHBondContact O-N 2.78Å; K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 HydrophobicContact CG-CG 4.5Å; K283-E287 IonicContact NZ-OE1 2.89Å; K283-E287 WeakPolarHBondContact O-CB 3.28Å; K283-E287 WeakPolarHBondContact O-CG 3.36Å; K283-E287 PolarHBondContact O-N 3.22Å
284K98.8Very high98.5Very high79 Ų7945.6 Ų45.634%0.34326%0.257SS..Hα-helixtrans-61.9-39178.6-74-179.1172.7-175.40112.2E255 L280 A282 A288E255-K284 HydrophobicContact CB-CB 4.41Å; E255-K284 HydrophobicContact CG-CB 3.64Å; E255-K284 HydrophobicContact CG-CD 4.33Å; L280-K284 HydrophobicContact CD1-CD 4.48Å; L280-K284 HydrophobicContact CD1-CG 4.25Å; L280-K284 HydrophobicContact CG-CD 4.29Å; L280-K284 HydrophobicContact CG-CG 4.44Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 WeakPolarHBondContact O-CG 3.33Å; L280-K284 PolarHBondContact O-N 3.13Å; A282-K284 PolarHBondContact O-N 2.69Å; K284-A288 VanDerWaalsContact O-CB 3.22Å; K284-A288 WeakPolarHBondContact O-CB 3.29Å; K284-A288 PolarHBondContact O-N 2.64Å
285C98.8Very high98.5Very high0 Ų049 Ų490%028%0.275CS..Hα-helixtrans-64.1-45.4176-81.50000112.4A253 E255 A281 A282 K283 A288 A289 V397 I399A253-C285 HydrophobicContact CB-CB 4.04Å; A253-C285 VanDerWaalsContact CB-O 3.25Å; A253-C285 WeakPolarHBondContact CB-O 3.4Å; E255-C285 PolarHBondContact N-SG 2.76Å; A281-C285 WeakPolarHBondContact O-CB 3.4Å; A281-C285 PolarHBondContact O-N 3.4Å; A281-C285 PolarHBondContact O-SG 2.96Å; A282-C285 PolarHBondContact O-N 2.92Å; A282-C285 VanDerWaalsContact O-N 3.14Å; K283-C285 VanDerWaalsContact C-N 3.32Å; K283-C285 PolarHBondContact O-N 2.71Å; C285-A288 PolarHBondContact O-N 3.06Å; C285-A289 VanDerWaalsContact O-CB 3.26Å; C285-A289 WeakPolarHBondContact O-CB 3.41Å; C285-A289 PolarHBondContact O-N 3.35Å; C285-V397 HydrophobicContact CB-CG1 4.16Å; C285-V397 PolarHBondContact SG-O 3.21Å; C285-I399 HydrophobicContact CB-CD1 3.79Å; C285-I399 HydrophobicContact CB-CG1 4.07Å
286F98.8Very high98.5Very high12 Ų1248.5 Ų48.55%0.05327%0.273CS..Hα-helixtrans-62.7-45.2176.7-75.2-55.1000111.9A282 K283 A289 G290 L291 P293 V296 L316 L385 I399A282-F286 HydrophobicContact CB-CD2 4.4Å; A282-F286 HydrophobicContact CB-CE2 4.19Å; A282-F286 WeakPolarHBondContact O-CD2 2.94Å; A282-F286 PolarHBondContact O-N 3Å; K283-F286 PolarHBondContact O-N 2.78Å; F286-A289 PolarHBondContact O-N 3.37Å; F286-G290 PolarHBondContact O-N 2.86Å; F286-L291 CarbonylContact C-O 3.52Å; F286-L291 WeakPolarHBondContact CB-O 3.17Å; F286-L291 HydrophobicContact CD1-CB 4.22Å; F286-L291 PolarHBondContact O-N 2.67Å; F286-P293 HydrophobicContact CD2-CG 4.02Å; F286-P293 HydrophobicContact CE2-CB 4.17Å; F286-P293 HydrophobicContact CE2-CG 3.71Å; F286-P293 HydrophobicContact CZ-CB 4.02Å; F286-P293 HydrophobicContact CZ-CG 4Å; F286-V296 HydrophobicContact CE1-CG2 3.69Å; F286-V296 HydrophobicContact CZ-CG2 3.98Å; F286-L316 WeakPolarHBondContact CE2-O 2.94Å; F286-L385 HydrophobicContact CE1-CD1 4.05Å; F286-L385 HydrophobicContact CE2-CD1 4.08Å; F286-L385 HydrophobicContact CZ-CD1 3.39Å; F286-I399 HydrophobicContact CD1-CD1 3.72Å; F286-I399 HydrophobicContact CE1-CD1 3.88Å; F286-I399 HydrophobicContact CG-CD1 4.35Å
287E98.6Very high98.4Very high124 Ų12450.3 Ų50.358%0.57928%0.283SS*.Hα-helixtrans-59.8-47.4175.1-73.4172.9176.500111.8K283 A289 G290K283-E287 WeakPolarHBondContact CE-OE1 3.48Å; K283-E287 HydrophobicContact CG-CG 4.5Å; K283-E287 IonicContact NZ-OE1 2.89Å; K283-E287 WeakPolarHBondContact O-CB 3.28Å; K283-E287 WeakPolarHBondContact O-CG 3.36Å; K283-E287 PolarHBondContact O-N 3.22Å; E287-A289 PolarHBondContact O-N 3.01Å; E287-G290 PolarHBondContact O-N 2.63Å
288A97.5Very high98.4Very high68 Ų6850.1 Ų50.156%0.56228%0.282SS*.Hα-helixtrans-66.9-35-179.900000113.1A253 K284 C285 G290A253-A288 HydrophobicContact CB-CB 4.03Å; K284-A288 VanDerWaalsContact O-CB 3.22Å; K284-A288 WeakPolarHBondContact O-CB 3.29Å; K284-A288 PolarHBondContact O-N 2.64Å; C285-A288 PolarHBondContact O-N 3.06Å; A288-G290 VanDerWaalsContact C-N 3.34Å
289A97.4Very high98.4Very high28 Ų2850 Ų5023%0.23128%0.281CS..Hα-helixtrans-81.2-12.7177.300000113.4V252 A253 C285 F286 E287 L291 I399V252-A289 HydrophobicContact CG2-CB 4.06Å; A253-A289 HydrophobicContact CB-CB 4.01Å; C285-A289 VanDerWaalsContact O-CB 3.26Å; C285-A289 WeakPolarHBondContact O-CB 3.41Å; C285-A289 PolarHBondContact O-N 3.35Å; F286-A289 PolarHBondContact O-N 3.37Å; E287-A289 PolarHBondContact O-N 3.01Å; A289-L291 VanDerWaalsContact C-N 3.27Å; A289-L291 HydrophobicContact CB-CB 4.25Å; A289-L291 HydrophobicContact CB-CD1 3.85Å; A289-L291 HydrophobicContact CB-CG 3.97Å; A289-L291 PolarHBondContact O-N 3.15Å; A289-I399 HydrophobicContact CB-CD1 4.26Å
290G97.9Very high98.4Very high67 Ų6745.3 Ų45.369%0.69126%0.263SS*.THydrogen-bonded Turntrans6433.2-171.300000112.8F286 E287 A288F286-G290 PolarHBondContact O-N 2.86Å; E287-G290 PolarHBondContact O-N 2.63Å; A288-G290 VanDerWaalsContact C-N 3.34Å
291L98.5Very high98.4Very high30 Ų3042.7 Ų42.716%0.15725%0.25CC..  trans-119.3166.4-176.9-65.8174.2000110.8F286 A289 D295 V383 I399F286-L291 CarbonylContact C-O 3.52Å; F286-L291 WeakPolarHBondContact CB-O 3.17Å; F286-L291 HydrophobicContact CD1-CB 4.22Å; F286-L291 PolarHBondContact O-N 2.67Å; A289-L291 VanDerWaalsContact C-N 3.27Å; A289-L291 HydrophobicContact CB-CB 4.25Å; A289-L291 HydrophobicContact CB-CD1 3.85Å; A289-L291 HydrophobicContact CB-CG 3.97Å; A289-L291 PolarHBondContact O-N 3.15Å; L291-D295 HydrophobicContact CD2-CB 4.17Å; L291-V383 HydrophobicContact CD1-CG1 3.87Å; L291-V383 HydrophobicContact CD1-CG2 4.26Å; L291-I399 HydrophobicContact CD1-CG2 4.04Å
292K98.3Very high98.4Very high152 Ų15242.8 Ų42.866%0.66125%0.25SS*.  trans-116.8160172.8-62.2177.5-176.8176.50109.9G294 D295K292-G294 PolarHBondContact O-N 3.02Å; K292-G294 VanDerWaalsContact O-N 3.13Å; K292-D295 PolarHBondContact N-OD2 3.24Å; K292-D295 WeakPolarHBondContact O-CB 3.42Å; K292-D295 PolarHBondContact O-N 3.34Å
293P98.2Very high98.4Very high34 Ų3442.7 Ų42.722%0.22125%0.249CC..G310 helixtrans-53.1-34.7174.3-26.733.3000113.9F286 D295 V296 G317 L318 F339F286-P293 HydrophobicContact CD2-CG 4.02Å; F286-P293 HydrophobicContact CE2-CB 4.17Å; F286-P293 HydrophobicContact CE2-CG 3.71Å; F286-P293 HydrophobicContact CZ-CB 4.02Å; F286-P293 HydrophobicContact CZ-CG 4Å; P293-D295 PolarHBondContact O-N 3.48Å; P293-V296 PolarHBondContact O-N 2.83Å; P293-G317 WeakPolarHBondContact CB-O 3.47Å; P293-L318 HydrophobicContact CB-CD2 4.37Å; P293-F339 WeakPolarHBondContact O-CE1 3.47Å
294G97.7Very high98.3Very high48 Ų4837.1 Ų37.150%0.49523%0.226SC..G310 helixtrans-70.4-10177.700000115.6K292 V296K292-G294 PolarHBondContact O-N 3.02Å; K292-G294 VanDerWaalsContact O-N 3.13Å; G294-V296 VanDerWaalsContact C-N 3.34Å
295D98.1Very high98.3Very high73 Ų7334 Ų3439%0.3921%0.212SC..G310 helixtrans-87.3-6.4176.3-58.4-44.3000112.5L291 K292 P293 V383L291-D295 HydrophobicContact CD2-CB 4.17Å; K292-D295 PolarHBondContact N-OD2 3.24Å; K292-D295 WeakPolarHBondContact O-CB 3.42Å; K292-D295 PolarHBondContact O-N 3.34Å; P293-D295 PolarHBondContact O-N 3.48Å; D295-V383 VanDerWaalsContact O-CB 3.26Å; D295-V383 WeakPolarHBondContact O-CB 3.27Å; D295-V383 WeakPolarHBondContact O-CG2 3.29Å
296V98.4Very high98.3Very high3 Ų334 Ų342%0.01821%0.212CC..  trans-81.6132.7-179.1-179.30000110.1F286 P293 G294 V299 F339 V383 L385F286-V296 HydrophobicContact CE1-CG2 3.69Å; F286-V296 HydrophobicContact CZ-CG2 3.98Å; P293-V296 PolarHBondContact O-N 2.83Å; G294-V296 VanDerWaalsContact C-N 3.34Å; V296-V299 HydrophobicContact CG1-CG2 3.65Å; V296-F339 HydrophobicContact CB-CD1 4.49Å; V296-F339 HydrophobicContact CB-CE1 4.36Å; V296-F339 WeakPolarHBondContact O-CD1 3.2Å; V296-F339 WeakPolarHBondContact O-CE1 3.39Å; V296-V383 HydrophobicContact CG2-CG1 4.15Å; V296-L385 HydrophobicContact CG1-CB 3.78Å; V296-L385 HydrophobicContact CG2-CB 4.24Å; V296-L385 HydrophobicContact CG2-CD1 4.18Å
297D97.3Very high98.3Very high55 Ų5533.4 Ų33.429%0.29421%0.21SC..  trans-98.7-41.2179.3-52.9-64.3000111.8V340 A381 N382 V383D297-V340 PolarHBondContact O-N 2.69Å; D297-V340 VanDerWaalsContact O-N 3.12Å; D297-A381 HydrophobicContact CB-CB 4.1Å; D297-N382 WeakPolarHBondContact OD2-CA 3.47Å; D297-N382 PolarHBondContact OD2-N 3.39Å; D297-V383 PolarHBondContact N-O 3.44Å; D297-V383 PolarHBondContact OD2-N 3.38Å
298V98.9Very high98.3Very high0 Ų027.7 Ų27.70%018%0.183CC..EExtended strand (participates in β ladder)trans-134.9137-17362.10000111.2V340 P343 L365 Q368 V378 A381 V383 A384 L385V298-V340 WeakPolarHBondContact CA-O 3.29Å; V298-P343 HydrophobicContact CG2-CG 3.76Å; V298-L365 HydrophobicContact CG1-CD2 4.24Å; V298-L365 HydrophobicContact CG2-CD2 4.1Å; V298-Q368 HydrophobicContact CG1-CB 4.27Å; V298-Q368 HydrophobicContact CG2-CG 4.16Å; V298-V378 HydrophobicContact CB-CG2 4.18Å; V298-V378 HydrophobicContact CG2-CG2 3.91Å; V298-A381 HydrophobicContact CG1-CB 4.11Å; V298-V383 PolarHBondContact N-O 3.34Å; V298-A384 HydrophobicContact CG1-CB 3.58Å; V298-A384 VanDerWaalsContact O-CA 3.32Å; V298-A384 WeakPolarHBondContact O-CA 3.4Å; V298-L385 PolarHBondContact O-N 3.32Å
299V98.9Very high98.3Very high0 Ų024.5 Ų24.50%016%0.156CC..EExtended strand (participates in β ladder)trans-127.8135.1-176.5-175.70000110.3V296 L301 L316 L318 V340 I341 N342 L385V296-V299 HydrophobicContact CG1-CG2 3.65Å; V299-L301 HydrophobicContact CG1-CB 3.98Å; V299-L301 HydrophobicContact CG1-CD2 4Å; V299-L301 HydrophobicContact CG1-CG 4.12Å; V299-L316 HydrophobicContact CG1-CD1 4.5Å; V299-L318 HydrophobicContact CG2-CD1 4.41Å; V299-V340 PolarHBondContact N-O 2.7Å; V299-I341 HydrophobicContact CB-CB 4.46Å; V299-I341 HydrophobicContact CB-CG1 4.16Å; V299-I341 HydrophobicContact CB-CG2 4.25Å; V299-I341 HydrophobicContact CG1-CG2 4.38Å; V299-I341 HydrophobicContact CG2-CG1 4.37Å; V299-N342 PolarHBondContact O-N 3.06Å; V299-L385 CarbonylContact C-O 3.48Å; V299-L385 VanDerWaalsContact CA-O 3.29Å; V299-L385 WeakPolarHBondContact CA-O 3.46Å; V299-L385 HydrophobicContact CG1-CD2 4.01Å; V299-L385 HydrophobicContact CG2-CB 4.43Å
300E98.9Very high98.4Very high0 Ų023.1 Ų23.10%015%0.145CC..EExtended strand (participates in β ladder)trans-116.6107.7161.5-83.6-76.5145.500108N342 P343 S344 K350 Q361 E364 L365 L385 Q386 H387E300-N342 WeakPolarHBondContact CA-OD1 3.38Å; E300-N342 WeakPolarHBondContact OE1-CA 3.37Å; E300-P343 WeakPolarHBondContact OE1-CD 3.28Å; E300-S344 VanDerWaalsContact OE1-CB 3.22Å; E300-S344 WeakPolarHBondContact OE1-CB 3.46Å; E300-S344 PolarHBondContact OE1-N 3.11Å; E300-S344 PolarHBondContact OE1-OG 3.19Å; E300-S344 PolarHBondContact OE2-OG 3.49Å; E300-S344 VanDerWaalsContact OE2-OG 3.11Å; E300-K350 IonicContact OE1-NZ 2.95Å; E300-K350 IonicContact OE2-NZ 3.34Å; E300-K350 PolarHBondContact OE2-NZ 2.68Å; E300-Q361 HydrophobicContact CB-CB 3.92Å; E300-Q361 HydrophobicContact CB-CG 4.02Å; E300-E364 HydrophobicContact CG-CB 4.19Å; E300-E364 HydrophobicContact CG-CG 4.09Å; E300-L365 HydrophobicContact CB-CD1 4.22Å; E300-L365 HydrophobicContact CB-CD2 3.9Å; E300-L365 HydrophobicContact CB-CG 4.02Å; E300-L365 HydrophobicContact CG-CD2 3.66Å; E300-L365 HydrophobicContact CG-CG 4.01Å; E300-L385 PolarHBondContact N-O 2.93Å; E300-Q386 CarbonylContact O-C 3.56Å; E300-Q386 VanDerWaalsContact O-CA 3.3Å; E300-Q386 WeakPolarHBondContact O-CA 3.46Å; E300-H387 PolarHBondContact O-N 2.91Å
301L98.8Very high98.5Very high0 Ų020 Ų200%011%0.113CC..  trans-117.3170.3-176.95970.7000112.2V299 D303 E309 T312 Y313 L316 I341 N342 Q361 H387V299-L301 HydrophobicContact CG1-CB 3.98Å; V299-L301 HydrophobicContact CG1-CD2 4Å; V299-L301 HydrophobicContact CG1-CG 4.12Å; L301-D303 HydrophobicContact CD1-CB 4.08Å; L301-D303 PolarHBondContact O-N 3.03Å; L301-D303 VanDerWaalsContact O-N 3.15Å; L301-E309 HydrophobicContact CD1-CB 3.82Å; L301-E309 HydrophobicContact CD1-CG 3.62Å; L301-E309 HydrophobicContact CD2-CG 4.44Å; L301-T312 HydrophobicContact CB-CG2 4.29Å; L301-T312 HydrophobicContact CD2-CG2 4Å; L301-Y313 HydrophobicContact CD2-CD1 4.03Å; L301-Y313 HydrophobicContact CD2-CE1 3.97Å; L301-L316 HydrophobicContact CD2-CD1 4.29Å; L301-I341 HydrophobicContact CD1-CG2 4.32Å; L301-I341 HydrophobicContact CD2-CG2 3.58Å; L301-I341 HydrophobicContact CG-CG2 3.7Å; L301-N342 PolarHBondContact N-OD1 2.51Å; L301-N342 PolarHBondContact O-OD1 3.15Å; L301-Q361 PolarHBondContact O-NE2 3.31Å; L301-H387 CarbonylContact C-O 3.47Å; L301-H387 WeakPolarHBondContact CA-O 3.42Å; L301-H387 HydrophobicContact CB-CB 3.91Å
302H98.8Very high98.5Very high2 Ų218.8 Ų18.81%0.00911%0.106CC..  trans-86.375.2-172.4-156.782000113.4C304 N308 H352 H387 N388 I389H302-C304 VanDerWaalsContact C-N 3.27Å; H302-C304 PolarHBondContact O-N 2.96Å; H302-C304 VanDerWaalsContact O-N 3.11Å; H302-N308 PolarHBondContact O-ND2 3.32Å; H302-H352 AromaticContact CE1-CE1 3.53Å; H302-H352 AromaticContact CE1-NE2 3.84Å; H302-H352 AromaticContact NE2-CE1 3.99Å; H302-H352 AromaticContact NE2-NE2 3.86Å; H302-H387 PolarHBondContact N-O 2.88Å; H302-H387 VanDerWaalsContact N-O 3.11Å; H302-N388 PolarHBondContact CE1-ND2 3.2Å; H302-N388 VanDerWaalsContact CE1-ND2 3.3Å; H302-N388 PolarHBondContact ND1-ND2 2.83Å; H302-I389 HydrophobicContact CB-CG2 3.9Å; H302-I389 PolarHBondContact CE1-O 3.4Å; H302-I389 PolarHBondContact NE2-O 3.01Å; H302-I389 VanDerWaalsContact NE2-O 3.14Å
303D98.4Very high98.5Very high0 Ų011.5 Ų11.50%08%0.075CC..  trans-83.751.8178.264.4-51.7000112.8N185 L301 F305 E309 N342 G346 L347 I348N185-D303 PolarHBondContact ND2-OD2 2.81Å; N185-D303 VanDerWaalsContact ND2-OD2 3.15Å; L301-D303 HydrophobicContact CD1-CB 4.08Å; L301-D303 PolarHBondContact O-N 3.03Å; L301-D303 VanDerWaalsContact O-N 3.15Å; D303-F305 PolarHBondContact O-N 3.18Å; D303-F305 VanDerWaalsContact O-N 3.13Å; D303-E309 HydrophobicContact CB-CB 3.79Å; D303-E309 HydrophobicContact CB-CG 4.5Å; D303-E309 WeakPolarHBondContact CB-OE2 3.34Å; D303-N342 PolarHBondContact OD1-ND2 3.39Å; D303-G346 VanDerWaalsContact OD1-CA 3.3Å; D303-G346 WeakPolarHBondContact OD1-CA 3.43Å; D303-G346 VanDerWaalsContact OD2-CA 3.29Å; D303-G346 WeakPolarHBondContact OD2-CA 3.2Å; D303-L347 WeakPolarHBondContact OD1-CD1 3.09Å; D303-L347 PolarHBondContact OD1-N 3.27Å; D303-L347 PolarHBondContact OD2-N 3.13Å; D303-L347 VanDerWaalsContact OD2-N 3.09Å; D303-I348 HydrophobicContact CB-CG1 4.38Å; D303-I348 VanDerWaalsContact O-CG1 3.27Å; D303-I348 WeakPolarHBondContact O-CG1 3.37Å; D303-I348 WeakPolarHBondContact OD2-CG1 3.43Å; D303-I348 PolarHBondContact OD2-N 2.97Å; D303-I348 VanDerWaalsContact OD2-N 3.07Å
304C96.4Very high98.5Very high5 Ų510.3 Ų10.33%0.0347%0.066CC..SBendtrans-56.4-31.4175.356.40000112.2F160 C222 H302 L347F160-C304 VanDerWaalsContact CZ-SG 3.58Å; C222-C304 WeakPolarHBondContact CB-O 3.29Å; C222-C304 PolarHBondContact N-O 3.33Å; C222-C304 PolarHBondContact SG-O 3.28Å; H302-C304 VanDerWaalsContact C-N 3.27Å; H302-C304 PolarHBondContact O-N 2.96Å; H302-C304 VanDerWaalsContact O-N 3.11Å; C304-L347 HydrophobicContact CB-CD2 4.18Å
305F98.8Very high98.6Very high13 Ų138.2 Ų8.26%0.0574%0.044CC..BIsolated β-bridgetrans-138.5153.7166-58.2-88.4000109.1A156 P157 F160 L216 Q220 C221 D303 A307 N308 E309A156-F305 HydrophobicContact CB-CE2 4.08Å; A156-F305 HydrophobicContact CB-CZ 4.1Å; P157-F305 HydrophobicContact CB-CE1 3.92Å; P157-F305 HydrophobicContact CB-CZ 4.23Å; P157-F305 HydrophobicContact CG-CE1 3.73Å; P157-F305 HydrophobicContact CG-CZ 3.8Å; F160-F305 HydrophobicContact CB-CB 4.09Å; F160-F305 HydrophobicContact CB-CD2 3.66Å; F160-F305 HydrophobicContact CB-CE2 4.44Å; F160-F305 HydrophobicContact CB-CG 4.04Å; F160-F305 AromaticContact CD2-CD2 3.31Å; F160-F305 HydrophobicContact CD2-CD2 3.31Å; F160-F305 AromaticContact CD2-CE2 3.47Å; F160-F305 HydrophobicContact CD2-CE2 3.47Å; F160-F305 VanDerWaalsContact CD2-CE2 3.47Å; F160-F305 HydrophobicContact CD2-CG 4.45Å; F160-F305 HydrophobicContact CE2-CD2 4.11Å; F160-F305 HydrophobicContact CE2-CE2 4.08Å; F160-F305 AromaticContact CG-CD2 3.63Å; F160-F305 HydrophobicContact CG-CD2 3.63Å; F160-F305 HydrophobicContact CG-CE2 4.26Å; F160-F305 HydrophobicContact CG-CG 4.47Å; L216-F305 HydrophobicContact CD1-CB 4.41Å; L216-F305 HydrophobicContact CD1-CD1 4.04Å; L216-F305 HydrophobicContact CD1-CG 4.4Å; L216-F305 HydrophobicContact CD2-CB 4.46Å; Q220-F305 WeakPolarHBondContact O-CA 3.22Å; C221-F305 HydrophobicContact CB-CD1 3.87Å; C221-F305 HydrophobicContact CB-CE1 3.73Å; D303-F305 PolarHBondContact O-N 3.18Å; D303-F305 VanDerWaalsContact O-N 3.13Å; F305-A307 PolarHBondContact O-N 3.3Å; F305-A307 VanDerWaalsContact O-N 3.12Å; F305-N308 PolarHBondContact O-N 3.01Å; F305-E309 PolarHBondContact O-N 3.06Å
306S98.8Very high98.6Very high0 Ų04.9 Ų4.90%03%0.026CC..Hα-helixtrans-53.1-34.9175.556.50000112.8F178 L216 Q220 N308 E309 L310F178-S306 WeakPolarHBondContact O-CB 3.21Å; L216-S306 WeakPolarHBondContact CD2-OG 3.4Å; Q220-S306 PolarHBondContact O-N 3.34Å; Q220-S306 VanDerWaalsContact O-N 3.13Å; Q220-S306 PolarHBondContact OE1-OG 2.75Å; S306-N308 VanDerWaalsContact C-N 3.35Å; S306-N308 PolarHBondContact O-N 3.03Å; S306-E309 PolarHBondContact O-N 3.35Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.1Å
307A98.8Very high98.6Very high0 Ų06.5 Ų6.50%04%0.043CC..Hα-helixtrans-59.5-40.5174.900000113.4F160 F178 F215 L216 F305 L310 I311F160-A307 VanDerWaalsContact O-CB 3.24Å; F160-A307 WeakPolarHBondContact O-CB 3.39Å; F178-A307 HydrophobicContact CD1-CB 4.13Å; F178-A307 HydrophobicContact CE1-CB 4.1Å; F215-A307 HydrophobicContact CE2-CB 4.46Å; F215-A307 HydrophobicContact CZ-CB 4.06Å; L216-A307 HydrophobicContact CD2-CB 4.5Å; F305-A307 PolarHBondContact O-N 3.3Å; F305-A307 VanDerWaalsContact O-N 3.12Å; A307-L310 PolarHBondContact O-N 2.79Å; A307-I311 PolarHBondContact O-N 2.83Å
308N98.9Very high98.7Very high4 Ų44.3 Ų4.32%0.0213%0.031CC..Hα-helixtrans-71-38.4-179.8-160.148000111.6F160 H302 F305 S306 I311 T312F160-N308 HydrophobicContact CD1-CB 3.65Å; F160-N308 HydrophobicContact CE1-CB 3.94Å; F160-N308 VanDerWaalsContact CE1-CG 3.47Å; F160-N308 VanDerWaalsContact CE1-OD1 3.31Å; F160-N308 WeakPolarHBondContact CE1-OD1 3.28Å; F160-N308 HydrophobicContact CG-CB 4.47Å; H302-N308 PolarHBondContact O-ND2 3.32Å; F305-N308 PolarHBondContact O-N 3.01Å; S306-N308 VanDerWaalsContact C-N 3.35Å; S306-N308 PolarHBondContact O-N 3.03Å; N308-I311 WeakPolarHBondContact O-CG1 3.2Å; N308-T312 WeakPolarHBondContact O-CB 3.2Å; N308-T312 PolarHBondContact O-N 3.29Å; N308-T312 PolarHBondContact O-OG1 3.16Å
309E98.9Very high98.7Very high0 Ų05.3 Ų5.30%04%0.038CC..Hα-helixtrans-61.5-44.3174.6171.4161.1175.600111.4I181 K184 N185 L301 D303 F305 S306 T312 Y313 N342I181-E309 HydrophobicContact CD1-CG 4.34Å; I181-E309 HydrophobicContact CG2-CB 3.9Å; I181-E309 HydrophobicContact CG2-CG 3.68Å; I181-E309 VanDerWaalsContact CG2-OE2 3.31Å; I181-E309 WeakPolarHBondContact CG2-OE2 3.42Å; K184-E309 WeakPolarHBondContact CE-OE1 3.49Å; K184-E309 IonicContact NZ-OE1 3.36Å; K184-E309 PolarHBondContact NZ-OE1 3.16Å; K184-E309 IonicContact NZ-OE2 2.98Å; N185-E309 PolarHBondContact ND2-OE2 3.32Å; L301-E309 HydrophobicContact CD1-CB 3.82Å; L301-E309 HydrophobicContact CD1-CG 3.62Å; L301-E309 HydrophobicContact CD2-CG 4.44Å; D303-E309 HydrophobicContact CB-CB 3.79Å; D303-E309 HydrophobicContact CB-CG 4.5Å; D303-E309 WeakPolarHBondContact CB-OE2 3.34Å; F305-E309 PolarHBondContact O-N 3.06Å; S306-E309 PolarHBondContact O-N 3.35Å; E309-T312 PolarHBondContact O-N 3.5Å; E309-Y313 VanDerWaalsContact CD-OH 3.25Å; E309-Y313 HydrophobicContact CG-CD1 4.33Å; E309-Y313 HydrophobicContact CG-CE1 3.36Å; E309-Y313 HydrophobicContact CG-CE2 4.39Å; E309-Y313 VanDerWaalsContact CG-CZ 3.42Å; E309-Y313 VanDerWaalsContact CG-OH 3.27Å; E309-Y313 WeakPolarHBondContact CG-OH 3.4Å; E309-Y313 VanDerWaalsContact O-CD1 3.29Å; E309-Y313 WeakPolarHBondContact O-CD1 3.48Å; E309-Y313 PolarHBondContact O-N 3.25Å; E309-Y313 PolarHBondContact OE1-OH 2.65Å; E309-N342 PolarHBondContact OE2-ND2 3.15Å
310L98.9Very high98.7Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-57.9-53.9-179.6-169142.2000112.3T173 H177 F178 I181 S306 A307 T312 Y313 A324T173-L310 HydrophobicContact CG2-CD1 3.68Å; T173-L310 HydrophobicContact CG2-CD2 4.2Å; H177-L310 HydrophobicContact CB-CD1 3.97Å; F178-L310 HydrophobicContact CD1-CB 4.03Å; F178-L310 HydrophobicContact CD1-CD1 3.74Å; F178-L310 HydrophobicContact CD1-CG 4.38Å; F178-L310 HydrophobicContact CE1-CB 3.86Å; F178-L310 HydrophobicContact CE1-CD1 3.62Å; F178-L310 HydrophobicContact CE1-CD2 4.05Å; F178-L310 HydrophobicContact CE1-CG 4.03Å; F178-L310 HydrophobicContact CG-CD1 4.28Å; F178-L310 HydrophobicContact CZ-CD1 4.05Å; F178-L310 HydrophobicContact CZ-CD2 4.37Å; I181-L310 HydrophobicContact CD1-CB 3.57Å; I181-L310 HydrophobicContact CD1-CD1 4Å; I181-L310 HydrophobicContact CD1-CG 4.13Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.1Å; A307-L310 PolarHBondContact O-N 2.79Å; L310-T312 PolarHBondContact O-N 3.22Å; L310-Y313 WeakPolarHBondContact O-CB 3.16Å; L310-Y313 PolarHBondContact O-N 3Å; L310-A324 HydrophobicContact CD2-CB 3.68Å; L310-A324 HydrophobicContact CG-CB 3.75Å; L310-A324 WeakPolarHBondContact O-CB 3.35Å
311I98.9Very high98.7Very high2 Ų217.2 Ų17.21%0.019%0.094CC..Hα-helixtrans-68.3-26.7-179.366.3178.5000111.9A163 H167 V273 Y275 A307 N308 Y313 E314 A315A163-I311 HydrophobicContact CB-CD1 4.3Å; H167-I311 HydrophobicContact CB-CG2 4.29Å; V273-I311 HydrophobicContact CG2-CD1 3.62Å; Y275-I311 HydrophobicContact CD2-CB 4.26Å; Y275-I311 VanDerWaalsContact CE2-O 3.3Å; Y275-I311 WeakPolarHBondContact CE2-O 3.39Å; A307-I311 PolarHBondContact O-N 2.83Å; N308-I311 WeakPolarHBondContact O-CG1 3.2Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3Å; I311-E314 PolarHBondContact O-N 3.26Å; I311-A315 PolarHBondContact O-N 2.89Å; I311-A315 VanDerWaalsContact O-N 3.12Å
312T98.9Very high98.6Very high3 Ų317.9 Ų17.92%0.01810%0.101CC..Hα-helixtrans-69.5-29.4178.3-65.20000111.7L301 N308 E309 L310 E314 A315 L316 H387L301-T312 HydrophobicContact CB-CG2 4.29Å; L301-T312 HydrophobicContact CD2-CG2 4Å; N308-T312 WeakPolarHBondContact O-CB 3.2Å; N308-T312 PolarHBondContact O-N 3.29Å; N308-T312 PolarHBondContact O-OG1 3.16Å; E309-T312 PolarHBondContact O-N 3.5Å; L310-T312 PolarHBondContact O-N 3.22Å; T312-E314 PolarHBondContact O-N 3.15Å; T312-A315 PolarHBondContact O-N 3.26Å; T312-L316 HydrophobicContact CG2-CD1 3.57Å; T312-L316 HydrophobicContact CG2-CD2 4.49Å; T312-L316 HydrophobicContact CG2-CG 3.71Å; T312-L316 WeakPolarHBondContact O-CB 3.25Å; T312-L316 VanDerWaalsContact O-CG 3.26Å; T312-L316 WeakPolarHBondContact O-CG 3.26Å; T312-L316 PolarHBondContact O-N 2.95Å; T312-H387 WeakPolarHBondContact CG2-ND1 3.39Å
313Y98.9Very high98.6Very high0 Ų021.7 Ų21.70%012%0.117CC..Hα-helixtrans-56.1-42174.5-59.3-25.2000112I181 L301 E309 L310 I311 G317 L318 A324 L327 V328 N333 I341I181-Y313 HydrophobicContact CD1-CE2 3.94Å; I181-Y313 HydrophobicContact CG1-CE2 4.33Å; L301-Y313 HydrophobicContact CD2-CD1 4.03Å; L301-Y313 HydrophobicContact CD2-CE1 3.97Å; E309-Y313 VanDerWaalsContact CD-OH 3.25Å; E309-Y313 HydrophobicContact CG-CD1 4.33Å; E309-Y313 HydrophobicContact CG-CE1 3.36Å; E309-Y313 HydrophobicContact CG-CE2 4.39Å; E309-Y313 VanDerWaalsContact CG-CZ 3.42Å; E309-Y313 VanDerWaalsContact CG-OH 3.27Å; E309-Y313 WeakPolarHBondContact CG-OH 3.4Å; E309-Y313 VanDerWaalsContact O-CD1 3.29Å; E309-Y313 WeakPolarHBondContact O-CD1 3.48Å; E309-Y313 PolarHBondContact O-N 3.25Å; E309-Y313 PolarHBondContact OE1-OH 2.65Å; L310-Y313 WeakPolarHBondContact O-CB 3.16Å; L310-Y313 PolarHBondContact O-N 3Å; I311-Y313 VanDerWaalsContact C-N 3.32Å; I311-Y313 PolarHBondContact O-N 3Å; Y313-G317 PolarHBondContact O-N 3.22Å; Y313-L318 HydrophobicContact CD1-CD1 4.42Å; Y313-L318 WeakPolarHBondContact O-CB 3.28Å; Y313-L318 PolarHBondContact O-N 3.09Å; Y313-A324 HydrophobicContact CD2-CB 4.05Å; Y313-L327 HydrophobicContact CD2-CD2 4.15Å; Y313-L327 HydrophobicContact CE2-CD2 4.14Å; Y313-V328 HydrophobicContact CE2-CG2 3.74Å; Y313-N333 PolarHBondContact OH-ND2 2.72Å; Y313-I341 HydrophobicContact CD1-CD1 3.78Å; Y313-I341 HydrophobicContact CE1-CD1 3.44Å; Y313-I341 VanDerWaalsContact CE1-CD1 3.44Å; Y313-I341 HydrophobicContact CE1-CG2 4.2Å
314E98.9Very high98.7Very high9 Ų921.7 Ų21.74%0.04212%0.117CC..Hα-helixtrans-75.3-44179.7-55.1178.1-179.500110.5H167 Y275 I311 T312 L316 G317 G322 K323 A324H167-E314 IonicContact CD2-OE2 2.69Å; H167-E314 IonicContact CE1-OE1 2.7Å; H167-E314 PolarHBondContact CE1-OE1 3.37Å; H167-E314 VanDerWaalsContact NE2-CD 3.28Å; H167-E314 IonicContact NE2-OE1 3.98Å; H167-E314 PolarHBondContact NE2-OE1 3.42Å; H167-E314 IonicContact NE2-OE2 3.61Å; H167-E314 PolarHBondContact NE2-OE2 3.14Å; H167-E314 VanDerWaalsContact NE2-OE2 3.15Å; Y275-E314 HydrophobicContact CE2-CB 4.09Å; Y275-E314 WeakPolarHBondContact OH-CB 3.28Å; I311-E314 PolarHBondContact O-N 3.26Å; T312-E314 PolarHBondContact O-N 3.15Å; E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 3.07Å; E314-G317 WeakPolarHBondContact O-CA 3.28Å; E314-G317 PolarHBondContact O-N 3.07Å; E314-G322 VanDerWaalsContact OE1-CA 3.29Å; E314-G322 WeakPolarHBondContact OE1-CA 3.24Å; E314-G322 PolarHBondContact OE1-N 2.98Å; E314-G322 PolarHBondContact OE2-N 2.8Å; E314-K323 PolarHBondContact OE1-N 2.77Å; E314-A324 HydrophobicContact CG-CB 3.91Å; E314-A324 WeakPolarHBondContact OE1-CB 3.49Å; E314-A324 PolarHBondContact OE1-N 3.07Å; E314-A324 VanDerWaalsContact OE1-N 3.16Å
315A98.9Very high98.8Very high4 Ų421.7 Ų21.73%0.03312%0.118CC..Hα-helixtrans-59.8-38.5178.100000112.4Y275 R279 I311 T312 G317Y275-A315 HydrophobicContact CD2-CB 3.84Å; Y275-A315 HydrophobicContact CE1-CB 4.44Å; Y275-A315 HydrophobicContact CE2-CB 3.76Å; Y275-A315 HydrophobicContact CG-CB 4.23Å; R279-A315 VanDerWaalsContact CA-O 3.25Å; R279-A315 WeakPolarHBondContact CA-O 3.49Å; R279-A315 HydrophobicContact CB-CB 4.43Å; I311-A315 PolarHBondContact O-N 2.89Å; I311-A315 VanDerWaalsContact O-N 3.12Å; T312-A315 PolarHBondContact O-N 3.26Å; A315-G317 PolarHBondContact O-N 3.04Å
316L98.9Very high98.8Very high3 Ų325.2 Ų25.22%0.01614%0.135CC..THydrogen-bonded Turntrans-78.2-5.3176.1-63.2-179.3000113.3A282 F286 V299 L301 T312 E314 L318 L385 H387 V397A282-L316 HydrophobicContact CB-CD2 3.66Å; F286-L316 WeakPolarHBondContact CE2-O 2.94Å; V299-L316 HydrophobicContact CG1-CD1 4.5Å; L301-L316 HydrophobicContact CD2-CD1 4.29Å; T312-L316 HydrophobicContact CG2-CD1 3.57Å; T312-L316 HydrophobicContact CG2-CD2 4.49Å; T312-L316 HydrophobicContact CG2-CG 3.71Å; T312-L316 WeakPolarHBondContact O-CB 3.25Å; T312-L316 VanDerWaalsContact O-CG 3.26Å; T312-L316 WeakPolarHBondContact O-CG 3.26Å; T312-L316 PolarHBondContact O-N 2.95Å; E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 3.07Å; L316-L318 VanDerWaalsContact C-N 3.32Å; L316-L318 HydrophobicContact CB-CG 4.02Å; L316-L318 HydrophobicContact CD1-CD1 4.5Å; L316-L318 PolarHBondContact O-N 2.84Å; L316-L385 HydrophobicContact CD1-CD2 3.78Å; L316-L385 HydrophobicContact CD2-CD2 4.26Å; L316-H387 HydrophobicContact CD1-CB 4.2Å; L316-H387 HydrophobicContact CD2-CB 4.32Å; L316-V397 HydrophobicContact CD2-CG2 4.39Å
317G98.7Very high98.8Very high36 Ų3625.3 Ų25.337%0.37114%0.135SC..THydrogen-bonded Turntrans72.520.2-178.700000114.5P293 Y313 E314 A315 C319P293-G317 WeakPolarHBondContact CB-O 3.47Å; Y313-G317 PolarHBondContact O-N 3.22Å; E314-G317 WeakPolarHBondContact O-CA 3.28Å; E314-G317 PolarHBondContact O-N 3.07Å; A315-G317 PolarHBondContact O-N 3.04Å; G317-C319 PolarHBondContact O-N 3.49Å
318L98.6Very high98.8Very high9 Ų925.8 Ų25.85%0.04714%0.138CC..SBendtrans-70.5-27.1176.6-55.1-176.9000111.5P293 V299 Y313 L316 L327 F339 I341P293-L318 HydrophobicContact CB-CD2 4.37Å; V299-L318 HydrophobicContact CG2-CD1 4.41Å; Y313-L318 HydrophobicContact CD1-CD1 4.42Å; Y313-L318 WeakPolarHBondContact O-CB 3.28Å; Y313-L318 PolarHBondContact O-N 3.09Å; L316-L318 VanDerWaalsContact C-N 3.32Å; L316-L318 HydrophobicContact CB-CG 4.02Å; L316-L318 HydrophobicContact CD1-CD1 4.5Å; L316-L318 PolarHBondContact O-N 2.84Å; L318-L327 HydrophobicContact CB-CD1 4.26Å; L318-F339 HydrophobicContact CB-CD2 4.29Å; L318-F339 HydrophobicContact CB-CE2 3.8Å; L318-F339 HydrophobicContact CB-CZ 4.21Å; L318-F339 HydrophobicContact CD2-CD1 4.37Å; L318-F339 HydrophobicContact CD2-CE1 3.98Å; L318-F339 HydrophobicContact CD2-CE2 4.2Å; L318-F339 HydrophobicContact CD2-CZ 3.87Å; L318-F339 HydrophobicContact CG-CE2 4.46Å; L318-I341 HydrophobicContact CD1-CD1 3.79Å
319C98.7Very high98.8Very high21 Ų2129.6 Ų29.614%0.14216%0.159CC..SBendtrans-142.6169167.458.30000110.2G317 K323 L327G317-C319 PolarHBondContact O-N 3.49Å; C319-K323 HydrophobicContact CB-CB 4.32Å; C319-L327 HydrophobicContact CB-CB 4.4Å; C319-L327 HydrophobicContact CB-CD1 3.8Å
320E98.5Very high98.7Very high150 Ų15036.3 Ų36.370%0.70118%0.184SC*.  trans-69.7158174.6-61.3178.8168.200111.5G322 K323E320-G322 PolarHBondContact O-N 3.15Å; E320-K323 HydrophobicContact CB-CB 4.37Å; E320-K323 HydrophobicContact CB-CG 3.9Å; E320-K323 WeakPolarHBondContact O-CB 3.42Å; E320-K323 PolarHBondContact O-N 3.13Å
321E98.6Very high98.7Very high100 Ų10037.3 Ų37.347%0.46720%0.195SC..THydrogen-bonded Turntrans-56.7133.5176.7-63.5-172176.500111.2R279 K323R279-E321 IonicContact NH1-OE1 3.26Å; R279-E321 PolarHBondContact NH1-OE1 2.96Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.2Å
322G98.5Very high98.7Very high15 Ų1538.7 Ų38.716%0.15520%0.202CC..THydrogen-bonded Turntrans75.80.8-174.500000115.8Y171 E314 E320Y171-G322 VanDerWaalsContact CG-CA 3.48Å; E314-G322 VanDerWaalsContact OE1-CA 3.29Å; E314-G322 WeakPolarHBondContact OE1-CA 3.24Å; E314-G322 PolarHBondContact OE1-N 2.98Å; E314-G322 PolarHBondContact OE2-N 2.8Å; E320-G322 PolarHBondContact O-N 3.15Å
323K98.8Very high98.7Very high81 Ų8138.8 Ų38.835%0.35220%0.202SC..  trans-102.35.2-177.5-58.9-55.8-165.9174.90114.5E314 C319 E320 E321 G325 E326 L327E314-K323 PolarHBondContact OE1-N 2.77Å; C319-K323 HydrophobicContact CB-CB 4.32Å; E320-K323 HydrophobicContact CB-CB 4.37Å; E320-K323 HydrophobicContact CB-CG 3.9Å; E320-K323 WeakPolarHBondContact O-CB 3.42Å; E320-K323 PolarHBondContact O-N 3.13Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 3.2Å; K323-G325 VanDerWaalsContact C-N 3.31Å; K323-G325 PolarHBondContact O-N 2.71Å; K323-E326 VanDerWaalsContact CD-OE1 3.28Å; K323-E326 WeakPolarHBondContact CD-OE1 3.39Å; K323-E326 IonicContact NZ-OE1 2.72Å; K323-E326 PolarHBondContact NZ-OE1 3.41Å; K323-E326 PolarHBondContact O-N 3.46Å; K323-E326 VanDerWaalsContact O-N 3.14Å; K323-L327 PolarHBondContact O-N 3.34Å; K323-L327 VanDerWaalsContact O-N 3.15Å
324A98.8Very high98.7Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-59.7-37.8179.500000113.7L310 Y313 E314 E326 L327 V328L310-A324 HydrophobicContact CD2-CB 3.68Å; L310-A324 HydrophobicContact CG-CB 3.75Å; L310-A324 WeakPolarHBondContact O-CB 3.35Å; Y313-A324 HydrophobicContact CD2-CB 4.05Å; E314-A324 HydrophobicContact CG-CB 3.91Å; E314-A324 WeakPolarHBondContact OE1-CB 3.49Å; E314-A324 PolarHBondContact OE1-N 3.07Å; E314-A324 VanDerWaalsContact OE1-N 3.16Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.41Å; A324-L327 WeakPolarHBondContact O-CB 3.5Å; A324-L327 PolarHBondContact O-N 3.41Å; A324-V328 WeakPolarHBondContact O-CG2 3.36Å; A324-V328 PolarHBondContact O-N 3.5Å
325G98.6Very high98.6Very high5 Ų542.7 Ų42.75%0.05222%0.219CC..Hα-helixtrans-60.9-38.3176.100000112.9H177 K323 V328 D329H177-G325 PolarHBondContact NE2-O 3.07Å; K323-G325 VanDerWaalsContact C-N 3.31Å; K323-G325 PolarHBondContact O-N 2.71Å; G325-V328 PolarHBondContact O-N 3.31Å; G325-D329 PolarHBondContact O-N 3.43Å
326E98.8Very high98.3Very high87 Ų8746.8 Ų46.841%0.40726%0.262SS..Hα-helixtrans-70.3-37.5176.7-58.1-179.6-163.700112.1K323 A324 V328 D329 R330K323-E326 VanDerWaalsContact CD-OE1 3.28Å; K323-E326 WeakPolarHBondContact CD-OE1 3.39Å; K323-E326 IonicContact NZ-OE1 2.72Å; K323-E326 PolarHBondContact NZ-OE1 3.41Å; K323-E326 PolarHBondContact O-N 3.46Å; K323-E326 VanDerWaalsContact O-N 3.14Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.41Å; E326-V328 VanDerWaalsContact C-N 3.31Å; E326-V328 PolarHBondContact O-N 2.83Å; E326-D329 PolarHBondContact O-N 2.87Å; E326-R330 WeakPolarHBondContact O-CG 3.45Å; E326-R330 PolarHBondContact O-N 3.01Å; E326-R330 IonicContact OE2-NH1 2.91Å
327L98.8Very high98.2Very high2 Ų248 Ų481%0.0128%0.275CS..Hα-helixtrans-58.7-45.4172.6-175.4159.7000110.3Y313 L318 C319 K323 A324 R330 G331 D332 N333Y313-L327 HydrophobicContact CD2-CD2 4.15Å; Y313-L327 HydrophobicContact CE2-CD2 4.14Å; L318-L327 HydrophobicContact CB-CD1 4.26Å; C319-L327 HydrophobicContact CB-CB 4.4Å; C319-L327 HydrophobicContact CB-CD1 3.8Å; K323-L327 PolarHBondContact O-N 3.34Å; K323-L327 VanDerWaalsContact O-N 3.15Å; A324-L327 WeakPolarHBondContact O-CB 3.5Å; A324-L327 PolarHBondContact O-N 3.41Å; L327-R330 PolarHBondContact O-N 3.12Å; L327-G331 PolarHBondContact O-N 3.25Å; L327-D332 HydrophobicContact CD2-CB 4.01Å; L327-D332 HydrophobicContact CG-CB 3.76Å; L327-D332 PolarHBondContact O-N 2.74Å; L327-D332 VanDerWaalsContact O-N 3.09Å; L327-N333 HydrophobicContact CD2-CB 3.74Å
328V98.8Very high98Very high10 Ų1052 Ų526%0.06128%0.282CS..Hα-helixtrans-63-44.9176.4173.70000111.5K180 I181 Y313 A324 G325 E326 R330 G331K180-V328 HydrophobicContact CB-CG1 3.48Å; K180-V328 VanDerWaalsContact CB-CG1 3.48Å; K180-V328 HydrophobicContact CD-CG1 3.8Å; K180-V328 HydrophobicContact CG-CG1 4.3Å; I181-V328 HydrophobicContact CD1-CG2 4.06Å; I181-V328 HydrophobicContact CG1-CG2 3.86Å; Y313-V328 HydrophobicContact CE2-CG2 3.74Å; A324-V328 WeakPolarHBondContact O-CG2 3.36Å; A324-V328 PolarHBondContact O-N 3.5Å; G325-V328 PolarHBondContact O-N 3.31Å; E326-V328 VanDerWaalsContact C-N 3.31Å; E326-V328 PolarHBondContact O-N 2.83Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 2.75Å; V328-G331 PolarHBondContact O-N 2.91Å
329D98.7Very high98Very high85 Ų8551.7 Ų51.746%0.45528%0.28SS..Hα-helixtrans-65.2-32.5-178.4-77-21.7000113.1H177 K180 G325 E326 G331H177-D329 IonicContact CD2-OD1 3.82Å; H177-D329 PolarHBondContact CD2-OD1 2.93Å; H177-D329 IonicContact CD2-OD2 3.63Å; H177-D329 IonicContact CE1-OD2 2.71Å; H177-D329 VanDerWaalsContact NE2-CG 3.33Å; H177-D329 IonicContact NE2-OD1 3.4Å; H177-D329 PolarHBondContact NE2-OD1 2.72Å; H177-D329 IonicContact NE2-OD2 2.74Å; H177-D329 PolarHBondContact NE2-OD2 3.29Å; K180-D329 IonicContact NZ-OD1 2.93Å; K180-D329 PolarHBondContact NZ-OD1 3.16Å; G325-D329 PolarHBondContact O-N 3.43Å; E326-D329 PolarHBondContact O-N 2.87Å; D329-G331 VanDerWaalsContact C-N 3.25Å; D329-G331 PolarHBondContact O-N 2.96Å
330R98.6Very high98Very high141 Ų14151.1 Ų51.153%0.53228%0.276SS..THydrogen-bonded Turntrans-75.7-11.5173.9-69.7-170.5-57.7-91.2-3113.8E326 L327 V328 D332E326-R330 WeakPolarHBondContact O-CG 3.45Å; E326-R330 PolarHBondContact O-N 3.01Å; E326-R330 IonicContact OE2-NH1 2.91Å; L327-R330 PolarHBondContact O-N 3.12Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 2.75Å; R330-D332 VanDerWaalsContact C-N 3.25Å; R330-D332 IonicContact CZ-OD2 3.73Å; R330-D332 IonicContact NE-OD2 3.23Å; R330-D332 PolarHBondContact NE-OD2 2.84Å; R330-D332 IonicContact NH2-OD2 2.71Å; R330-D332 PolarHBondContact NH2-OD2 2.76Å
331G98.3Very high98Very high21 Ų2144 Ų4422%0.21624%0.243CC..THydrogen-bonded Turntrans69.324.9-171.900000112.9L327 V328 D329 N333 T334 G337L327-G331 PolarHBondContact O-N 3.25Å; V328-G331 PolarHBondContact O-N 2.91Å; D329-G331 VanDerWaalsContact C-N 3.25Å; D329-G331 PolarHBondContact O-N 2.96Å; G331-N333 PolarHBondContact O-N 3.08Å; G331-T334 WeakPolarHBondContact O-CG2 3.44Å; G331-T334 PolarHBondContact O-N 3Å; G331-G337 WeakPolarHBondContact O-CA 3.43Å
332D98.6Very high98Very high30 Ų3039.2 Ų39.216%0.1622%0.221CC..THydrogen-bonded Turntrans-723-178.8-84.7-26000113.5L327 R330 K338 F339L327-D332 HydrophobicContact CD2-CB 4.01Å; L327-D332 HydrophobicContact CG-CB 3.76Å; L327-D332 PolarHBondContact O-N 2.74Å; L327-D332 VanDerWaalsContact O-N 3.09Å; R330-D332 VanDerWaalsContact C-N 3.25Å; R330-D332 IonicContact CZ-OD2 3.73Å; R330-D332 IonicContact NE-OD2 3.23Å; R330-D332 PolarHBondContact NE-OD2 2.84Å; R330-D332 IonicContact NH2-OD2 2.71Å; R330-D332 PolarHBondContact NH2-OD2 2.76Å; D332-K338 HydrophobicContact CB-CB 4.04Å; D332-K338 WeakPolarHBondContact OD1-CB 3.36Å; D332-K338 PolarHBondContact OD1-N 3.1Å; D332-F339 PolarHBondContact O-N 3.34Å; D332-F339 VanDerWaalsContact O-O 3.05Å
333N98.7Very high98Very high5 Ų538.5 Ų38.53%0.02721%0.213CC..THydrogen-bonded Turntrans-112.612.317962.8-2.3000114Y313 L327 G331 F339 I341Y313-N333 PolarHBondContact OH-ND2 2.72Å; L327-N333 HydrophobicContact CD2-CB 3.74Å; G331-N333 PolarHBondContact O-N 3.08Å; N333-F339 CarbonylContact C-O 3.48Å; N333-F339 WeakPolarHBondContact CA-O 3.17Å; N333-I341 HydrophobicContact CB-CB 4.26Å; N333-I341 HydrophobicContact CB-CD1 3.8Å; N333-I341 HydrophobicContact CB-CG1 4.08Å; N333-I341 PolarHBondContact O-N 2.75Å
334T98.7Very high98.1Very high20 Ų2034.8 Ų34.812%0.12320%0.197CC..SBendtrans-137.7179-179.9-168.80000112H188 G331 G336 G337 F339H188-T334 PolarHBondContact NE2-OG1 3.11Å; G331-T334 WeakPolarHBondContact O-CG2 3.44Å; G331-T334 PolarHBondContact O-N 3Å; T334-G336 PolarHBondContact O-N 2.87Å; T334-G337 WeakPolarHBondContact O-CA 3.42Å; T334-G337 PolarHBondContact O-N 2.84Å; T334-F339 PolarHBondContact N-O 3.45Å; T334-F339 VanDerWaalsContact N-O 3.16Å
335Y96.7Very high98.1Very high72 Ų7234.8 Ų34.828%0.28220%0.197SC..THydrogen-bonded Turntrans-55.9130.1177.1-62.2-87.2000111.5H188 G337 V340 P343 R376 V378H188-Y335 AromaticContact CD2-CE2 3.8Å; H188-Y335 AromaticContact NE2-CD2 3.67Å; H188-Y335 AromaticContact NE2-CE2 3.71Å; Y335-G337 VanDerWaalsContact C-N 3.27Å; Y335-V340 HydrophobicContact CD1-CG1 4.23Å; Y335-V340 HydrophobicContact CD1-CG2 4.16Å; Y335-V340 HydrophobicContact CD2-CG1 4.37Å; Y335-V340 HydrophobicContact CE1-CG1 3.97Å; Y335-V340 HydrophobicContact CE2-CG1 4.11Å; Y335-V340 HydrophobicContact CG-CG1 4.43Å; Y335-P343 WeakPolarHBondContact OH-CB 3.33Å; Y335-R376 VanDerWaalsContact OH-C 3.27Å; Y335-R376 VanDerWaalsContact OH-CA 3.29Å; Y335-R376 WeakPolarHBondContact OH-CA 3.46Å; Y335-R376 PolarHBondContact OH-O 2.93Å; Y335-V378 HydrophobicContact CE1-CG2 4.18Å
336G93.1Very high98.1Very high89 Ų8934.5 Ų34.592%0.91820%0.195SC*.THydrogen-bonded Turntrans86-10.9-174.500000114.4T334T334-G336 PolarHBondContact O-N 2.87Å
337G96Very high98.1Very high28 Ų2830.5 Ų30.529%0.28918%0.176SC..SBendtrans-86.9-174.4170.300000113G331 T334 Y335G331-G337 WeakPolarHBondContact O-CA 3.43Å; T334-G337 WeakPolarHBondContact O-CA 3.42Å; T334-G337 PolarHBondContact O-N 2.84Å; Y335-G337 VanDerWaalsContact C-N 3.27Å
338K95.4Very high98.1Very high122 Ų12230.4 Ų30.453%0.5318%0.175SC..SBendtrans-64.6-41.3179-172.1175.2178.9-174.10114.1D332D332-K338 HydrophobicContact CB-CB 4.04Å; D332-K338 WeakPolarHBondContact OD1-CB 3.36Å; D332-K338 PolarHBondContact OD1-N 3.1Å
339F98.4Very high98Very high2 Ų230 Ų301%0.00917%0.173CC..  trans-127.7138.4179.8-53.6-74000109.7P293 V296 L318 D332 N333 T334 I341P293-F339 WeakPolarHBondContact O-CE1 3.47Å; V296-F339 HydrophobicContact CB-CD1 4.49Å; V296-F339 HydrophobicContact CB-CE1 4.36Å; V296-F339 WeakPolarHBondContact O-CD1 3.2Å; V296-F339 WeakPolarHBondContact O-CE1 3.39Å; L318-F339 HydrophobicContact CB-CD2 4.29Å; L318-F339 HydrophobicContact CB-CE2 3.8Å; L318-F339 HydrophobicContact CB-CZ 4.21Å; L318-F339 HydrophobicContact CD2-CD1 4.37Å; L318-F339 HydrophobicContact CD2-CE1 3.98Å; L318-F339 HydrophobicContact CD2-CE2 4.2Å; L318-F339 HydrophobicContact CD2-CZ 3.87Å; L318-F339 HydrophobicContact CG-CE2 4.46Å; D332-F339 PolarHBondContact O-N 3.34Å; D332-F339 VanDerWaalsContact O-O 3.05Å; N333-F339 CarbonylContact C-O 3.48Å; N333-F339 WeakPolarHBondContact CA-O 3.17Å; T334-F339 PolarHBondContact N-O 3.45Å; T334-F339 VanDerWaalsContact N-O 3.16Å; F339-I341 HydrophobicContact CB-CD1 4.23Å; F339-I341 HydrophobicContact CB-CG1 3.84Å; F339-I341 PolarHBondContact O-N 2.91Å
340V98.8Very high98Very high9 Ų926.2 Ų26.26%0.05515%0.152CC..EExtended strand (participates in β ladder)trans-92.7104.1165.1-174.10000108.8D297 V298 V299 Y335 P343 V378D297-V340 PolarHBondContact O-N 2.69Å; D297-V340 VanDerWaalsContact O-N 3.12Å; V298-V340 WeakPolarHBondContact CA-O 3.29Å; V299-V340 PolarHBondContact N-O 2.7Å; Y335-V340 HydrophobicContact CD1-CG1 4.23Å; Y335-V340 HydrophobicContact CD1-CG2 4.16Å; Y335-V340 HydrophobicContact CD2-CG1 4.37Å; Y335-V340 HydrophobicContact CE1-CG1 3.97Å; Y335-V340 HydrophobicContact CE2-CG1 4.11Å; Y335-V340 HydrophobicContact CG-CG1 4.43Å; V340-P343 HydrophobicContact CG1-CB 3.94Å; V340-V378 HydrophobicContact CB-CG1 4.25Å; V340-V378 HydrophobicContact CB-CG2 3.57Å; V340-V378 HydrophobicContact CG1-CG2 3.68Å; V340-V378 HydrophobicContact CG2-CB 4.43Å; V340-V378 HydrophobicContact CG2-CG1 3.8Å; V340-V378 HydrophobicContact CG2-CG2 3.8Å
341I98.9Very high97.9Very high0 Ų019.5 Ų19.50%013%0.127CC..EExtended strand (participates in β ladder)trans-101.6126.9-176.9-53.3-175.2000110.1K184 H188 V299 L301 Y313 L318 N333 F339K184-I341 PolarHBondContact NZ-O 3.36Å; H188-I341 PolarHBondContact CE1-O 2.84Å; H188-I341 PolarHBondContact ND1-O 3.3Å; V299-I341 HydrophobicContact CB-CB 4.46Å; V299-I341 HydrophobicContact CB-CG1 4.16Å; V299-I341 HydrophobicContact CB-CG2 4.25Å; V299-I341 HydrophobicContact CG1-CG2 4.38Å; V299-I341 HydrophobicContact CG2-CG1 4.37Å; L301-I341 HydrophobicContact CD1-CG2 4.32Å; L301-I341 HydrophobicContact CD2-CG2 3.58Å; L301-I341 HydrophobicContact CG-CG2 3.7Å; Y313-I341 HydrophobicContact CD1-CD1 3.78Å; Y313-I341 HydrophobicContact CE1-CD1 3.44Å; Y313-I341 VanDerWaalsContact CE1-CD1 3.44Å; Y313-I341 HydrophobicContact CE1-CG2 4.2Å; L318-I341 HydrophobicContact CD1-CD1 3.79Å; N333-I341 HydrophobicContact CB-CB 4.26Å; N333-I341 HydrophobicContact CB-CD1 3.8Å; N333-I341 HydrophobicContact CB-CG1 4.08Å; N333-I341 PolarHBondContact O-N 2.75Å; F339-I341 HydrophobicContact CB-CD1 4.23Å; F339-I341 HydrophobicContact CB-CG1 3.84Å; F339-I341 PolarHBondContact O-N 2.91Å
342N98.9Very high97.9Very high0 Ų019 Ų190%012%0.119CC..  trans5457.4-177.4-66.3-12.2000112.2N185 H188 V299 E300 L301 D303 E309 S344 G345N185-N342 WeakPolarHBondContact OD1-CB 3.47Å; H188-N342 PolarHBondContact ND1-O 2.96Å; V299-N342 PolarHBondContact O-N 3.06Å; E300-N342 WeakPolarHBondContact CA-OD1 3.38Å; E300-N342 WeakPolarHBondContact OE1-CA 3.37Å; L301-N342 PolarHBondContact N-OD1 2.51Å; L301-N342 PolarHBondContact O-OD1 3.15Å; D303-N342 PolarHBondContact OD1-ND2 3.39Å; E309-N342 PolarHBondContact OE2-ND2 3.15Å; N342-S344 PolarHBondContact O-N 3.04Å; N342-G345 PolarHBondContact O-N 3.43Å
343P98.9Very high97.9Very high0 Ų017.6 Ų17.60%011%0.112CC..THydrogen-bonded Turntrans-56.6-22.9177.425.5-36000112.9V298 E300 Y335 V340 G345 E364 Q368 R376V298-P343 HydrophobicContact CG2-CG 3.76Å; E300-P343 WeakPolarHBondContact OE1-CD 3.28Å; Y335-P343 WeakPolarHBondContact OH-CB 3.33Å; V340-P343 HydrophobicContact CG1-CB 3.94Å; P343-G345 VanDerWaalsContact C-N 3.27Å; P343-G345 PolarHBondContact O-N 3.21Å; P343-E364 HydrophobicContact CG-CG 4.1Å; P343-Q368 HydrophobicContact CG-CG 4.42Å; P343-R376 HydrophobicContact CB-CB 4.48Å; P343-R376 WeakPolarHBondContact O-CD 3.39Å
344S98.8Very high97.9Very high2 Ų217.4 Ų17.41%0.01411%0.111CC..THydrogen-bonded Turntrans-77.5-6.3176.670.40000115.2N192 E300 N342 K350N192-S344 WeakPolarHBondContact CB-O 3.16Å; N192-S344 PolarHBondContact ND2-O 3.23Å; E300-S344 VanDerWaalsContact OE1-CB 3.22Å; E300-S344 WeakPolarHBondContact OE1-CB 3.46Å; E300-S344 PolarHBondContact OE1-N 3.11Å; E300-S344 PolarHBondContact OE1-OG 3.19Å; E300-S344 PolarHBondContact OE2-OG 3.49Å; E300-S344 VanDerWaalsContact OE2-OG 3.11Å; N342-S344 PolarHBondContact O-N 3.04Å; S344-K350 VanDerWaalsContact O-CG 3.24Å; S344-K350 WeakPolarHBondContact O-CG 3.21Å; S344-K350 VanDerWaalsContact OG-CD 3.28Å; S344-K350 WeakPolarHBondContact OG-CD 3.5Å; S344-K350 WeakPolarHBondContact OG-CE 3.24Å; S344-K350 PolarHBondContact OG-NZ 2.97Å
345G98.8Very high97.9Very high0 Ų016.5 Ų16.50%011%0.105CC..  trans93.31.9-173.200000114.9N185 N342 P343 S349N185-G345 WeakPolarHBondContact CB-O 3.24Å; N185-G345 WeakPolarHBondContact O-CA 3.14Å; N342-G345 PolarHBondContact O-N 3.43Å; P343-G345 VanDerWaalsContact C-N 3.27Å; P343-G345 PolarHBondContact O-N 3.21Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.07Å; G345-S349 PolarHBondContact O-OG 2.69Å
346G98.6Very high98Very high0 Ų013 Ų130%09%0.092CC..Hα-helixtrans63.7179.5174.300000113.7D303 I348 S349 K350D303-G346 VanDerWaalsContact OD1-CA 3.3Å; D303-G346 WeakPolarHBondContact OD1-CA 3.43Å; D303-G346 VanDerWaalsContact OD2-CA 3.29Å; D303-G346 WeakPolarHBondContact OD2-CA 3.2Å; G346-I348 PolarHBondContact O-N 3.13Å; G346-S349 PolarHBondContact O-N 2.92Å; G346-K350 VanDerWaalsContact C-CE 3.46Å; G346-K350 WeakPolarHBondContact O-CA 3.42Å; G346-K350 WeakPolarHBondContact O-CB 3.37Å; G346-K350 VanDerWaalsContact O-CE 3.29Å; G346-K350 WeakPolarHBondContact O-CE 3.3Å; G346-K350 VanDerWaalsContact O-CG 3.27Å; G346-K350 WeakPolarHBondContact O-CG 3.29Å; G346-K350 PolarHBondContact O-N 3.35Å
347L98.8Very high98.2Very high2 Ų29 Ų91%0.015%0.049CC..Hα-helixtrans-61.9-31.9175.3-7764000111C222 D303 C304 S349 G351 H352 T357C222-L347 HydrophobicContact CB-CB 3.97Å; C222-L347 WeakPolarHBondContact CB-O 3.4Å; D303-L347 WeakPolarHBondContact OD1-CD1 3.09Å; D303-L347 PolarHBondContact OD1-N 3.27Å; D303-L347 PolarHBondContact OD2-N 3.13Å; D303-L347 VanDerWaalsContact OD2-N 3.09Å; C304-L347 HydrophobicContact CB-CD2 4.18Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 2.85Å; L347-G351 WeakPolarHBondContact O-CA 3.34Å; L347-G351 PolarHBondContact O-N 2.86Å; L347-G351 VanDerWaalsContact O-N 3.09Å; L347-H352 HydrophobicContact CB-CB 4.38Å; L347-H352 HydrophobicContact CD2-CB 4.26Å; L347-H352 WeakPolarHBondContact CD2-ND1 3.38Å; L347-H352 HydrophobicContact CG-CB 4.27Å; L347-T357 HydrophobicContact CD1-CG2 3.81Å; L347-T357 HydrophobicContact CD2-CG2 4.06Å; L347-T357 HydrophobicContact CG-CG2 4.03Å
348I98.8Very high98.4Very high1 Ų17.7 Ų7.71%0.0054%0.035CC..Hα-helixtrans-53.6-43.6178.6-71.5-175.6000111.4A182 N185 H186 L219 P223 D303 G346A182-I348 HydrophobicContact CB-CD1 4.08Å; A182-I348 HydrophobicContact CB-CG2 4.45Å; N185-I348 HydrophobicContact CB-CB 4.14Å; N185-I348 HydrophobicContact CB-CG2 4.33Å; H186-I348 WeakPolarHBondContact NE2-CG2 3.48Å; L219-I348 WeakPolarHBondContact O-CG2 3.42Å; P223-I348 WeakPolarHBondContact CD-O 3.22Å; D303-I348 HydrophobicContact CB-CG1 4.38Å; D303-I348 VanDerWaalsContact O-CG1 3.27Å; D303-I348 WeakPolarHBondContact O-CG1 3.37Å; D303-I348 WeakPolarHBondContact OD2-CG1 3.43Å; D303-I348 PolarHBondContact OD2-N 2.97Å; D303-I348 VanDerWaalsContact OD2-N 3.07Å; G346-I348 PolarHBondContact O-N 3.13Å
349S98.4Very high98.6Very high0 Ų01.9 Ų1.90%01%0.01CC..Hα-helixtrans-107.1-40.9-176.5-50.80000113.4N185 H186 S195 F197 G345 G346 L347 G351N185-S349 PolarHBondContact O-OG 3.11Å; H186-S349 VanDerWaalsContact CA-OG 3.26Å; H186-S349 WeakPolarHBondContact CA-OG 3.32Å; H186-S349 PolarHBondContact CE1-OG 3.31Å; H186-S349 PolarHBondContact N-OG 3.28Å; H186-S349 PolarHBondContact ND1-OG 3.09Å; S195-S349 PolarHBondContact OG-O 2.96Å; S195-S349 VanDerWaalsContact OG-O 3.07Å; F197-S349 PolarHBondContact N-O 3.26Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.07Å; G345-S349 PolarHBondContact O-OG 2.69Å; G346-S349 PolarHBondContact O-N 2.92Å; L347-S349 VanDerWaalsContact C-N 3.26Å; L347-S349 PolarHBondContact O-N 2.85Å; S349-G351 PolarHBondContact O-N 3.35Å
350K97.2Very high98.6Very high6 Ų61.8 Ų1.83%0.0261%0.01CC..Hα-helixtrans-61.8-34.9178-69.3-175.8-74.7-169.50111.9F21 S195 Q196 E300 S344 G346F21-K350 WeakPolarHBondContact CB-O 3.22Å; F21-K350 HydrophobicContact CD2-CB 4.36Å; S195-K350 VanDerWaalsContact OG-CA 3.22Å; S195-K350 WeakPolarHBondContact OG-CA 3.5Å; S195-K350 PolarHBondContact OG-N 3.14Å; Q196-K350 WeakPolarHBondContact CB-O 3.27Å; Q196-K350 PolarHBondContact N-O 2.95Å; Q196-K350 VanDerWaalsContact N-O 3.14Å; E300-K350 IonicContact OE1-NZ 2.95Å; E300-K350 IonicContact OE2-NZ 3.34Å; E300-K350 PolarHBondContact OE2-NZ 2.68Å; S344-K350 VanDerWaalsContact O-CG 3.24Å; S344-K350 WeakPolarHBondContact O-CG 3.21Å; S344-K350 VanDerWaalsContact OG-CD 3.28Å; S344-K350 WeakPolarHBondContact OG-CD 3.5Å; S344-K350 WeakPolarHBondContact OG-CE 3.24Å; S344-K350 PolarHBondContact OG-NZ 2.97Å; G346-K350 VanDerWaalsContact C-CE 3.46Å; G346-K350 WeakPolarHBondContact O-CA 3.42Å; G346-K350 WeakPolarHBondContact O-CB 3.37Å; G346-K350 VanDerWaalsContact O-CE 3.29Å; G346-K350 WeakPolarHBondContact O-CE 3.3Å; G346-K350 VanDerWaalsContact O-CG 3.27Å; G346-K350 WeakPolarHBondContact O-CG 3.29Å; G346-K350 PolarHBondContact O-N 3.35Å
351G97.5Very high98.6Very high1 Ų11.4 Ų1.41%0.011%0.007CC..  trans92.4169.4-166.800000113.4S225 L347 S349S225-G351 WeakPolarHBondContact OG-CA 3.26Å; L347-G351 WeakPolarHBondContact O-CA 3.34Å; L347-G351 PolarHBondContact O-N 2.86Å; L347-G351 VanDerWaalsContact O-N 3.09Å; S349-G351 PolarHBondContact O-N 3.35Å
352H98.3Very high98.6Very high10 Ų101.4 Ų1.45%0.0461%0.007CC..  trans-134.169.2-163.8-172.132.6000113.3C91 M121 C222 P223 S225 H302 L347 L354 T357C91-H352 WeakPolarHBondContact CB-NE2 3.41Å; C91-H352 PolarHBondContact SG-NE2 3.17Å; M121-H352 VanDerWaalsContact SD-O 3.34Å; C222-H352 HydrophobicContact CB-CB 4.09Å; P223-H352 PolarHBondContact O-N 3.1Å; S225-H352 PolarHBondContact OG-N 3.05Å; H302-H352 AromaticContact CE1-CE1 3.53Å; H302-H352 AromaticContact CE1-NE2 3.84Å; H302-H352 AromaticContact NE2-CE1 3.99Å; H302-H352 AromaticContact NE2-NE2 3.86Å; L347-H352 HydrophobicContact CB-CB 4.38Å; L347-H352 HydrophobicContact CD2-CB 4.26Å; L347-H352 WeakPolarHBondContact CD2-ND1 3.38Å; L347-H352 HydrophobicContact CG-CB 4.27Å; H352-L354 WeakPolarHBondContact NE2-CD2 3.27Å; H352-L354 PolarHBondContact O-N 2.89Å; H352-T357 PolarHBondContact CE1-OG1 3.44Å; H352-T357 PolarHBondContact ND1-OG1 3.49Å
353P98.3Very high98.6Very high0 Ų01.4 Ų1.40%01%0.007CC..  trans-68115.6163.425.7-24.2000108.7F21 E119 S225 G355 A356 T357F21-P353 HydrophobicContact CD1-CG 3.74Å; F21-P353 HydrophobicContact CD2-CG 3.52Å; F21-P353 HydrophobicContact CE1-CG 3.52Å; F21-P353 HydrophobicContact CE2-CG 3.29Å; F21-P353 HydrophobicContact CG-CG 3.74Å; F21-P353 HydrophobicContact CZ-CG 3.28Å; E119-P353 HydrophobicContact CB-CB 3.63Å; S225-P353 WeakPolarHBondContact O-CA 3.3Å; S225-P353 WeakPolarHBondContact O-CB 3.49Å; P353-G355 PolarHBondContact O-N 2.94Å; P353-A356 HydrophobicContact CB-CB 4.06Å; P353-A356 HydrophobicContact CG-CB 3.89Å; P353-A356 PolarHBondContact O-N 3.45Å; P353-A356 VanDerWaalsContact O-N 3.13Å; P353-T357 PolarHBondContact O-N 3.12Å; P353-T357 PolarHBondContact O-OG1 3.1Å
354L98.2Very high98.6Very high2 Ų21.5 Ų1.51%0.011%0.008CC..Hα-helixtrans-58.5-53-165.6-47.4177.6000112V62 Y63 E119 M121 L126 H352 A356V62-L354 HydrophobicContact CB-CB 4.38Å; V62-L354 HydrophobicContact CB-CD1 3.98Å; V62-L354 HydrophobicContact CG1-CD1 4.07Å; V62-L354 HydrophobicContact CG2-CB 3.77Å; V62-L354 HydrophobicContact CG2-CD1 3.99Å; Y63-L354 HydrophobicContact CD2-CD1 4.37Å; Y63-L354 HydrophobicContact CE2-CD1 3.73Å; E119-L354 HydrophobicContact CG-CB 4.23Å; E119-L354 HydrophobicContact CG-CG 4.3Å; E119-L354 WeakPolarHBondContact OE2-CB 3.29Å; M121-L354 HydrophobicContact CE-CD1 4.24Å; M121-L354 HydrophobicContact CE-CD2 4.1Å; M121-L354 HydrophobicContact CE-CG 3.91Å; M121-L354 HydrophobicContact SD-CG 4.49Å; L126-L354 HydrophobicContact CD1-CD1 4.3Å; L126-L354 HydrophobicContact CD1-CD2 4.29Å; L126-L354 HydrophobicContact CD2-CD1 4.44Å; H352-L354 WeakPolarHBondContact NE2-CD2 3.27Å; H352-L354 PolarHBondContact O-N 2.89Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.19Å
355G98.5Very high98.6Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-62.6-28.3177.500000115.1G94 G117 E119 P353G94-G355 WeakPolarHBondContact CA-O 3.24Å; G94-G355 PolarHBondContact N-O 3.21Å; G117-G355 WeakPolarHBondContact CA-O 3.43Å; E119-G355 PolarHBondContact OE2-N 2.84Å; P353-G355 PolarHBondContact O-N 2.94Å
356A98.8Very high98.6Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-97.1-19.2-173.400000114.7F21 G117 P353 L354 G358 L359 A360F21-A356 HydrophobicContact CE1-CB 4.13Å; F21-A356 HydrophobicContact CZ-CB 3.92Å; G117-A356 WeakPolarHBondContact O-CB 3.38Å; P353-A356 HydrophobicContact CB-CB 4.06Å; P353-A356 HydrophobicContact CG-CB 3.89Å; P353-A356 PolarHBondContact O-N 3.45Å; P353-A356 VanDerWaalsContact O-N 3.13Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.19Å; A356-G358 PolarHBondContact O-N 2.93Å; A356-L359 PolarHBondContact O-N 3.45Å; A356-L359 VanDerWaalsContact O-N 3.09Å; A356-A360 PolarHBondContact O-N 3.29Å
357T98.9Very high98.6Very high4 Ų42.8 Ų2.83%0.0251%0.013CC..Hα-helixtrans-56.5-49.2-171.2-71.30000113.2L347 H352 P353 L359 A360 Q361L347-T357 HydrophobicContact CD1-CG2 3.81Å; L347-T357 HydrophobicContact CD2-CG2 4.06Å; L347-T357 HydrophobicContact CG-CG2 4.03Å; H352-T357 PolarHBondContact CE1-OG1 3.44Å; H352-T357 PolarHBondContact ND1-OG1 3.49Å; P353-T357 PolarHBondContact O-N 3.12Å; P353-T357 PolarHBondContact O-OG1 3.1Å; T357-L359 VanDerWaalsContact C-N 3.25Å; T357-L359 PolarHBondContact O-N 3.07Å; T357-A360 PolarHBondContact O-N 2.74Å; T357-Q361 WeakPolarHBondContact O-CG 3.36Å; T357-Q361 PolarHBondContact O-N 3.15Å
358G98.9Very high98.6Very high0 Ų02.7 Ų2.70%01%0.012CC..Hα-helixtrans-62.1-31.7179.300000113.8S95 A356 C362 Q386 N388S95-G358 VanDerWaalsContact OG-CA 3.29Å; S95-G358 WeakPolarHBondContact OG-CA 3.42Å; A356-G358 PolarHBondContact O-N 2.93Å; G358-C362 PolarHBondContact O-N 3.13Å; G358-C362 VanDerWaalsContact O-N 3.14Å; G358-Q386 PolarHBondContact O-NE2 3.33Å; G358-N388 WeakPolarHBondContact CA-OD1 3.45Å
359L98.9Very high98.6Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-80.9-31.3178.2-68.7163.2000111.9L98 A115 G229 A231 A356 T357 C362 A363L98-L359 HydrophobicContact CB-CD2 4.24Å; L98-L359 HydrophobicContact CD1-CD2 4.47Å; A115-L359 HydrophobicContact CB-CD2 3.84Å; G229-L359 VanDerWaalsContact O-CD1 3.24Å; G229-L359 WeakPolarHBondContact O-CD1 3.39Å; A231-L359 HydrophobicContact CB-CD2 3.94Å; A356-L359 PolarHBondContact O-N 3.45Å; A356-L359 VanDerWaalsContact O-N 3.09Å; T357-L359 VanDerWaalsContact C-N 3.25Å; T357-L359 PolarHBondContact O-N 3.07Å; L359-C362 WeakPolarHBondContact O-CB 3.39Å; L359-C362 PolarHBondContact O-N 3.39Å; L359-A363 WeakPolarHBondContact O-CB 3.22Å; L359-A363 PolarHBondContact O-N 3.09Å
360A98.9Very high98.5Very high1 Ų13.6 Ų3.61%0.0082%0.016CC..Hα-helixtrans-67.5-37.4170.900000112.6M18 F21 A356 T357 A363 E364M18-A360 HydrophobicContact CE-CB 3.64Å; M18-A360 HydrophobicContact SD-CB 4.02Å; F21-A360 HydrophobicContact CE1-CB 4.49Å; F21-A360 HydrophobicContact CE2-CB 3.93Å; F21-A360 HydrophobicContact CZ-CB 3.55Å; A356-A360 PolarHBondContact O-N 3.29Å; T357-A360 PolarHBondContact O-N 2.74Å; A360-A363 PolarHBondContact O-N 2.83Å; A360-E364 PolarHBondContact O-N 3.18Å; A360-E364 VanDerWaalsContact O-N 3.08Å
361Q99Very high98.4Very high0 Ų05.3 Ų5.30%04%0.036CC..Hα-helixtrans-61.4-47.8170.5-68.7175.7-39.300110.7E300 L301 T357 A363 E364 L365 Q386 H387E300-Q361 HydrophobicContact CB-CB 3.92Å; E300-Q361 HydrophobicContact CB-CG 4.02Å; L301-Q361 PolarHBondContact O-NE2 3.31Å; T357-Q361 WeakPolarHBondContact O-CG 3.36Å; T357-Q361 PolarHBondContact O-N 3.15Å; Q361-A363 VanDerWaalsContact C-N 3.31Å; Q361-A363 PolarHBondContact O-N 2.83Å; Q361-E364 PolarHBondContact O-N 3.42Å; Q361-L365 WeakPolarHBondContact O-CG 3.2Å; Q361-L365 PolarHBondContact O-N 3.41Å; Q361-L365 VanDerWaalsContact O-N 3.07Å; Q361-Q386 HydrophobicContact CB-CG 3.9Å; Q361-Q386 VanDerWaalsContact OE1-NE2 3.17Å; Q361-H387 PolarHBondContact NE2-O 2.76Å
362C98.9Very high98.4Very high0 Ų010.3 Ų10.30%06%0.059CC..Hα-helixtrans-57.2-43175.6-178.80000112L98 G358 L359 L365 C366L98-C362 HydrophobicContact CD2-CB 4.08Å; G358-C362 PolarHBondContact O-N 3.13Å; G358-C362 VanDerWaalsContact O-N 3.14Å; L359-C362 WeakPolarHBondContact O-CB 3.39Å; L359-C362 PolarHBondContact O-N 3.39Å; C362-L365 PolarHBondContact O-N 2.95Å; C362-C366 WeakPolarHBondContact O-CB 3.5Å; C362-C366 PolarHBondContact O-N 2.7Å; C362-C366 PolarHBondContact O-SG 2.78Å
363A98.9Very high98.1Very high0 Ų010 Ų100%06%0.057CC..Hα-helixtrans-60.9-49178.500000112.1V16 L359 A360 Q361 L365 C366 W367V16-A363 HydrophobicContact CB-CB 3.89Å; V16-A363 HydrophobicContact CG1-CB 4.47Å; V16-A363 HydrophobicContact CG2-CB 4.1Å; L359-A363 WeakPolarHBondContact O-CB 3.22Å; L359-A363 PolarHBondContact O-N 3.09Å; A360-A363 PolarHBondContact O-N 2.83Å; Q361-A363 VanDerWaalsContact C-N 3.31Å; Q361-A363 PolarHBondContact O-N 2.83Å; A363-L365 PolarHBondContact O-N 2.92Å; A363-C366 PolarHBondContact O-N 2.56Å; A363-W367 HydrophobicContact CB-CH2 4.04Å; A363-W367 HydrophobicContact CB-CZ2 4.16Å; A363-W367 HydrophobicContact CB-CZ3 4.24Å; A363-W367 VanDerWaalsContact O-CD2 3.26Å; A363-W367 VanDerWaalsContact O-CG 3.31Å; A363-W367 PolarHBondContact O-N 3Å
364E98.9Very high97.9Very high3 Ų312.6 Ų12.61%0.0149%0.085CC..Hα-helixtrans-59.9-48.2177.8178.268.6-170.200111.5E300 P343 A360 Q361 C366 W367 Q368 R376E300-E364 HydrophobicContact CG-CB 4.19Å; E300-E364 HydrophobicContact CG-CG 4.09Å; P343-E364 HydrophobicContact CG-CG 4.1Å; A360-E364 PolarHBondContact O-N 3.18Å; A360-E364 VanDerWaalsContact O-N 3.08Å; Q361-E364 PolarHBondContact O-N 3.42Å; E364-C366 VanDerWaalsContact C-N 3.31Å; E364-C366 PolarHBondContact O-N 2.96Å; E364-W367 PolarHBondContact O-N 3.44Å; E364-W367 VanDerWaalsContact O-N 3.15Å; E364-Q368 HydrophobicContact CG-CG 4.27Å; E364-Q368 VanDerWaalsContact O-CG 3.23Å; E364-Q368 WeakPolarHBondContact O-CG 3.34Å; E364-Q368 PolarHBondContact O-N 3.35Å; E364-Q368 PolarHBondContact OE1-NE2 2.95Å; E364-R376 IonicContact OE1-NE 2.74Å; E364-R376 PolarHBondContact OE1-NE 3.4Å; E364-R376 IonicContact OE2-CZ 2.73Å; E364-R376 IonicContact OE2-NE 3.61Å; E364-R376 PolarHBondContact OE2-NE 3Å; E364-R376 IonicContact OE2-NH2 2.68Å; E364-R376 PolarHBondContact OE2-NH2 3.42Å
365L98.9Very high97.7Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-64.6-36-179.4-62.6-174.8000112.3V298 E300 Q361 C362 A363 Q368 L369 A384 L385 Q386 Y400V298-L365 HydrophobicContact CG1-CD2 4.24Å; V298-L365 HydrophobicContact CG2-CD2 4.1Å; E300-L365 HydrophobicContact CB-CD1 4.22Å; E300-L365 HydrophobicContact CB-CD2 3.9Å; E300-L365 HydrophobicContact CB-CG 4.02Å; E300-L365 HydrophobicContact CG-CD2 3.66Å; E300-L365 HydrophobicContact CG-CG 4.01Å; Q361-L365 WeakPolarHBondContact O-CG 3.2Å; Q361-L365 PolarHBondContact O-N 3.41Å; Q361-L365 VanDerWaalsContact O-N 3.07Å; C362-L365 PolarHBondContact O-N 2.95Å; A363-L365 PolarHBondContact O-N 2.92Å; L365-Q368 PolarHBondContact O-N 3.39Å; L365-L369 WeakPolarHBondContact O-CG 3.5Å; L365-L369 PolarHBondContact O-N 3.05Å; L365-A384 HydrophobicContact CB-CB 3.94Å; L365-A384 HydrophobicContact CD1-CB 4.09Å; L365-A384 HydrophobicContact CD2-CB 4.02Å; L365-A384 HydrophobicContact CG-CB 4.22Å; L365-L385 WeakPolarHBondContact CD1-O 3.5Å; L365-Q386 HydrophobicContact CD1-CB 3.66Å; L365-Y400 HydrophobicContact CB-CD2 4.49Å; L365-Y400 HydrophobicContact CD1-CD2 3.91Å; L365-Y400 HydrophobicContact CD1-CE2 3.87Å
366C98.9Very high97.7Very high1 Ų122.3 Ų22.31%0.00712%0.121CC..Hα-helixtrans-64.2-43.5172.9-700000111.6V16 V249 C362 A363 E364 Q368 R370V16-C366 HydrophobicContact CG1-CB 4.01Å; V16-C366 HydrophobicContact CG2-CB 4.24Å; V249-C366 HydrophobicContact CG2-CB 4.13Å; C362-C366 WeakPolarHBondContact O-CB 3.5Å; C362-C366 PolarHBondContact O-N 2.7Å; C362-C366 PolarHBondContact O-SG 2.78Å; A363-C366 PolarHBondContact O-N 2.56Å; E364-C366 VanDerWaalsContact C-N 3.31Å; E364-C366 PolarHBondContact O-N 2.96Å; C366-Q368 VanDerWaalsContact C-N 3.35Å; C366-R370 VanDerWaalsContact O-CB 3.24Å; C366-R370 WeakPolarHBondContact O-CB 3.39Å; C366-R370 WeakPolarHBondContact O-CD 3.31Å; C366-R370 WeakPolarHBondContact O-CG 3.27Å; C366-R370 PolarHBondContact O-N 2.91Å
367W98.8Very high97.7Very high27 Ų2724.7 Ų24.710%0.10213%0.132CC..Hα-helixtrans-63.3-40.5175.2-64.7-36.2000112.2V16 M18 Y194 A363 E364 R370 G371 Q372 A373V16-W367 HydrophobicContact CG2-CZ2 4.3Å; M18-W367 HydrophobicContact CG-CH2 3.84Å; M18-W367 HydrophobicContact SD-CH2 3.83Å; M18-W367 HydrophobicContact SD-CZ3 4.04Å; Y194-W367 HydrophobicContact CD2-CH2 4.21Å; Y194-W367 HydrophobicContact CD2-CZ3 4.22Å; Y194-W367 AromaticContact CE2-CH2 3.75Å; Y194-W367 HydrophobicContact CE2-CH2 3.75Å; Y194-W367 HydrophobicContact CE2-CZ3 4.04Å; A363-W367 HydrophobicContact CB-CH2 4.04Å; A363-W367 HydrophobicContact CB-CZ2 4.16Å; A363-W367 HydrophobicContact CB-CZ3 4.24Å; A363-W367 VanDerWaalsContact O-CD2 3.26Å; A363-W367 VanDerWaalsContact O-CG 3.31Å; A363-W367 PolarHBondContact O-N 3Å; E364-W367 PolarHBondContact O-N 3.44Å; E364-W367 VanDerWaalsContact O-N 3.15Å; W367-R370 PolarHBondContact O-N 2.94Å; W367-G371 PolarHBondContact O-N 2.73Å; W367-G371 VanDerWaalsContact O-N 3.13Å; W367-Q372 HydrophobicContact CB-CB 4.47Å; W367-Q372 PolarHBondContact O-N 2.93Å; W367-A373 HydrophobicContact CB-CB 4.23Å; W367-A373 PolarHBondContact O-N 3.36Å
368Q98.7Very high97.5Very high1 Ų125 Ų251%0.00513%0.134CC..Hα-helixtrans-60.4-50.7177.4-69.9-72-4.500111.4V298 P343 E364 L365 C366 R370 G371 A373 R376 Q377V298-Q368 HydrophobicContact CG1-CB 4.27Å; V298-Q368 HydrophobicContact CG2-CG 4.16Å; P343-Q368 HydrophobicContact CG-CG 4.42Å; E364-Q368 HydrophobicContact CG-CG 4.27Å; E364-Q368 VanDerWaalsContact O-CG 3.23Å; E364-Q368 WeakPolarHBondContact O-CG 3.34Å; E364-Q368 PolarHBondContact O-N 3.35Å; E364-Q368 PolarHBondContact OE1-NE2 2.95Å; L365-Q368 PolarHBondContact O-N 3.39Å; C366-Q368 VanDerWaalsContact C-N 3.35Å; Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.39Å; Q368-G371 PolarHBondContact O-N 3.24Å; Q368-G371 VanDerWaalsContact O-N 3.16Å; Q368-A373 VanDerWaalsContact CD-CB 3.41Å; Q368-A373 HydrophobicContact CG-CB 3.99Å; Q368-R376 PolarHBondContact NE2-O 3.43Å; Q368-Q377 PolarHBondContact O-NE2 3.04Å
369L98.4Very high97.1Very high7 Ų730.4 Ų30.44%0.03717%0.169CC..Hα-helixtrans-67.7-29.3179.8-67.7177.1000113.2V249 L365 G371 N382 A384 M402V249-L369 HydrophobicContact CG1-CD1 3.72Å; L365-L369 WeakPolarHBondContact O-CG 3.5Å; L365-L369 PolarHBondContact O-N 3.05Å; L369-G371 VanDerWaalsContact C-N 3.3Å; L369-N382 VanDerWaalsContact CD2-C 3.49Å; L369-A384 HydrophobicContact CD1-CB 3.77Å; L369-A384 HydrophobicContact CD2-CB 4.09Å; L369-A384 HydrophobicContact CG-CB 3.93Å; L369-M402 HydrophobicContact CB-CG 4.33Å; L369-M402 HydrophobicContact CB-SD 4.09Å; L369-M402 WeakPolarHBondContact O-CG 3.17Å
370R97.4Very high96.5Very high13 Ų1334 Ų345%0.04921%0.206CC..THydrogen-bonded Turntrans-80.5-6.1175.4-73.6167.554.3173.3-7.4113.8D46 V249 C366 W367 Q368 Q372 M402D46-R370 IonicContact OD1-CZ 3.7Å; D46-R370 IonicContact OD1-NH1 3.71Å; D46-R370 PolarHBondContact OD1-NH1 3.33Å; D46-R370 IonicContact OD1-NH2 3.71Å; D46-R370 PolarHBondContact OD1-NH2 3.39Å; D46-R370 IonicContact OD2-CZ 2.71Å; D46-R370 IonicContact OD2-NH1 3.47Å; D46-R370 PolarHBondContact OD2-NH1 3.03Å; D46-R370 IonicContact OD2-NH2 3.45Å; V249-R370 HydrophobicContact CG2-CG 3.97Å; C366-R370 VanDerWaalsContact O-CB 3.24Å; C366-R370 WeakPolarHBondContact O-CB 3.39Å; C366-R370 WeakPolarHBondContact O-CD 3.31Å; C366-R370 WeakPolarHBondContact O-CG 3.27Å; C366-R370 PolarHBondContact O-N 2.91Å; W367-R370 PolarHBondContact O-N 2.94Å; Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.39Å; R370-Q372 HydrophobicContact CB-CB 4.43Å; R370-Q372 HydrophobicContact CB-CG 4.13Å; R370-Q372 VanDerWaalsContact CZ-OE1 3.25Å; R370-Q372 VanDerWaalsContact NE-OE1 3.17Å; R370-M402 HydrophobicContact CG-CE 4.14Å; R370-M402 HydrophobicContact CG-SD 3.89Å
371G95.2Very high96.2Very high42 Ų4234.7 Ų34.743%0.43321%0.212SC..THydrogen-bonded Turntrans72.227.3-175.100000113.9W367 Q368 L369 Q377W367-G371 PolarHBondContact O-N 2.73Å; W367-G371 VanDerWaalsContact O-N 3.13Å; Q368-G371 PolarHBondContact O-N 3.24Å; Q368-G371 VanDerWaalsContact O-N 3.16Å; L369-G371 VanDerWaalsContact C-N 3.3Å; G371-Q377 VanDerWaalsContact CA-OE1 3.23Å
372Q95.8Very high96.1Very high106 Ų10638.3 Ų38.350%0.49523%0.231SC..  trans-118.912-170.7-67.5177.7200113.4W367 R370 G374W367-Q372 HydrophobicContact CB-CB 4.47Å; W367-Q372 PolarHBondContact O-N 2.93Å; R370-Q372 HydrophobicContact CB-CB 4.43Å; R370-Q372 HydrophobicContact CB-CG 4.13Å; R370-Q372 VanDerWaalsContact CZ-OE1 3.25Å; R370-Q372 VanDerWaalsContact NE-OE1 3.17Å; Q372-G374 PolarHBondContact O-N 3.06Å
373A92.4Very high96.1Very high2 Ų238.5 Ų38.52%0.01723%0.232CC..  trans-81.63.3-178.700000114W367 Q368 R375 R376 Q377W367-A373 HydrophobicContact CB-CB 4.23Å; W367-A373 PolarHBondContact O-N 3.36Å; Q368-A373 VanDerWaalsContact CD-CB 3.41Å; Q368-A373 HydrophobicContact CG-CB 3.99Å; A373-R375 PolarHBondContact O-N 2.74Å; A373-R376 HydrophobicContact CB-CB 4.29Å; A373-R376 WeakPolarHBondContact O-CB 3.46Å; A373-R376 PolarHBondContact O-N 3.37Å; A373-Q377 HydrophobicContact CB-CB 4.45Å
374G93.8Very high96.1Very high56 Ų5638.5 Ų38.558%0.57723%0.232SC*.G310 helixtrans58.1-127.5175.300000112.3Q372 R376 Q377Q372-G374 PolarHBondContact O-N 3.06Å; G374-R376 PolarHBondContact O-N 3.32Å; G374-Q377 WeakPolarHBondContact O-CB 3.37Å; G374-Q377 PolarHBondContact O-N 3.36Å
375R95.3Very high96.1Very high190 Ų19038.3 Ų38.372%0.71723%0.232SC*.G310 helixtrans-62.1-13.9178.5-72.3-179.958.5175.3-3.3114.3N191 A373N191-R375 HydrophobicContact CB-CB 3.89Å; N191-R375 PolarHBondContact OD1-NE 3.34Å; N191-R375 PolarHBondContact OD1-NH2 3.49Å; A373-R375 PolarHBondContact O-N 2.74Å
376R98.1Very high96.1Very high16 Ų1638.3 Ų38.36%0.0623%0.232CC..G310 helixtrans-93.1-5.1177-57.3-177.4-57.1-70.80.7112.9N191 Y335 P343 E364 Q368 A373 G374 V378N191-R376 HydrophobicContact CB-CG 3.57Å; N191-R376 WeakPolarHBondContact O-CG 3.36Å; N191-R376 PolarHBondContact O-NH1 3.49Å; Y335-R376 VanDerWaalsContact OH-C 3.27Å; Y335-R376 VanDerWaalsContact OH-CA 3.29Å; Y335-R376 WeakPolarHBondContact OH-CA 3.46Å; Y335-R376 PolarHBondContact OH-O 2.93Å; P343-R376 HydrophobicContact CB-CB 4.48Å; P343-R376 WeakPolarHBondContact O-CD 3.39Å; E364-R376 IonicContact OE1-NE 2.74Å; E364-R376 PolarHBondContact OE1-NE 3.4Å; E364-R376 IonicContact OE2-CZ 2.73Å; E364-R376 IonicContact OE2-NE 3.61Å; E364-R376 PolarHBondContact OE2-NE 3Å; E364-R376 IonicContact OE2-NH2 2.68Å; E364-R376 PolarHBondContact OE2-NH2 3.42Å; Q368-R376 PolarHBondContact NE2-O 3.43Å; A373-R376 HydrophobicContact CB-CB 4.29Å; A373-R376 WeakPolarHBondContact O-CB 3.46Å; A373-R376 PolarHBondContact O-N 3.37Å; G374-R376 PolarHBondContact O-N 3.32Å; R376-V378 PolarHBondContact O-N 3.09Å
377Q98.3Very high96.1Very high50 Ų5038.3 Ų38.323%0.23423%0.231CC..  trans-55.4126.2-170.9-173.76252.900112Q368 G371 A373 G374 P379Q368-Q377 PolarHBondContact O-NE2 3.04Å; G371-Q377 VanDerWaalsContact CA-OE1 3.23Å; A373-Q377 HydrophobicContact CB-CB 4.45Å; G374-Q377 WeakPolarHBondContact O-CB 3.37Å; G374-Q377 PolarHBondContact O-N 3.36Å; Q377-P379 WeakPolarHBondContact O-CD 3.38Å
378V95.9Very high96.1Very high9 Ų937 Ų376%0.05523%0.226CC..  trans-84.6114.7168.2-178.10000107.4V298 Y335 V340 R376 G380 A381V298-V378 HydrophobicContact CB-CG2 4.18Å; V298-V378 HydrophobicContact CG2-CG2 3.91Å; Y335-V378 HydrophobicContact CE1-CG2 4.18Å; V340-V378 HydrophobicContact CB-CG1 4.25Å; V340-V378 HydrophobicContact CB-CG2 3.57Å; V340-V378 HydrophobicContact CG1-CG2 3.68Å; V340-V378 HydrophobicContact CG2-CB 4.43Å; V340-V378 HydrophobicContact CG2-CG1 3.8Å; V340-V378 HydrophobicContact CG2-CG2 3.8Å; R376-V378 PolarHBondContact O-N 3.09Å; V378-G380 PolarHBondContact O-N 3.06Å; V378-A381 HydrophobicContact CB-CB 4.03Å; V378-A381 HydrophobicContact CG1-CB 4.07Å; V378-A381 PolarHBondContact O-N 3.37Å
379P90.4Very high96.1Very high115 Ų11537.1 Ų37.175%0.74723%0.227SC*.THydrogen-bonded Turntrans-62.6127.4-177.3-23.434.9000111.4Q377 A381Q377-P379 WeakPolarHBondContact O-CD 3.38Å; P379-A381 VanDerWaalsContact C-N 3.28Å; P379-A381 PolarHBondContact O-N 3.46Å
380G85.5Confident96.1Very high75 Ų7536.8 Ų36.877%0.77323%0.226SC*.THydrogen-bonded Turntrans73.710.2174.400000116V378 N382V378-G380 PolarHBondContact O-N 3.06Å; G380-N382 PolarHBondContact O-N 3.47Å
381A93.6Very high96.1Very high15 Ų1537.2 Ų37.212%0.12423%0.229CC..  trans-56128.2178.500000112D297 V298 V378 P379D297-A381 HydrophobicContact CB-CB 4.1Å; V298-A381 HydrophobicContact CG1-CB 4.11Å; V378-A381 HydrophobicContact CB-CB 4.03Å; V378-A381 HydrophobicContact CG1-CB 4.07Å; V378-A381 PolarHBondContact O-N 3.37Å; P379-A381 VanDerWaalsContact C-N 3.28Å; P379-A381 PolarHBondContact O-N 3.46Å
382N95.8Very high96.2Very high76 Ų7637 Ų3741%0.40623%0.226SC..  trans-128.9-29.9-175-178.245.2000112.4D297 L369 G380D297-N382 WeakPolarHBondContact OD2-CA 3.47Å; D297-N382 PolarHBondContact OD2-N 3.39Å; L369-N382 VanDerWaalsContact CD2-C 3.49Å; G380-N382 PolarHBondContact O-N 3.47Å
383V98.8Very high96.2Very high4 Ų432.2 Ų32.22%0.02421%0.206CC..  trans-122.4121.1175.5-178.90000109.1L291 D295 V296 D297 V298 I399 K401L291-V383 HydrophobicContact CD1-CG1 3.87Å; L291-V383 HydrophobicContact CD1-CG2 4.26Å; D295-V383 VanDerWaalsContact O-CB 3.26Å; D295-V383 WeakPolarHBondContact O-CB 3.27Å; D295-V383 WeakPolarHBondContact O-CG2 3.29Å; V296-V383 HydrophobicContact CG2-CG1 4.15Å; D297-V383 PolarHBondContact N-O 3.44Å; D297-V383 PolarHBondContact OD2-N 3.38Å; V298-V383 PolarHBondContact N-O 3.34Å; V383-I399 HydrophobicContact CG1-CG2 3.88Å; V383-K401 HydrophobicContact CG2-CD 4.23Å; V383-K401 HydrophobicContact CG2-CG 4.3Å
384A98.9Very high96.5Very high0 Ų032.1 Ų32.10%021%0.205CC..EExtended strand (participates in β ladder)trans-114.4140.617700000111.1V298 L365 L369 I399 Y400V298-A384 HydrophobicContact CG1-CB 3.58Å; V298-A384 VanDerWaalsContact O-CA 3.32Å; V298-A384 WeakPolarHBondContact O-CA 3.4Å; L365-A384 HydrophobicContact CB-CB 3.94Å; L365-A384 HydrophobicContact CD1-CB 4.09Å; L365-A384 HydrophobicContact CD2-CB 4.02Å; L365-A384 HydrophobicContact CG-CB 4.22Å; L369-A384 HydrophobicContact CD1-CB 3.77Å; L369-A384 HydrophobicContact CD2-CB 4.09Å; L369-A384 HydrophobicContact CG-CB 3.93Å; A384-I399 CarbonylContact O-C 3.54Å; A384-I399 WeakPolarHBondContact O-CA 3.31Å; A384-Y400 PolarHBondContact N-O 2.93Å; A384-Y400 PolarHBondContact O-N 3.21Å
385L98.9Very high96.8Very high0 Ų029.5 Ų29.50%018%0.177CC..EExtended strand (participates in β ladder)trans-121128177.6-174.8152.5000110.9F286 V296 V298 V299 E300 L316 L365 H387 V397 T398 I399F286-L385 HydrophobicContact CE1-CD1 4.05Å; F286-L385 HydrophobicContact CE2-CD1 4.08Å; F286-L385 HydrophobicContact CZ-CD1 3.39Å; V296-L385 HydrophobicContact CG1-CB 3.78Å; V296-L385 HydrophobicContact CG2-CB 4.24Å; V296-L385 HydrophobicContact CG2-CD1 4.18Å; V298-L385 PolarHBondContact O-N 3.32Å; V299-L385 CarbonylContact C-O 3.48Å; V299-L385 VanDerWaalsContact CA-O 3.29Å; V299-L385 WeakPolarHBondContact CA-O 3.46Å; V299-L385 HydrophobicContact CG1-CD2 4.01Å; V299-L385 HydrophobicContact CG2-CB 4.43Å; E300-L385 PolarHBondContact N-O 2.93Å; L316-L385 HydrophobicContact CD1-CD2 3.78Å; L316-L385 HydrophobicContact CD2-CD2 4.26Å; L365-L385 WeakPolarHBondContact CD1-O 3.5Å; L385-H387 HydrophobicContact CD2-CB 4.36Å; L385-V397 HydrophobicContact CD2-CG1 4.46Å; L385-V397 HydrophobicContact CG-CG1 4.35Å; L385-T398 WeakPolarHBondContact CA-O 3.24Å; L385-I399 HydrophobicContact CD1-CG1 4.44Å
386Q99Very high96.9Very high0 Ų020.4 Ų20.40%014%0.143CC..EExtended strand (participates in β ladder)trans-104.1138.1170.4-179.3170.9-18.800110.8S95 E300 G358 Q361 L365 V397 T398 Y400S95-Q386 PolarHBondContact OG-NE2 2.98Å; E300-Q386 CarbonylContact O-C 3.56Å; E300-Q386 VanDerWaalsContact O-CA 3.3Å; E300-Q386 WeakPolarHBondContact O-CA 3.46Å; G358-Q386 PolarHBondContact O-NE2 3.33Å; Q361-Q386 HydrophobicContact CB-CG 3.9Å; Q361-Q386 VanDerWaalsContact OE1-NE2 3.17Å; L365-Q386 HydrophobicContact CD1-CB 3.66Å; Q386-V397 VanDerWaalsContact O-CA 3.28Å; Q386-V397 WeakPolarHBondContact O-CA 3.49Å; Q386-T398 PolarHBondContact N-O 3.39Å; Q386-T398 PolarHBondContact O-N 3.38Å; Q386-Y400 HydrophobicContact CB-CE2 3.74Å; Q386-Y400 PolarHBondContact OE1-OH 2.84Å
387H98.9Very high97Very high0 Ų019.7 Ų19.70%014%0.14CC..EExtended strand (participates in β ladder)trans-131.3122.4169169.5-102000110.3S278 E300 L301 H302 T312 L316 Q361 L385 V395S278-H387 WeakPolarHBondContact CB-NE2 3.49Å; S278-H387 PolarHBondContact OG-NE2 3.43Å; E300-H387 PolarHBondContact O-N 2.91Å; L301-H387 CarbonylContact C-O 3.47Å; L301-H387 WeakPolarHBondContact CA-O 3.42Å; L301-H387 HydrophobicContact CB-CB 3.91Å; H302-H387 PolarHBondContact N-O 2.88Å; H302-H387 VanDerWaalsContact N-O 3.11Å; T312-H387 WeakPolarHBondContact CG2-ND1 3.39Å; L316-H387 HydrophobicContact CD1-CB 4.2Å; L316-H387 HydrophobicContact CD2-CB 4.32Å; Q361-H387 PolarHBondContact NE2-O 2.76Å; L385-H387 HydrophobicContact CD2-CB 4.36Å; H387-V395 VanDerWaalsContact CD2-CG2 3.43Å; H387-V395 WeakPolarHBondContact CD2-CG2 3.24Å; H387-V395 VanDerWaalsContact NE2-CG2 3.34Å; H387-V395 WeakPolarHBondContact NE2-CG2 3.49Å
388N98.9Very high97Very high0 Ų017.3 Ų17.30%013%0.129CC..EExtended strand (participates in β ladder)trans-136.1119.4178.2-171.3-167.1000110.4C91 S92 S95 H302 G358 V395 V396C91-N388 PolarHBondContact O-ND2 2.96Å; S92-N388 WeakPolarHBondContact CA-OD1 3.45Å; S95-N388 VanDerWaalsContact CB-OD1 3.32Å; S95-N388 WeakPolarHBondContact CB-OD1 3.49Å; S95-N388 WeakPolarHBondContact OG-CB 3.49Å; S95-N388 VanDerWaalsContact OG-CG 3.27Å; S95-N388 PolarHBondContact OG-OD1 2.89Å; H302-N388 PolarHBondContact CE1-ND2 3.2Å; H302-N388 VanDerWaalsContact CE1-ND2 3.3Å; H302-N388 PolarHBondContact ND1-ND2 2.83Å; G358-N388 WeakPolarHBondContact CA-OD1 3.45Å; N388-V395 CarbonylContact O-C 3.05Å; N388-V395 WeakPolarHBondContact O-CA 3.46Å; N388-V396 PolarHBondContact N-O 3.39Å; N388-V396 PolarHBondContact O-N 2.78Å
389I98.8Very high97.1Very high3 Ų316.9 Ų16.92%0.01513%0.127CC..EExtended strand (participates in β ladder)trans-118147.4179-168.9163000111.3C91 V273 M277 H302 V395C91-I389 CarbonylContact C-O 3.6Å; C91-I389 VanDerWaalsContact CB-O 3.24Å; C91-I389 WeakPolarHBondContact CB-O 3.35Å; V273-I389 WeakPolarHBondContact O-CD1 3.27Å; M277-I389 HydrophobicContact CE-CD1 4.45Å; H302-I389 HydrophobicContact CB-CG2 3.9Å; H302-I389 PolarHBondContact CE1-O 3.4Å; H302-I389 PolarHBondContact NE2-O 3.01Å; H302-I389 VanDerWaalsContact NE2-O 3.14Å; I389-V395 HydrophobicContact CB-CB 4.17Å; I389-V395 HydrophobicContact CB-CG2 4.03Å; I389-V395 HydrophobicContact CD1-CB 4.1Å; I389-V395 HydrophobicContact CD1-CG2 4.47Å; I389-V395 HydrophobicContact CG1-CB 4Å; I389-V395 HydrophobicContact CG1-CG2 4.38Å
390G98.4Very high97.6Very high1 Ų111.4 Ų11.41%0.019%0.091CC..EExtended strand (participates in β ladder)trans-134.3131.3166.100000108.8S92 G393 A394S92-G390 PolarHBondContact OG-N 3.23Å; G390-G393 CarbonylContact O-C 3.57Å; G390-G393 WeakPolarHBondContact O-CA 3.36Å; G390-A394 PolarHBondContact N-O 2.77Å; G390-A394 PolarHBondContact O-N 3.47Å
391L97.6Very high98.2Very high22 Ų2210.9 Ų10.912%0.1157%0.067CC..THydrogen-bonded Turntrans-69.4156179.4-56.9-173.7000111N90 M137 M159 F160 V273N90-L391 PolarHBondContact ND2-O 2.75Å; M137-L391 HydrophobicContact SD-CB 3.82Å; M159-L391 HydrophobicContact CE-CD1 3.42Å; M159-L391 VanDerWaalsContact CE-CD1 3.42Å; M159-L391 HydrophobicContact SD-CD1 3.96Å; F160-L391 HydrophobicContact CE2-CD1 3.99Å; F160-L391 HydrophobicContact CZ-CD1 3.85Å; F160-L391 HydrophobicContact CZ-CD2 4.27Å; F160-L391 HydrophobicContact CZ-CG 4.13Å; V273-L391 HydrophobicContact CB-CD2 4.33Å
392G96.5Very high98.4Very high37 Ų3711.1 Ų11.138%0.3817%0.066SC..THydrogen-bonded Turntrans120.4-39.8-169.100000115M137 H140M137-G392 VanDerWaalsContact CE-N 3.31Å; H140-G392 PolarHBondContact CE1-O 3Å
393G96.5Very high98.5Very high6 Ų67.8 Ų7.86%0.0625%0.05CC..THydrogen-bonded Turncis-162.9174.8-21.300000112.5T258 D259 M277 G390T258-G393 WeakPolarHBondContact CA-O 3.36Å; D259-G393 PolarHBondContact OD2-N 3.2Å; M277-G393 WeakPolarHBondContact CE-O 3.3Å; G390-G393 CarbonylContact O-C 3.57Å; G390-G393 WeakPolarHBondContact O-CA 3.36Å
394A98.8Very high98.3Very high0 Ų08 Ų80%05%0.051CC..EExtended strand (participates in β ladder)trans-138.7141.1174.300000111.6N89 S92 M256 V257 T258 G390N89-A394 WeakPolarHBondContact ND2-CB 3.12Å; S92-A394 WeakPolarHBondContact CB-O 3.31Å; S92-A394 PolarHBondContact OG-O 2.97Å; M256-A394 HydrophobicContact CG-CB 4.06Å; M256-A394 HydrophobicContact SD-CB 4.25Å; V257-A394 WeakPolarHBondContact O-CA 3.47Å; T258-A394 HydrophobicContact CG2-CB 4.21Å; G390-A394 PolarHBondContact N-O 2.77Å; G390-A394 PolarHBondContact O-N 3.47Å
395V98.9Very high97.4Very high0 Ų010.8 Ų10.80%07%0.069CC..EExtended strand (participates in β ladder)trans-101.3144.1162.869.30000109.6M256 V257 M277 A281 H387 N388 I389 V397M256-V395 VanDerWaalsContact CA-O 3.25Å; M256-V395 WeakPolarHBondContact CA-O 3.44Å; V257-V395 HydrophobicContact CB-CG1 3.97Å; V257-V395 PolarHBondContact N-O 2.94Å; V257-V395 PolarHBondContact O-N 2.97Å; M277-V395 HydrophobicContact CB-CB 4.41Å; M277-V395 HydrophobicContact CB-CG1 3.67Å; M277-V395 HydrophobicContact CE-CB 4.46Å; M277-V395 HydrophobicContact CE-CG1 4.47Å; M277-V395 WeakPolarHBondContact O-CG1 3.39Å; A281-V395 HydrophobicContact CB-CG1 3.83Å; H387-V395 VanDerWaalsContact CD2-CG2 3.43Å; H387-V395 WeakPolarHBondContact CD2-CG2 3.24Å; H387-V395 VanDerWaalsContact NE2-CG2 3.34Å; H387-V395 WeakPolarHBondContact NE2-CG2 3.49Å; N388-V395 CarbonylContact O-C 3.05Å; N388-V395 WeakPolarHBondContact O-CA 3.46Å; I389-V395 HydrophobicContact CB-CB 4.17Å; I389-V395 HydrophobicContact CB-CG2 4.03Å; I389-V395 HydrophobicContact CD1-CB 4.1Å; I389-V395 HydrophobicContact CD1-CG2 4.47Å; I389-V395 HydrophobicContact CG1-CB 4Å; I389-V395 HydrophobicContact CG1-CG2 4.38Å; V395-V397 HydrophobicContact CG2-CG2 4.3Å
396V98.9Very high96.2Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-122.1124.1166.8-175.20000108.5F99 Q254 E255 M256 N388F99-V396 HydrophobicContact CD2-CG1 4.4Å; Q254-V396 HydrophobicContact CG-CG1 4.02Å; E255-V396 WeakPolarHBondContact O-CA 3.36Å; M256-V396 HydrophobicContact CB-CG2 4.22Å; M256-V396 HydrophobicContact CE-CG2 3.57Å; M256-V396 HydrophobicContact CG-CG2 4.05Å; N388-V396 PolarHBondContact N-O 3.39Å; N388-V396 PolarHBondContact O-N 2.78Å
397V98.9Very high94.8Very high0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-110.9134.3170.61770000108.6Q254 E255 A281 C285 L316 L385 Q386 V395Q254-V397 VanDerWaalsContact CA-O 3.29Å; Q254-V397 WeakPolarHBondContact CA-O 3.42Å; E255-V397 PolarHBondContact N-O 3.06Å; E255-V397 PolarHBondContact O-N 2.79Å; A281-V397 HydrophobicContact CB-CB 4.02Å; A281-V397 HydrophobicContact CB-CG2 3.64Å; C285-V397 HydrophobicContact CB-CG1 4.16Å; C285-V397 PolarHBondContact SG-O 3.21Å; L316-V397 HydrophobicContact CD2-CG2 4.39Å; L385-V397 HydrophobicContact CD2-CG1 4.46Å; L385-V397 HydrophobicContact CG-CG1 4.35Å; Q386-V397 VanDerWaalsContact O-CA 3.28Å; Q386-V397 WeakPolarHBondContact O-CA 3.49Å; V395-V397 HydrophobicContact CG2-CG2 4.3Å
398T99Very high92.8Very high0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-133.3134.7179.4-45.70000110.2I251 A253 Q254 L385 Q386 Y400I251-T398 HydrophobicContact CB-CG2 4.46Å; I251-T398 HydrophobicContact CG1-CG2 4.24Å; I251-T398 HydrophobicContact CG2-CG2 3.58Å; A253-T398 CarbonylContact O-C 3.55Å; A253-T398 WeakPolarHBondContact O-CA 3.3Å; Q254-T398 HydrophobicContact CB-CG2 3.98Å; Q254-T398 HydrophobicContact CG-CG2 4.02Å; Q254-T398 WeakPolarHBondContact CG-OG1 3.36Å; Q254-T398 PolarHBondContact NE2-OG1 3.12Å; L385-T398 WeakPolarHBondContact CA-O 3.24Å; Q386-T398 PolarHBondContact N-O 3.39Å; Q386-T398 PolarHBondContact O-N 3.38Å; T398-Y400 WeakPolarHBondContact CB-OH 3.39Å; T398-Y400 HydrophobicContact CG2-CD1 4.32Å; T398-Y400 HydrophobicContact CG2-CD2 4.16Å; T398-Y400 HydrophobicContact CG2-CE1 3.69Å; T398-Y400 HydrophobicContact CG2-CE2 3.47Å; T398-Y400 VanDerWaalsContact CG2-CE2 3.47Å; T398-Y400 VanDerWaalsContact CG2-OH 3.25Å; T398-Y400 WeakPolarHBondContact CG2-OH 3.43Å
399I98.9Very high90.6Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-110.4135.4172.4-57.9178.3000108.8V252 A253 C285 F286 A289 L291 V383 A384 L385V252-I399 HydrophobicContact CG2-CB 3.84Å; V252-I399 HydrophobicContact CG2-CG2 3.54Å; V252-I399 WeakPolarHBondContact CG2-O 3.31Å; V252-I399 PolarHBondContact N-O 2.85Å; A253-I399 PolarHBondContact O-N 2.91Å; C285-I399 HydrophobicContact CB-CD1 3.79Å; C285-I399 HydrophobicContact CB-CG1 4.07Å; F286-I399 HydrophobicContact CD1-CD1 3.72Å; F286-I399 HydrophobicContact CE1-CD1 3.88Å; F286-I399 HydrophobicContact CG-CD1 4.35Å; A289-I399 HydrophobicContact CB-CD1 4.26Å; L291-I399 HydrophobicContact CD1-CG2 4.04Å; V383-I399 HydrophobicContact CG1-CG2 3.88Å; A384-I399 CarbonylContact O-C 3.54Å; A384-I399 WeakPolarHBondContact O-CA 3.31Å; L385-I399 HydrophobicContact CD1-CG1 4.44Å
400Y98.9Very high87.7Confident0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-124.4148.4-176.6-53.1-97.4000112.1V13 L98 V249 E250 I251 L365 A384 Q386 T398V13-Y400 HydrophobicContact CG2-CE1 4.38Å; L98-Y400 VanDerWaalsContact CD2-OH 3.27Å; L98-Y400 WeakPolarHBondContact CD2-OH 3.4Å; V249-Y400 HydrophobicContact CG1-CD1 4.02Å; V249-Y400 HydrophobicContact CG1-CG 4.33Å; E250-Y400 VanDerWaalsContact O-CA 3.27Å; E250-Y400 WeakPolarHBondContact O-CA 3.41Å; I251-Y400 HydrophobicContact CD1-CE1 4.26Å; I251-Y400 HydrophobicContact CG1-CD1 3.86Å; I251-Y400 HydrophobicContact CG1-CE1 3.64Å; L365-Y400 HydrophobicContact CB-CD2 4.49Å; L365-Y400 HydrophobicContact CD1-CD2 3.91Å; L365-Y400 HydrophobicContact CD1-CE2 3.87Å; A384-Y400 PolarHBondContact N-O 2.93Å; A384-Y400 PolarHBondContact O-N 3.21Å; Q386-Y400 HydrophobicContact CB-CE2 3.74Å; Q386-Y400 PolarHBondContact OE1-OH 2.84Å; T398-Y400 WeakPolarHBondContact CB-OH 3.39Å; T398-Y400 HydrophobicContact CG2-CD1 4.32Å; T398-Y400 HydrophobicContact CG2-CD2 4.16Å; T398-Y400 HydrophobicContact CG2-CE1 3.69Å; T398-Y400 HydrophobicContact CG2-CE2 3.47Å; T398-Y400 VanDerWaalsContact CG2-CE2 3.47Å; T398-Y400 VanDerWaalsContact CG2-OH 3.25Å; T398-Y400 WeakPolarHBondContact CG2-OH 3.43Å
401K98.8Very high84.9Confident64 Ų6442 Ų4228%0.27820%0.203SC..EExtended strand (participates in β ladder)trans-144.4161.1168.8-60.7-175.167.3171.80109.7V249 E250 V252 V383 G403V249-K401 CarbonylContact C-O 3.4Å; E250-K401 PolarHBondContact N-O 2.9Å; E250-K401 PolarHBondContact O-N 2.79Å; E250-K401 VanDerWaalsContact O-N 3.08Å; V252-K401 HydrophobicContact CG1-CB 4.16Å; V252-K401 HydrophobicContact CG1-CD 4.21Å; V252-K401 HydrophobicContact CG1-CG 4.12Å; V252-K401 HydrophobicContact CG2-CG 4.32Å; V383-K401 HydrophobicContact CG2-CD 4.23Å; V383-K401 HydrophobicContact CG2-CG 4.3Å; K401-G403 PolarHBondContact O-N 3.05Å
402M98.4Very high82.2Confident20 Ų2045.1 Ų45.110%0.09922%0.219CC..EExtended strand (participates in β ladder)trans-62.6128.1165.4-70.3-55.7-65.200109.8N246 V249 L369 R370 F404 P405 S408N246-M402 WeakPolarHBondContact O-CE 2.95Å; V249-M402 HydrophobicContact CG2-SD 3.74Å; L369-M402 HydrophobicContact CB-CG 4.33Å; L369-M402 HydrophobicContact CB-SD 4.09Å; L369-M402 WeakPolarHBondContact O-CG 3.17Å; R370-M402 HydrophobicContact CG-CE 4.14Å; R370-M402 HydrophobicContact CG-SD 3.89Å; M402-F404 VanDerWaalsContact C-N 3.33Å; M402-F404 PolarHBondContact O-N 3.36Å; M402-P405 HydrophobicContact CB-CB 4.46Å; M402-S408 WeakPolarHBondContact CE-OG 3.11Å
403G97Very high79.2Confident7 Ų745.7 Ų45.77%0.07222%0.22CC..SBendtrans-73.2-25.4-175.300000114.2R10 A248 K401R10-G403 PolarHBondContact NH2-O 2.91Å; A248-G403 PolarHBondContact O-N 3.27Å; K401-G403 PolarHBondContact O-N 3.05Å
404F95.4Very high76Confident7 Ų747.8 Ų47.83%0.03123%0.234CC..SBendtrans-138.270.9-177.7-53.1-81.4000109.6F12 E236 V239 R240 E245 A248 M402 Q406 E407 S408F12-F404 AromaticContact CD1-CE2 3.99Å; F12-F404 HydrophobicContact CD1-CE2 3.99Å; F12-F404 HydrophobicContact CE1-CD2 4.42Å; F12-F404 AromaticContact CE1-CE2 3.57Å; F12-F404 HydrophobicContact CE1-CE2 3.57Å; F12-F404 AromaticContact CE1-CZ 3.87Å; F12-F404 HydrophobicContact CE1-CZ 3.87Å; F12-F404 HydrophobicContact CE2-CZ 4.4Å; F12-F404 AromaticContact CZ-CE2 3.86Å; F12-F404 HydrophobicContact CZ-CE2 3.86Å; F12-F404 AromaticContact CZ-CZ 3.72Å; F12-F404 HydrophobicContact CZ-CZ 3.72Å; E236-F404 HydrophobicContact CG-CZ 4.14Å; V239-F404 HydrophobicContact CB-CE2 4.49Å; V239-F404 HydrophobicContact CG1-CD2 4.33Å; V239-F404 HydrophobicContact CG1-CE2 3.65Å; V239-F404 HydrophobicContact CG1-CZ 4.23Å; R240-F404 VanDerWaalsContact CZ-CE1 3.45Å; R240-F404 VanDerWaalsContact NH2-CD1 3.31Å; E245-F404 HydrophobicContact CB-CB 3.83Å; E245-F404 HydrophobicContact CB-CD2 3.78Å; E245-F404 HydrophobicContact CB-CG 3.77Å; E245-F404 HydrophobicContact CG-CB 4.36Å; E245-F404 HydrophobicContact CG-CD1 4.14Å; E245-F404 HydrophobicContact CG-CD2 3.9Å; E245-F404 HydrophobicContact CG-CE1 4.47Å; E245-F404 HydrophobicContact CG-CE2 4.24Å; E245-F404 HydrophobicContact CG-CG 3.84Å; A248-F404 HydrophobicContact CB-CD2 3.98Å; A248-F404 HydrophobicContact CB-CE2 3.97Å; M402-F404 VanDerWaalsContact C-N 3.33Å; M402-F404 PolarHBondContact O-N 3.36Å; F404-Q406 VanDerWaalsContact C-N 3.3Å; F404-Q406 PolarHBondContact O-N 2.92Å; F404-E407 HydrophobicContact CB-CB 4.23Å; F404-E407 HydrophobicContact CB-CG 4.47Å; F404-E407 WeakPolarHBondContact CB-OE2 3.31Å; F404-E407 PolarHBondContact O-N 3.47Å; F404-S408 WeakPolarHBondContact O-CB 3.13Å; F404-S408 PolarHBondContact O-N 3.47Å; F404-S408 PolarHBondContact O-OG 3.26Å
405P80.4Confident72.8Confident60 Ų6050.4 Ų50.439%0.3926%0.256SS..Hα-helixtrans-68.3-25-168.125.4-33.9000113.7M402 R409M402-P405 HydrophobicContact CB-CB 4.46Å; P405-R409 WeakPolarHBondContact O-CB 3.45Å; P405-R409 VanDerWaalsContact O-CG 3.26Å; P405-R409 WeakPolarHBondContact O-CG 3.31Å; P405-R409 PolarHBondContact O-N 3.33Å; P405-R409 VanDerWaalsContact O-N 3.07Å
406Q74Confident69.7Low161 Ų16153.3 Ų53.375%0.75228%0.28SS*.Hα-helixtrans-70.7-44.2177.1-65.2-177.5-1.500110.7F404 S408 R409 Y410F404-Q406 VanDerWaalsContact C-N 3.3Å; F404-Q406 PolarHBondContact O-N 2.92Å; Q406-S408 VanDerWaalsContact C-N 3.35Å; Q406-R409 PolarHBondContact O-N 3.32Å; Q406-Y410 PolarHBondContact O-N 2.74Å
407E68Low66.5Low71 Ų7154.8 Ų54.833%0.33229%0.29SS..Hα-helixtrans-70.2-33.4177.5-6190.1150.200111.6R240 E245 F404 Y410 V411R240-E407 IonicContact NH1-OE1 3.9Å; E245-E407 HydrophobicContact CB-CB 4.2Å; F404-E407 HydrophobicContact CB-CB 4.23Å; F404-E407 HydrophobicContact CB-CG 4.47Å; F404-E407 WeakPolarHBondContact CB-OE2 3.31Å; F404-E407 PolarHBondContact O-N 3.47Å; E407-Y410 PolarHBondContact O-N 3.03Å; E407-V411 PolarHBondContact O-N 3Å
408S58.5Low63.1Low4 Ų459.5 Ų59.53%0.02832%0.323CS..Hα-helixtrans-70.4-39176.3-55.10000112.4M402 F404 Q406 Y410 V411 I412M402-S408 WeakPolarHBondContact CE-OG 3.11Å; F404-S408 WeakPolarHBondContact O-CB 3.13Å; F404-S408 PolarHBondContact O-N 3.47Å; F404-S408 PolarHBondContact O-OG 3.26Å; Q406-S408 VanDerWaalsContact C-N 3.35Å; S408-Y410 VanDerWaalsContact C-N 3.29Å; S408-Y410 PolarHBondContact O-N 3.49Å; S408-V411 PolarHBondContact O-N 2.99Å; S408-V411 VanDerWaalsContact O-N 3.17Å; S408-I412 WeakPolarHBondContact O-CG1 3.35Å; S408-I412 PolarHBondContact O-N 3.38Å
409R52.8Low59.9Low191 Ų19162.9 Ų62.972%0.72135%0.347SS*.Hα-helixtrans-63.1-35.8175.4-78.1175.1-174.6-173.81.9112.3P405 Q406 V411 A413P405-R409 WeakPolarHBondContact O-CB 3.45Å; P405-R409 VanDerWaalsContact O-CG 3.26Å; P405-R409 WeakPolarHBondContact O-CG 3.31Å; P405-R409 PolarHBondContact O-N 3.33Å; P405-R409 VanDerWaalsContact O-N 3.07Å; Q406-R409 PolarHBondContact O-N 3.32Å; R409-V411 VanDerWaalsContact C-N 3.26Å; R409-V411 PolarHBondContact O-N 3.36Å; R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.17Å; R409-A413 PolarHBondContact O-N 2.68Å
410Y36.9Very low56.9Low185 Ų18566.3 Ų66.373%0.72538%0.382SS*.Hα-helixtrans-62.1-37175.5-159.2-88.9000111.5Q406 E407 S408 S414Q406-Y410 PolarHBondContact O-N 2.74Å; E407-Y410 PolarHBondContact O-N 3.03Å; S408-Y410 VanDerWaalsContact C-N 3.29Å; S408-Y410 PolarHBondContact O-N 3.49Å; Y410-S414 VanDerWaalsContact O-CB 3.22Å; Y410-S414 WeakPolarHBondContact O-CB 3.46Å; Y410-S414 PolarHBondContact O-N 3.28Å; Y410-S414 PolarHBondContact O-OG 3.49Å
411V40.1Very low53.9Low47 Ų4767.3 Ų67.329%0.28539%0.392SS..Hα-helixtrans-83.6-33.8179.4179.50000113.2N246 E407 S408 R409 A413 S414 A415N246-V411 HydrophobicContact CB-CB 3.98Å; N246-V411 HydrophobicContact CB-CG1 4.36Å; N246-V411 HydrophobicContact CB-CG2 3.6Å; E407-V411 PolarHBondContact O-N 3Å; S408-V411 PolarHBondContact O-N 2.99Å; S408-V411 VanDerWaalsContact O-N 3.17Å; R409-V411 VanDerWaalsContact C-N 3.26Å; R409-V411 PolarHBondContact O-N 3.36Å; V411-A413 VanDerWaalsContact C-N 3.31Å; V411-S414 WeakPolarHBondContact CA-OG 3.16Å; V411-S414 CarbonylContact O-C 3.52Å; V411-S414 PolarHBondContact O-N 2.77Å; V411-S414 PolarHBondContact O-OG 2.61Å; V411-A415 WeakPolarHBondContact O-CA 3.24Å; V411-A415 WeakPolarHBondContact O-CB 3.28Å; V411-A415 PolarHBondContact O-N 2.87Å
412I39.7Very low51.1Low88 Ų8867.7 Ų67.745%0.45142%0.415SS..Hα-helixtrans-65.8-39.3172.3-67170.1000109.9S408 A416S408-I412 WeakPolarHBondContact O-CG1 3.35Å; S408-I412 PolarHBondContact O-N 3.38Å; I412-A416 VanDerWaalsContact O-CB 3.25Å; I412-A416 WeakPolarHBondContact O-CB 3.39Å; I412-A416 PolarHBondContact O-N 3.23Å
413A34.5Very low49.1Very low48 Ų4872 Ų7240%0.39744%0.438SS..Hα-helixtrans-61.5-46.9167.500000111.1R409 V411 A415 S417R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.17Å; R409-A413 PolarHBondContact O-N 2.68Å; V411-A413 VanDerWaalsContact C-N 3.31Å; A413-A415 PolarHBondContact O-N 3.4Å; A413-S417 WeakPolarHBondContact O-CB 3.34Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 VanDerWaalsContact O-N 3.14Å
414S29.5Very low47.7Very low50 Ų5072.5 Ų72.535%0.3544%0.439SS..Hα-helixtrans-78.2-9.6-178.387.20000116.3Y410 V411 S417Y410-S414 VanDerWaalsContact O-CB 3.22Å; Y410-S414 WeakPolarHBondContact O-CB 3.46Å; Y410-S414 PolarHBondContact O-N 3.28Å; Y410-S414 PolarHBondContact O-OG 3.49Å; V411-S414 WeakPolarHBondContact CA-OG 3.16Å; V411-S414 CarbonylContact O-C 3.52Å; V411-S414 PolarHBondContact O-N 2.77Å; V411-S414 PolarHBondContact O-OG 2.61Å; S414-S417 WeakPolarHBondContact CA-OG 3.34Å; S414-S417 PolarHBondContact O-OG 2.97Å
415A31.8Very low46.3Very low56 Ų5676.1 Ų76.146%0.46346%0.456SS..Hα-helixtrans-101.8-29.5177.100000110.4V411 A413 S417 S418V411-A415 WeakPolarHBondContact O-CA 3.24Å; V411-A415 WeakPolarHBondContact O-CB 3.28Å; V411-A415 PolarHBondContact O-N 2.87Å; A413-A415 PolarHBondContact O-N 3.4Å; A415-S417 PolarHBondContact O-N 3.43Å; A415-S418 PolarHBondContact O-N 2.91Å; A415-S418 PolarHBondContact O-OG 2.75Å
416A32.7Very low46Very low61 Ų6175.5 Ų75.550%0.50446%0.46SS..Hα-helixtrans-61-21.7156.300000111.8I412I412-A416 VanDerWaalsContact O-CB 3.25Å; I412-A416 WeakPolarHBondContact O-CB 3.39Å; I412-A416 PolarHBondContact O-N 3.23Å
417S31.6Very low46.6Very low31 Ų3168 Ų6822%0.21743%0.425CS..THydrogen-bonded Turntrans-88.1-5.1176.7910000115.4A413 S414 A415 S419 E425A413-S417 WeakPolarHBondContact O-CB 3.34Å; A413-S417 PolarHBondContact O-N 3.15Å; A413-S417 VanDerWaalsContact O-N 3.14Å; S414-S417 WeakPolarHBondContact CA-OG 3.34Å; S414-S417 PolarHBondContact O-OG 2.97Å; A415-S417 PolarHBondContact O-N 3.43Å; S417-S419 PolarHBondContact O-N 3.27Å; S417-S419 VanDerWaalsContact O-N 3.1Å; S417-E425 WeakPolarHBondContact CA-OE1 3.44Å; S417-E425 WeakPolarHBondContact CB-OE1 3.34Å
418S28.3Very low47.6Very low99 Ų9969.3 Ų69.369%0.69243%0.43SS*.  trans-88.239.9-178.975.10000114.4A415A415-S418 PolarHBondContact O-N 2.91Å; A415-S418 PolarHBondContact O-OG 2.75Å
419S31.4Very low48.9Very low71 Ų7169.1 Ų69.150%0.49743%0.428SS..SBendtrans-131.183.7155.364.70000107.4S417S417-S419 PolarHBondContact O-N 3.27Å; S417-S419 VanDerWaalsContact O-N 3.1Å
420G36Very low50.5Low72 Ų7261.7 Ų61.774%0.74240%0.401SS*.SBendtrans35.783.1168.400000117.3
421G35.9Very low52.7Low21 Ų2156.5 Ų56.522%0.21639%0.39CS..  trans169.647.3170.600000115.4D423G421-D423 PolarHBondContact O-N 3.21Å
422G39.9Very low54.9Low72 Ų7254.7 Ų54.774%0.74238%0.379SS*.THydrogen-bonded Turntrans-66.48.6-174.900000116.9
423D56.2Low57.3Low109 Ų10950.7 Ų50.758%0.58336%0.358SS*.THydrogen-bonded Turntrans-118.31-173.7-145.46.2000114G421 R466G421-D423 PolarHBondContact O-N 3.21Å; D423-R466 PolarHBondContact O-NH1 3.45Å; D423-R466 IonicContact OD1-CZ 3.49Å; D423-R466 IonicContact OD1-NH1 2.8Å; D423-R466 PolarHBondContact OD1-NH1 3.04Å
424L69.3Low59.7Low19 Ų1951 Ų5110%0.09935%0.35CS..  trans-118.6-8-164.1-60.6-179.2000115.4G426 F427 Y430 A468 W470 N483L424-G426 PolarHBondContact O-N 3.07Å; L424-G426 VanDerWaalsContact O-N 3.13Å; L424-F427 HydrophobicContact CD2-CD2 4.27Å; L424-F427 HydrophobicContact CD2-CE2 4.06Å; L424-F427 PolarHBondContact O-N 3.34Å; L424-F427 VanDerWaalsContact O-N 3.12Å; L424-Y430 HydrophobicContact CB-CD2 3.94Å; L424-Y430 HydrophobicContact CB-CE2 4.34Å; L424-Y430 WeakPolarHBondContact O-CB 3.37Å; L424-Y430 WeakPolarHBondContact O-CD2 3.35Å; L424-A468 HydrophobicContact CD2-CB 3.24Å; L424-W470 HydrophobicContact CB-CH2 4.41Å; L424-W470 HydrophobicContact CB-CZ2 3.85Å; L424-W470 HydrophobicContact CD1-CZ2 3.97Å; L424-W470 HydrophobicContact CD2-CH2 4.22Å; L424-W470 HydrophobicContact CD2-CZ2 4.34Å; L424-W470 HydrophobicContact CG-CZ2 4.29Å; L424-N483 HydrophobicContact CD1-CB 3.83Å; L424-N483 WeakPolarHBondContact CD1-ND2 3.32Å
425E64.1Low62.3Low82 Ų8252.9 Ų52.938%0.38335%0.354SS..THydrogen-bonded Turntrans-65-15.7-175.3-74.7-178.1173.300114.9S417 Y430S417-E425 WeakPolarHBondContact CA-OE1 3.44Å; S417-E425 WeakPolarHBondContact CB-OE1 3.34Å; E425-Y430 HydrophobicContact CG-CD1 4.34Å; E425-Y430 HydrophobicContact CG-CD2 4.45Å; E425-Y430 HydrophobicContact CG-CE1 3.83Å; E425-Y430 HydrophobicContact CG-CE2 3.92Å
426G75.3Confident64.8Low47 Ų4750.5 Ų50.549%0.48533%0.333SS..THydrogen-bonded Turntrans-81.1-18.7175.200000114.3L424 P463L424-G426 PolarHBondContact O-N 3.07Å; L424-G426 VanDerWaalsContact O-N 3.13Å; G426-P463 WeakPolarHBondContact O-CG 3.22Å
427F86.8Confident67.4Low5 Ų550 Ų502%0.02232%0.321CS..SBendtrans-70.9134.5-177.9-77.8-106.3000110.7L424 A429 Y430 V459 G462 P463 R466 A468 W470 D497L424-F427 HydrophobicContact CD2-CD2 4.27Å; L424-F427 HydrophobicContact CD2-CE2 4.06Å; L424-F427 PolarHBondContact O-N 3.34Å; L424-F427 VanDerWaalsContact O-N 3.12Å; F427-A429 PolarHBondContact O-N 2.99Å; F427-Y430 WeakPolarHBondContact O-CB 3.32Å; F427-Y430 PolarHBondContact O-N 3.14Å; F427-V459 HydrophobicContact CD1-CB 4.47Å; F427-V459 HydrophobicContact CD1-CG1 3.98Å; F427-V459 HydrophobicContact CE1-CB 4.48Å; F427-V459 HydrophobicContact CE1-CG1 4.27Å; F427-G462 VanDerWaalsContact CE1-CA 3.44Å; F427-P463 HydrophobicContact CD2-CG 4.44Å; F427-R466 WeakPolarHBondContact CE1-O 3.4Å; F427-R466 HydrophobicContact CE2-CB 4.31Å; F427-R466 HydrophobicContact CZ-CB 3.95Å; F427-R466 WeakPolarHBondContact CZ-O 3.37Å; F427-A468 HydrophobicContact CD1-CB 4.38Å; F427-A468 HydrophobicContact CD2-CB 4.43Å; F427-A468 HydrophobicContact CE1-CB 3.77Å; F427-A468 HydrophobicContact CE2-CB 3.85Å; F427-A468 HydrophobicContact CZ-CB 3.48Å; F427-A468 VanDerWaalsContact CZ-CB 3.48Å; F427-W470 HydrophobicContact CB-CH2 3.79Å; F427-W470 HydrophobicContact CB-CZ2 4.39Å; F427-W470 AromaticContact CD1-CH2 3.94Å; F427-W470 HydrophobicContact CD1-CH2 3.94Å; F427-W470 HydrophobicContact CD1-CZ3 4.32Å; F427-W470 HydrophobicContact CD2-CH2 4.19Å; F427-W470 AromaticContact CG-CH2 3.73Å; F427-W470 HydrophobicContact CG-CH2 3.73Å; F427-D497 WeakPolarHBondContact CA-OD2 3.35Å; F427-D497 HydrophobicContact CD1-CB 4.28Å
428K87.6Confident69.6Low97 Ų9751.7 Ų51.742%0.42233%0.327SS..THydrogen-bonded Turntrans-58.8-26.3171.3-63.2-178-174.6-179.50111.9P431 D497 E498 L501K428-P431 WeakPolarHBondContact O-CD 3.42Å; K428-P431 WeakPolarHBondContact O-CG 3.17Å; K428-D497 WeakPolarHBondContact CB-OD2 3.28Å; K428-D497 VanDerWaalsContact N-CG 3.27Å; K428-D497 PolarHBondContact N-OD1 3.28Å; K428-D497 PolarHBondContact N-OD2 2.84Å; K428-E498 HydrophobicContact CD-CB 4.16Å; K428-E498 HydrophobicContact CD-CG 4.43Å; K428-E498 IonicContact NZ-OE2 2.76Å; K428-E498 PolarHBondContact NZ-OE2 3.24Å; K428-L501 HydrophobicContact CB-CD2 4.31Å
429A85.8Confident72.3Confident0 Ų050.2 Ų50.20%031%0.309CS..THydrogen-bonded Turntrans-74.9-21.6174.200000114.1F427 V432 F433 V459 D497 L500F427-A429 PolarHBondContact O-N 2.99Å; A429-V432 VanDerWaalsContact O-CB 3.25Å; A429-V432 WeakPolarHBondContact O-CB 3.17Å; A429-V432 PolarHBondContact O-N 3.09Å; A429-V432 VanDerWaalsContact O-N 3.07Å; A429-F433 HydrophobicContact CB-CD2 4.32Å; A429-F433 HydrophobicContact CB-CE2 4Å; A429-F433 WeakPolarHBondContact O-CD2 3.35Å; A429-F433 PolarHBondContact O-N 3.44Å; A429-V459 HydrophobicContact CB-CG1 4.2Å; A429-V459 HydrophobicContact CB-CG2 4.37Å; A429-D497 WeakPolarHBondContact CB-OD1 3.33Å; A429-D497 PolarHBondContact N-OD1 3.15Å; A429-L500 HydrophobicContact CB-CD2 3.49Å; A429-L500 VanDerWaalsContact CB-CD2 3.49Å; A429-L500 HydrophobicContact CB-CG 4.21Å
430Y87.4Confident74.7Confident36 Ų3647 Ų4714%0.14129%0.286CS..Hα-helixtrans-54.1-51.7-179.5-177.7-93.6000113.9L424 E425 F427 V432 F433 K434 W470L424-Y430 HydrophobicContact CB-CD2 3.94Å; L424-Y430 HydrophobicContact CB-CE2 4.34Å; L424-Y430 WeakPolarHBondContact O-CB 3.37Å; L424-Y430 WeakPolarHBondContact O-CD2 3.35Å; E425-Y430 HydrophobicContact CG-CD1 4.34Å; E425-Y430 HydrophobicContact CG-CD2 4.45Å; E425-Y430 HydrophobicContact CG-CE1 3.83Å; E425-Y430 HydrophobicContact CG-CE2 3.92Å; F427-Y430 WeakPolarHBondContact O-CB 3.32Å; F427-Y430 PolarHBondContact O-N 3.14Å; Y430-V432 PolarHBondContact O-N 2.64Å; Y430-F433 PolarHBondContact O-N 3.37Å; Y430-F433 VanDerWaalsContact O-N 3.15Å; Y430-K434 HydrophobicContact CD1-CG 4.34Å; Y430-K434 HydrophobicContact CE1-CG 3.81Å; Y430-K434 PolarHBondContact O-N 2.87Å; Y430-K434 VanDerWaalsContact O-N 3.09Å; Y430-K434 WeakPolarHBondContact OH-CE 3.42Å; Y430-W470 HydrophobicContact CD2-CZ2 4.34Å
431P82.9Confident76.8Confident76 Ų7649.7 Ų49.749%0.49428%0.283SS..Hα-helixtrans-62.1-27.5177.524.1-35.5000113.1K428 K434 E435K428-P431 WeakPolarHBondContact O-CD 3.42Å; K428-P431 WeakPolarHBondContact O-CG 3.17Å; P431-K434 PolarHBondContact O-N 3.29Å; P431-E435 PolarHBondContact O-N 2.61Å
432V86.4Confident78.8Confident9 Ų956.3 Ų56.36%0.05531%0.308CS..Hα-helixtrans-65.1-45.7175.8-179.40000110.7A429 Y430 E435 I436 L501 M504A429-V432 VanDerWaalsContact O-CB 3.25Å; A429-V432 WeakPolarHBondContact O-CB 3.17Å; A429-V432 PolarHBondContact O-N 3.09Å; A429-V432 VanDerWaalsContact O-N 3.07Å; Y430-V432 PolarHBondContact O-N 2.64Å; V432-E435 PolarHBondContact O-N 3.09Å; V432-I436 HydrophobicContact CG1-CD1 4.18Å; V432-I436 WeakPolarHBondContact O-CG1 3.34Å; V432-I436 PolarHBondContact O-N 3.13Å; V432-L501 HydrophobicContact CG2-CD1 3.51Å; V432-M504 HydrophobicContact CG1-CB 3.42Å; V432-M504 VanDerWaalsContact CG1-CB 3.42Å; V432-M504 HydrophobicContact CG1-CE 4.37Å; V432-M504 HydrophobicContact CG1-CG 3.67Å
433F89.9Confident81Confident4 Ų456.3 Ų56.32%0.01829%0.289CS..Hα-helixtrans-70.8-31.3179.4-71.6-66.2000113.1A429 Y430 E435 I436 E437 F457 V459 W470 V472 V481 L500A429-F433 HydrophobicContact CB-CD2 4.32Å; A429-F433 HydrophobicContact CB-CE2 4Å; A429-F433 WeakPolarHBondContact O-CD2 3.35Å; A429-F433 PolarHBondContact O-N 3.44Å; Y430-F433 PolarHBondContact O-N 3.37Å; Y430-F433 VanDerWaalsContact O-N 3.15Å; F433-E435 VanDerWaalsContact C-N 3.32Å; F433-I436 HydrophobicContact CD1-CD1 3.98Å; F433-I436 HydrophobicContact CE1-CD1 4.29Å; F433-I436 PolarHBondContact O-N 3.37Å; F433-E437 WeakPolarHBondContact O-CB 3.31Å; F433-E437 PolarHBondContact O-N 3.23Å; F433-F457 HydrophobicContact CE1-CB 4.16Å; F433-F457 HydrophobicContact CE1-CD1 4.32Å; F433-F457 AromaticContact CE1-CD2 3.53Å; F433-F457 HydrophobicContact CE1-CD2 3.53Å; F433-F457 AromaticContact CE1-CE2 3.9Å; F433-F457 HydrophobicContact CE1-CE2 3.9Å; F433-F457 AromaticContact CE1-CG 3.76Å; F433-F457 HydrophobicContact CE1-CG 3.76Å; F433-F457 HydrophobicContact CE1-CZ 4.42Å; F433-F457 HydrophobicContact CE2-CB 4.49Å; F433-F457 HydrophobicContact CZ-CB 3.54Å; F433-F457 HydrophobicContact CZ-CD1 4.01Å; F433-F457 AromaticContact CZ-CD2 3.82Å; F433-F457 HydrophobicContact CZ-CD2 3.82Å; F433-F457 HydrophobicContact CZ-CE2 4.49Å; F433-F457 AromaticContact CZ-CG 3.54Å; F433-F457 HydrophobicContact CZ-CG 3.54Å; F433-V459 HydrophobicContact CE2-CG2 4.31Å; F433-W470 HydrophobicContact CB-CG 4.24Å; F433-W470 HydrophobicContact CD1-CB 3.81Å; F433-W470 AromaticContact CD1-CD1 3.99Å; F433-W470 AromaticContact CD1-CG 3.92Å; F433-W470 HydrophobicContact CD1-CG 3.92Å; F433-W470 HydrophobicContact CD2-CB 3.98Å; F433-W470 AromaticContact CD2-CD1 3.44Å; F433-W470 VanDerWaalsContact CD2-CD1 3.44Å; F433-W470 AromaticContact CD2-CD2 3.33Å; F433-W470 HydrophobicContact CD2-CD2 3.33Å; F433-W470 AromaticContact CD2-CE2 3.47Å; F433-W470 VanDerWaalsContact CD2-CE2 3.47Å; F433-W470 AromaticContact CD2-CE3 3.98Å; F433-W470 HydrophobicContact CD2-CE3 3.98Å; F433-W470 AromaticContact CD2-CG 3.32Å; F433-W470 HydrophobicContact CD2-CG 3.32Å; F433-W470 HydrophobicContact CD2-CZ2 4.18Å; F433-W470 AromaticContact CD2-NE1 3.54Å; F433-W470 HydrophobicContact CE1-CB 3.67Å; F433-W470 HydrophobicContact CE1-CG 4.11Å; F433-W470 HydrophobicContact CE2-CB 3.8Å; F433-W470 AromaticContact CE2-CD2 3.37Å; F433-W470 HydrophobicContact CE2-CD2 3.37Å; F433-W470 AromaticContact CE2-CE2 3.96Å; F433-W470 AromaticContact CE2-CE3 3.56Å; F433-W470 HydrophobicContact CE2-CE3 3.56Å; F433-W470 AromaticContact CE2-CG 3.5Å; F433-W470 HydrophobicContact CE2-CG 3.5Å; F433-W470 HydrophobicContact CE2-CZ3 4.27Å; F433-W470 HydrophobicContact CG-CB 3.98Å; F433-W470 AromaticContact CG-CD1 3.37Å; F433-W470 HydrophobicContact CG-CD2 4.07Å; F433-W470 AromaticContact CG-CG 3.55Å; F433-W470 HydrophobicContact CG-CG 3.55Å; F433-W470 AromaticContact CG-NE1 3.79Å; F433-W470 HydrophobicContact CZ-CB 3.67Å; F433-W470 HydrophobicContact CZ-CD2 4.17Å; F433-W470 HydrophobicContact CZ-CE3 4.33Å; F433-W470 AromaticContact CZ-CG 3.92Å; F433-W470 HydrophobicContact CZ-CG 3.92Å; F433-V472 HydrophobicContact CD1-CG2 3.92Å; F433-V472 HydrophobicContact CE1-CG2 3.91Å; F433-V481 HydrophobicContact CB-CG1 4.19Å; F433-V481 HydrophobicContact CD1-CG1 4.39Å; F433-L500 HydrophobicContact CE2-CD2 3.58Å; F433-L500 HydrophobicContact CZ-CD2 3.67Å
434K85.4Confident82.4Confident54 Ų5451.3 Ų51.324%0.23526%0.263CS..Hα-helixtrans-62.9-39.6169.4-79-73.3168.7-161.60112.1Y430 P431 E437 N438Y430-K434 HydrophobicContact CD1-CG 4.34Å; Y430-K434 HydrophobicContact CE1-CG 3.81Å; Y430-K434 PolarHBondContact O-N 2.87Å; Y430-K434 VanDerWaalsContact O-N 3.09Å; Y430-K434 WeakPolarHBondContact OH-CE 3.42Å; P431-K434 PolarHBondContact O-N 3.29Å; K434-E437 IonicContact NZ-OE2 3.98Å; K434-E437 PolarHBondContact NZ-OE2 3.26Å; K434-E437 WeakPolarHBondContact O-CB 3.38Å; K434-E437 PolarHBondContact O-N 3.29Å; K434-N438 VanDerWaalsContact O-CG 3.24Å; K434-N438 PolarHBondContact O-N 3.46Å; K434-N438 PolarHBondContact O-ND2 2.91Å
435E83.3Confident83.3Confident90 Ų9055 Ų5542%0.42128%0.28SS..Hα-helixtrans-70.1-36.7176.9-167.759.6-168.700112.6P431 V432 F433 E437 N438 H439 V536P431-E435 PolarHBondContact O-N 2.61Å; V432-E435 PolarHBondContact O-N 3.09Å; F433-E435 VanDerWaalsContact C-N 3.32Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E435-N438 WeakPolarHBondContact O-CB 3.48Å; E435-N438 PolarHBondContact O-N 3.34Å; E435-N438 PolarHBondContact OE2-ND2 3.47Å; E435-H439 PolarHBondContact O-N 2.93Å; E435-V536 HydrophobicContact CB-CG2 4.18Å; E435-V536 HydrophobicContact CG-CB 4.45Å; E435-V536 HydrophobicContact CG-CG1 3.62Å; E435-V536 HydrophobicContact CG-CG2 3.92Å
436I85.6Confident84.4Confident5 Ų557.1 Ų57.13%0.02629%0.288CS..Hα-helixtrans-63.4-41.7171.8-65.3165.6000110.9V432 F433 H439 L440 V472 V481 M504V432-I436 HydrophobicContact CG1-CD1 4.18Å; V432-I436 WeakPolarHBondContact O-CG1 3.34Å; V432-I436 PolarHBondContact O-N 3.13Å; F433-I436 HydrophobicContact CD1-CD1 3.98Å; F433-I436 HydrophobicContact CE1-CD1 4.29Å; F433-I436 PolarHBondContact O-N 3.37Å; I436-H439 PolarHBondContact O-N 3.25Å; I436-L440 HydrophobicContact CG2-CD1 4.08Å; I436-L440 HydrophobicContact CG2-CG 4.47Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 2.99Å; I436-V472 HydrophobicContact CG2-CG1 3.74Å; I436-V472 HydrophobicContact CG2-CG2 4.4Å; I436-V481 HydrophobicContact CB-CG2 4.44Å; I436-V481 HydrophobicContact CG2-CG2 4Å; I436-M504 HydrophobicContact CD1-CE 3.52Å; I436-M504 HydrophobicContact CG1-CE 4.37Å
437E87.3Confident84.9Confident52 Ų5255.3 Ų55.324%0.24327%0.266CS..Hα-helixtrans-59.4-46.3174.5-177.3172.4-139.500111F433 K434 E435 H439 L440 L441 V481F433-E437 WeakPolarHBondContact O-CB 3.31Å; F433-E437 PolarHBondContact O-N 3.23Å; K434-E437 IonicContact NZ-OE2 3.98Å; K434-E437 PolarHBondContact NZ-OE2 3.26Å; K434-E437 WeakPolarHBondContact O-CB 3.38Å; K434-E437 PolarHBondContact O-N 3.29Å; E435-E437 VanDerWaalsContact C-N 3.34Å; E437-H439 PolarHBondContact O-N 3.36Å; E437-L440 PolarHBondContact O-N 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.43Å; E437-L441 PolarHBondContact O-N 3.26Å; E437-V481 HydrophobicContact CB-CB 4.17Å; E437-V481 HydrophobicContact CB-CG2 3.85Å
438N77.5Confident85Confident66 Ų6656.1 Ų56.135%0.35327%0.272SS..Hα-helixtrans-60.1-43.2174.7-69.9-25.5000112.3K434 E435 L441 Q442K434-N438 VanDerWaalsContact O-CG 3.24Å; K434-N438 PolarHBondContact O-N 3.46Å; K434-N438 PolarHBondContact O-ND2 2.91Å; E435-N438 WeakPolarHBondContact O-CB 3.48Å; E435-N438 PolarHBondContact O-N 3.34Å; E435-N438 PolarHBondContact OE2-ND2 3.47Å; N438-L441 PolarHBondContact O-N 3.47Å; N438-Q442 WeakPolarHBondContact O-CG 3.35Å; N438-Q442 PolarHBondContact O-N 3.41Å; N438-Q442 VanDerWaalsContact O-N 3.15Å
439H84.5Confident85.1Confident68 Ų6862 Ų6232%0.31529%0.292SS..Hα-helixtrans-63.7-43.1177.1-161151.3000110.7E435 I436 E437 L441 Q442 E443 L447E435-H439 PolarHBondContact O-N 2.93Å; I436-H439 PolarHBondContact O-N 3.25Å; E437-H439 PolarHBondContact O-N 3.36Å; H439-L441 VanDerWaalsContact C-N 3.3Å; H439-L441 PolarHBondContact O-N 2.9Å; H439-Q442 PolarHBondContact O-N 2.96Å; H439-Q442 VanDerWaalsContact O-N 3.11Å; H439-E443 IonicContact CD2-OE2 3.54Å; H439-E443 IonicContact CE1-OE2 3.79Å; H439-E443 IonicContact NE2-OE2 3.98Å; H439-E443 PolarHBondContact NE2-OE2 2.97Å; H439-E443 PolarHBondContact O-N 3.22Å; H439-L447 VanDerWaalsContact CD2-CD1 3.49Å; H439-L447 WeakPolarHBondContact CD2-CD1 3.35Å
440L82.3Confident85.1Confident3 Ų368 Ų682%0.01632%0.318CS..Hα-helixtrans-63.1-34.4175.6-70.1170.2000112.3I436 E437 Q442 G444 L447 V472 V474 V481I436-L440 HydrophobicContact CG2-CD1 4.08Å; I436-L440 HydrophobicContact CG2-CG 4.47Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 2.99Å; E437-L440 PolarHBondContact O-N 3.25Å; L440-Q442 VanDerWaalsContact C-N 3.31Å; L440-Q442 PolarHBondContact O-N 3.5Å; L440-G444 WeakPolarHBondContact O-CA 3.16Å; L440-G444 PolarHBondContact O-N 3.39Å; L440-L447 HydrophobicContact CD2-CB 4.21Å; L440-L447 HydrophobicContact CD2-CD1 3.86Å; L440-V472 HydrophobicContact CD1-CG1 4.04Å; L440-V474 HydrophobicContact CD2-CG1 4.01Å; L440-V474 HydrophobicContact CD2-CG2 4.24Å; L440-V481 HydrophobicContact CD1-CG2 4.03Å
441L79.1Confident85.3Confident129 Ų12966.3 Ų66.368%0.67531%0.311SS*.Hα-helixtrans-65.9-33.1173.5-70.6171.4000112.9E437 N438 H439E437-L441 WeakPolarHBondContact O-CG 3.43Å; E437-L441 PolarHBondContact O-N 3.26Å; N438-L441 PolarHBondContact O-N 3.47Å; H439-L441 VanDerWaalsContact C-N 3.3Å; H439-L441 PolarHBondContact O-N 2.9Å
442Q78.5Confident85.7Confident160 Ų16064.6 Ų64.675%0.74831%0.307SS*.Hα-helixtrans-87.3-46.3-177.5-66.517619.700113.5N438 H439 L440N438-Q442 WeakPolarHBondContact O-CG 3.35Å; N438-Q442 PolarHBondContact O-N 3.41Å; N438-Q442 VanDerWaalsContact O-N 3.15Å; H439-Q442 PolarHBondContact O-N 2.96Å; H439-Q442 VanDerWaalsContact O-N 3.11Å; L440-Q442 VanDerWaalsContact C-N 3.31Å; L440-Q442 PolarHBondContact O-N 3.5Å
443E85.4Confident86Confident72 Ų7264.1 Ų64.134%0.33630%0.304SS..Hα-helixtrans-123.317.6-174.1-57.7-160.8130.800113.7H439 E445 K446 L447H439-E443 IonicContact CD2-OE2 3.54Å; H439-E443 IonicContact CE1-OE2 3.79Å; H439-E443 IonicContact NE2-OE2 3.98Å; H439-E443 PolarHBondContact NE2-OE2 2.97Å; H439-E443 PolarHBondContact O-N 3.22Å; E443-E445 PolarHBondContact O-N 3.32Å; E443-K446 WeakPolarHBondContact O-CB 3.37Å; E443-K446 PolarHBondContact O-N 2.96Å; E443-K446 IonicContact OE1-NZ 2.88Å; E443-K446 PolarHBondContact OE1-NZ 3.4Å; E443-K446 IonicContact OE2-NZ 3.52Å; E443-L447 HydrophobicContact CB-CG 4.48Å; E443-L447 PolarHBondContact O-N 3.34Å
444G85Confident86.2Confident3 Ų364.3 Ų64.33%0.03131%0.305CS..Hα-helixtrans-49.2-47.6-171.600000115.7L440 K446 L447 V448 R478L440-G444 WeakPolarHBondContact O-CA 3.16Å; L440-G444 PolarHBondContact O-N 3.39Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 2.96Å; G444-L447 PolarHBondContact O-N 3.15Å; G444-V448 WeakPolarHBondContact O-CB 3.27Å; G444-V448 VanDerWaalsContact O-CG2 3.24Å; G444-V448 WeakPolarHBondContact O-CG2 3.41Å; G444-V448 PolarHBondContact O-N 2.97Å; G444-R478 CarbonylContact C-O 3.53Å; G444-R478 WeakPolarHBondContact CA-O 3.49Å
445E88.1Confident86.6Confident98 Ų9861.7 Ų61.746%0.45829%0.294SS..Hα-helixtrans-62.1-35.7-179.4-63-178.8-169.200112.6E443 R449 R478E443-E445 PolarHBondContact O-N 3.32Å; E445-R449 WeakPolarHBondContact O-CG 3.43Å; E445-R449 PolarHBondContact O-N 3.26Å; E445-R478 HydrophobicContact CG-CG 3.89Å; E445-R478 IonicContact OE1-CZ 3.22Å; E445-R478 IonicContact OE1-NE 2.7Å; E445-R478 PolarHBondContact OE1-NE 3.45Å; E445-R478 IonicContact OE1-NH2 3.93Å; E445-R478 PolarHBondContact OE1-NH2 3.3Å
446K88.4Confident87.1Confident126 Ų12657.8 Ų57.855%0.54828%0.277SS..Hα-helixtrans-73.6-41.4177.3178.4-174.5169.8-162.40110.8E443 G444 R449 K450E443-K446 WeakPolarHBondContact O-CB 3.37Å; E443-K446 PolarHBondContact O-N 2.96Å; E443-K446 IonicContact OE1-NZ 2.88Å; E443-K446 PolarHBondContact OE1-NZ 3.4Å; E443-K446 IonicContact OE2-NZ 3.52Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 2.96Å; K446-R449 PolarHBondContact O-N 2.79Å; K446-K450 WeakPolarHBondContact O-CB 3.37Å; K446-K450 PolarHBondContact O-N 3.48Å; K446-K450 VanDerWaalsContact O-N 3.09Å
447L85.2Confident87.6Confident8 Ų857.6 Ų57.64%0.04228%0.276CS..Hα-helixtrans-66.6-42.2176.9-74.2174.2000112H439 L440 E443 G444 R449 K450 V451 V474H439-L447 VanDerWaalsContact CD2-CD1 3.49Å; H439-L447 WeakPolarHBondContact CD2-CD1 3.35Å; L440-L447 HydrophobicContact CD2-CB 4.21Å; L440-L447 HydrophobicContact CD2-CD1 3.86Å; E443-L447 HydrophobicContact CB-CG 4.48Å; E443-L447 PolarHBondContact O-N 3.34Å; G444-L447 PolarHBondContact O-N 3.15Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.45Å; L447-K450 PolarHBondContact O-N 2.88Å; L447-K450 VanDerWaalsContact O-N 3.13Å; L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 WeakPolarHBondContact O-CG2 3.37Å; L447-V451 PolarHBondContact O-N 3.15Å; L447-V474 HydrophobicContact CB-CG1 3.89Å
448V89.4Confident87.9Confident23 Ų2359.9 Ų59.914%0.13929%0.285CS..Hα-helixtrans-59-44.6175.7169.70000111.1G444 K450 G452 V474 K475G444-V448 WeakPolarHBondContact O-CB 3.27Å; G444-V448 VanDerWaalsContact O-CG2 3.24Å; G444-V448 WeakPolarHBondContact O-CG2 3.41Å; G444-V448 PolarHBondContact O-N 2.97Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 3.07Å; V448-G452 VanDerWaalsContact O-CA 3.27Å; V448-G452 WeakPolarHBondContact O-CA 3.43Å; V448-G452 PolarHBondContact O-N 3.41Å; V448-V474 WeakPolarHBondContact CA-O 3.11Å; V448-V474 HydrophobicContact CG2-CG1 4.22Å; V448-K475 WeakPolarHBondContact CG1-O 3.49Å
449R88.8Confident88.7Confident220 Ų22056.7 Ų56.783%0.8327%0.268SS*.Hα-helixtrans-64.2-35.9175.3-71.6177.2-170.4-175.55.4113.2E445 K446 L447E445-R449 WeakPolarHBondContact O-CG 3.43Å; E445-R449 PolarHBondContact O-N 3.26Å; K446-R449 PolarHBondContact O-N 2.79Å; L447-R449 VanDerWaalsContact C-N 3.34Å; L447-R449 PolarHBondContact O-N 3.45Å
450K87.1Confident89.1Confident126 Ų12657 Ų5755%0.54827%0.269SS..Hα-helixtrans-79.9-40.2-176-166.3-176.2-169.3-163.60112.7K446 L447 V448 N533K446-K450 WeakPolarHBondContact O-CB 3.37Å; K446-K450 PolarHBondContact O-N 3.48Å; K446-K450 VanDerWaalsContact O-N 3.09Å; L447-K450 PolarHBondContact O-N 2.88Å; L447-K450 VanDerWaalsContact O-N 3.13Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 3.07Å; K450-N533 WeakPolarHBondContact CE-OD1 3.42Å; K450-N533 PolarHBondContact NZ-OD1 2.81Å
451V91.4Very high89.4Confident1 Ų162.9 Ų62.91%0.00630%0.3CS..Hα-helixtrans-97.6-58.2-171.5-178.70000110.7L447 F455 V474 M527 K530 N533L447-V451 WeakPolarHBondContact O-CB 3.49Å; L447-V451 WeakPolarHBondContact O-CG2 3.37Å; L447-V451 PolarHBondContact O-N 3.15Å; V451-F455 HydrophobicContact CG1-CE2 3.61Å; V451-F455 HydrophobicContact CG1-CZ 4.06Å; V451-V474 HydrophobicContact CB-CB 4.22Å; V451-V474 HydrophobicContact CB-CG1 3.85Å; V451-V474 HydrophobicContact CG1-CB 4.16Å; V451-V474 HydrophobicContact CG1-CG1 4.31Å; V451-V474 HydrophobicContact CG2-CG1 4.27Å; V451-M527 HydrophobicContact CG1-CE 3.87Å; V451-K530 HydrophobicContact CG1-CB 4.35Å; V451-K530 WeakPolarHBondContact O-CD 3.37Å; V451-K530 PolarHBondContact O-NZ 3.3Å; V451-N533 HydrophobicContact CG2-CB 3.87Å
452G90.8Very high89.8Confident39 Ų3957.2 Ų57.240%0.40227%0.272SS..  trans69.139.817100000115.1V448 V474V448-G452 VanDerWaalsContact O-CA 3.27Å; V448-G452 WeakPolarHBondContact O-CA 3.43Å; V448-G452 PolarHBondContact O-N 3.41Å; G452-V474 VanDerWaalsContact CA-O 3.32Å; G452-V474 WeakPolarHBondContact CA-O 3.5Å; G452-V474 PolarHBondContact N-O 2.87Å; G452-V474 VanDerWaalsContact N-O 3.15Å
453G92.8Very high89.8Confident0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-165.6171.2-179.300000114.8V474 D490G453-V474 PolarHBondContact N-O 3.09Å; G453-V474 VanDerWaalsContact N-O 3.12Å; G453-V474 CarbonylContact O-C 3.3Å; G453-V474 VanDerWaalsContact O-C 3.3Å; G453-V474 WeakPolarHBondContact O-CA 3.39Å; G453-V474 PolarHBondContact O-N 3.28Å; G453-D490 WeakPolarHBondContact CA-OD2 3.39Å
454V93.4Very high89.6Confident7 Ų755.3 Ų55.34%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-110127-177.3-174.50000110.2V471 V472 D473 K475 A489 D490 C491V454-V471 HydrophobicContact CG1-CG1 3.48Å; V454-V471 VanDerWaalsContact CG1-CG1 3.48Å; V454-V472 WeakPolarHBondContact CA-O 3.46Å; V454-D473 HydrophobicContact CG2-CB 4.34Å; V454-K475 HydrophobicContact CG2-CB 3.99Å; V454-K475 HydrophobicContact CG2-CD 4.16Å; V454-A489 HydrophobicContact CG1-CB 4.28Å; V454-D490 PolarHBondContact N-OD2 3.18Å; V454-D490 PolarHBondContact O-N 2.96Å; V454-C491 PolarHBondContact O-N 2.94Å
455F94.8Very high89.4Confident0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-106.4137.4176.1-62.2-88.3000110.9V451 F457 V471 V472 C491 L493 M527 L534V451-F455 HydrophobicContact CG1-CE2 3.61Å; V451-F455 HydrophobicContact CG1-CZ 4.06Å; F455-F457 HydrophobicContact CB-CD2 4.22Å; F455-F457 HydrophobicContact CB-CE2 3.5Å; F455-F457 VanDerWaalsContact CB-CE2 3.5Å; F455-F457 HydrophobicContact CB-CZ 4.04Å; F455-F457 HydrophobicContact CG-CE2 4.39Å; F455-V471 CarbonylContact O-C 3.48Å; F455-V471 VanDerWaalsContact O-CA 3.27Å; F455-V471 WeakPolarHBondContact O-CA 3.43Å; F455-V472 HydrophobicContact CB-CB 4.47Å; F455-V472 PolarHBondContact N-O 2.95Å; F455-V472 PolarHBondContact O-N 2.97Å; F455-C491 CarbonylContact C-O 3.53Å; F455-C491 VanDerWaalsContact CA-O 3.32Å; F455-C491 WeakPolarHBondContact CA-O 3.33Å; F455-C491 HydrophobicContact CD1-CB 4.01Å; F455-C491 HydrophobicContact CE1-CB 4.28Å; F455-L493 HydrophobicContact CB-CD1 4.42Å; F455-L493 HydrophobicContact CD1-CD1 3.92Å; F455-M527 HydrophobicContact CE1-CB 4.25Å; F455-M527 HydrophobicContact CE1-CE 4.28Å; F455-M527 VanDerWaalsContact CE1-O 3.24Å; F455-M527 WeakPolarHBondContact CE1-O 3.43Å; F455-M527 HydrophobicContact CE2-CE 3.85Å; F455-M527 HydrophobicContact CZ-CB 4.49Å; F455-M527 HydrophobicContact CZ-CE 3.55Å; F455-M527 WeakPolarHBondContact CZ-O 3.16Å; F455-L534 HydrophobicContact CD2-CD1 3.81Å; F455-L534 HydrophobicContact CE2-CD1 3.74Å
456A94.5Very high89.3Confident7 Ų757.4 Ų57.46%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-108.8134.8164.100000110W470 V471 A489 C491 T492 L493A456-W470 CarbonylContact C-O 3.57Å; A456-W470 WeakPolarHBondContact CA-O 3.18Å; A456-V471 HydrophobicContact CB-CG2 4.33Å; A456-A489 HydrophobicContact CB-CB 3.55Å; A456-C491 PolarHBondContact N-O 2.83Å; A456-T492 HydrophobicContact CB-CG2 4.11Å; A456-T492 CarbonylContact O-C 3.56Å; A456-T492 VanDerWaalsContact O-CA 3.24Å; A456-T492 WeakPolarHBondContact O-CA 3.46Å; A456-L493 PolarHBondContact O-N 3.34Å
457F94.8Very high89.4Confident1 Ų157.2 Ų57.20%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-117106.1177.6-63-99.1000108.4F433 F455 V459 T469 W470 V472 L493 L500 L531F433-F457 HydrophobicContact CE1-CB 4.16Å; F433-F457 HydrophobicContact CE1-CD1 4.32Å; F433-F457 AromaticContact CE1-CD2 3.53Å; F433-F457 HydrophobicContact CE1-CD2 3.53Å; F433-F457 AromaticContact CE1-CE2 3.9Å; F433-F457 HydrophobicContact CE1-CE2 3.9Å; F433-F457 AromaticContact CE1-CG 3.76Å; F433-F457 HydrophobicContact CE1-CG 3.76Å; F433-F457 HydrophobicContact CE1-CZ 4.42Å; F433-F457 HydrophobicContact CE2-CB 4.49Å; F433-F457 HydrophobicContact CZ-CB 3.54Å; F433-F457 HydrophobicContact CZ-CD1 4.01Å; F433-F457 AromaticContact CZ-CD2 3.82Å; F433-F457 HydrophobicContact CZ-CD2 3.82Å; F433-F457 HydrophobicContact CZ-CE2 4.49Å; F433-F457 AromaticContact CZ-CG 3.54Å; F433-F457 HydrophobicContact CZ-CG 3.54Å; F455-F457 HydrophobicContact CB-CD2 4.22Å; F455-F457 HydrophobicContact CB-CE2 3.5Å; F455-F457 VanDerWaalsContact CB-CE2 3.5Å; F455-F457 HydrophobicContact CB-CZ 4.04Å; F455-F457 HydrophobicContact CG-CE2 4.39Å; F457-V459 HydrophobicContact CB-CG2 4.4Å; F457-V459 PolarHBondContact O-N 3.08Å; F457-T469 VanDerWaalsContact O-CA 3.26Å; F457-T469 WeakPolarHBondContact O-CA 3.45Å; F457-W470 HydrophobicContact CB-CB 4.45Å; F457-W470 PolarHBondContact N-O 2.79Å; F457-W470 PolarHBondContact O-N 2.86Å; F457-V472 HydrophobicContact CD2-CG2 4.04Å; F457-V472 HydrophobicContact CE2-CB 4.13Å; F457-V472 HydrophobicContact CE2-CG2 3.61Å; F457-L493 CarbonylContact C-O 3.55Å; F457-L493 WeakPolarHBondContact CA-O 3.49Å; F457-L493 HydrophobicContact CD1-CB 4.18Å; F457-L493 HydrophobicContact CD1-CD1 4.06Å; F457-L493 HydrophobicContact CE1-CD1 3.81Å; F457-L493 HydrophobicContact CZ-CD1 4.09Å; F457-L500 HydrophobicContact CD1-CD1 3.99Å; F457-L500 HydrophobicContact CE1-CD1 4.29Å; F457-L531 HydrophobicContact CE1-CD1 3.69Å; F457-L531 HydrophobicContact CZ-CD1 3.45Å; F457-L531 VanDerWaalsContact CZ-CD1 3.45Å
458K94.3Very high89.6Confident100 Ų10057.3 Ų57.344%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-88.896.9172.6-64.8-173.6176.2-174.70108.5T469 T492 L493 S494 I495K458-T469 HydrophobicContact CG-CG2 4.41Å; K458-T492 HydrophobicContact CD-CG2 3.94Å; K458-T492 HydrophobicContact CG-CG2 3.95Å; K458-L493 PolarHBondContact N-O 3.45Å; K458-S494 VanDerWaalsContact O-CA 3.28Å; K458-S494 WeakPolarHBondContact O-CA 3.32Å; K458-I495 PolarHBondContact O-N 2.93Å; K458-I495 VanDerWaalsContact O-N 3.12Å
459V93.9Very high89.8Confident0 Ų057.8 Ų57.80%030%0.299CS..EExtended strand (participates in β ladder)trans-89.7129.1-177.1-170.20000109.4F427 A429 F433 F457 E467 A468 W470 I495 D497 L500F427-V459 HydrophobicContact CD1-CB 4.47Å; F427-V459 HydrophobicContact CD1-CG1 3.98Å; F427-V459 HydrophobicContact CE1-CB 4.48Å; F427-V459 HydrophobicContact CE1-CG1 4.27Å; A429-V459 HydrophobicContact CB-CG1 4.2Å; A429-V459 HydrophobicContact CB-CG2 4.37Å; F433-V459 HydrophobicContact CE2-CG2 4.31Å; F457-V459 HydrophobicContact CB-CG2 4.4Å; F457-V459 PolarHBondContact O-N 3.08Å; V459-E467 VanDerWaalsContact O-CA 3.3Å; V459-E467 WeakPolarHBondContact O-CA 3.42Å; V459-A468 PolarHBondContact N-O 2.98Å; V459-A468 PolarHBondContact O-N 2.79Å; V459-W470 HydrophobicContact CB-CE3 4.26Å; V459-W470 HydrophobicContact CB-CZ3 3.69Å; V459-W470 HydrophobicContact CG1-CZ3 4.42Å; V459-W470 HydrophobicContact CG2-CE3 3.53Å; V459-W470 HydrophobicContact CG2-CZ3 3.4Å; V459-I495 CarbonylContact C-O 3.43Å; V459-I495 VanDerWaalsContact CA-O 3.28Å; V459-I495 WeakPolarHBondContact CA-O 3.18Å; V459-D497 VanDerWaalsContact CG1-CA 3.42Å; V459-D497 HydrophobicContact CG1-CB 3.8Å; V459-L500 HydrophobicContact CG1-CD2 4.42Å; V459-L500 HydrophobicContact CG2-CD2 3.45Å; V459-L500 VanDerWaalsContact CG2-CD2 3.45Å
460K92.5Very high90Very high74 Ų7447.4 Ų47.432%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-113.2169.3-179.3-55.7-179.4167.1-91.90110.5G462 E467 I495 G496 D497K460-G462 PolarHBondContact O-N 2.83Å; K460-E467 HydrophobicContact CB-CG 4.4Å; K460-E467 HydrophobicContact CG-CG 4.23Å; K460-E467 IonicContact NZ-OE1 2.96Å; K460-E467 PolarHBondContact NZ-OE1 3.28Å; K460-E467 IonicContact NZ-OE2 2.76Å; K460-E467 PolarHBondContact NZ-OE2 2.86Å; K460-I495 PolarHBondContact N-O 3.33Å; K460-G496 CarbonylContact O-C 3.6Å; K460-G496 WeakPolarHBondContact O-CA 3.5Å; K460-D497 PolarHBondContact O-N 3.36Å
461D90.1Very high90.3Very high127 Ų12741.5 Ų41.568%0.67923%0.234SC*.SBendtrans58.436175.2-46.6-47.5000113.3
462G85.4Confident90.4Very high9 Ų941.4 Ų41.49%0.09323%0.234CC..  trans-74.6-173.4173.300000113F427 K460 D464 G465 R466F427-G462 VanDerWaalsContact CE1-CA 3.44Å; K460-G462 PolarHBondContact O-N 2.83Å; G462-D464 PolarHBondContact O-N 2.62Å; G462-G465 WeakPolarHBondContact O-CA 3.46Å; G462-G465 PolarHBondContact O-N 2.96Å; G462-R466 WeakPolarHBondContact CA-O 3.4Å; G462-R466 PolarHBondContact N-O 3.26Å
463P79.9Confident90.4Very high33 Ų3339.9 Ų39.921%0.21422%0.216CC..G310 helixtrans-52131.2177.2-22.730.5000111.4G426 F427 G465 R466G426-P463 WeakPolarHBondContact O-CG 3.22Å; F427-P463 HydrophobicContact CD2-CG 4.44Å; P463-G465 PolarHBondContact O-N 2.95Å; P463-R466 WeakPolarHBondContact O-CB 3.47Å; P463-R466 VanDerWaalsContact O-CG 3.3Å; P463-R466 WeakPolarHBondContact O-CG 3.44Å; P463-R466 PolarHBondContact O-N 3.24Å; P463-R466 PolarHBondContact O-NE 2.9Å
464D80Confident90.4Very high160 Ų16039.9 Ų39.986%0.85622%0.216SC*.G310 helixtrans58.825.1-177.9-48-52.7000113.8G462 R466G462-D464 PolarHBondContact O-N 2.62Å; D464-R466 VanDerWaalsContact C-N 3.32Å; D464-R466 PolarHBondContact O-N 3.38Å
465G81.1Confident90.2Very high60 Ų6044.1 Ų44.162%0.61923%0.234SC*.G310 helixtrans77.513.9179.200000114.3G462 P463G462-G465 WeakPolarHBondContact O-CA 3.46Å; G462-G465 PolarHBondContact O-N 2.96Å; P463-G465 PolarHBondContact O-N 2.95Å
466R86.8Confident89.7Confident85 Ų8548.5 Ų48.532%0.32126%0.258SS..  trans-71.4150.6-178.2-65.9-173.8-68.5161.4-1.7112.3D423 F427 G462 P463 D464D423-R466 PolarHBondContact O-NH1 3.45Å; D423-R466 IonicContact OD1-CZ 3.49Å; D423-R466 IonicContact OD1-NH1 2.8Å; D423-R466 PolarHBondContact OD1-NH1 3.04Å; F427-R466 WeakPolarHBondContact CE1-O 3.4Å; F427-R466 HydrophobicContact CE2-CB 4.31Å; F427-R466 HydrophobicContact CZ-CB 3.95Å; F427-R466 WeakPolarHBondContact CZ-O 3.37Å; G462-R466 WeakPolarHBondContact CA-O 3.4Å; G462-R466 PolarHBondContact N-O 3.26Å; P463-R466 WeakPolarHBondContact O-CB 3.47Å; P463-R466 VanDerWaalsContact O-CG 3.3Å; P463-R466 WeakPolarHBondContact O-CG 3.44Å; P463-R466 PolarHBondContact O-N 3.24Å; P463-R466 PolarHBondContact O-NE 2.9Å; D464-R466 VanDerWaalsContact C-N 3.32Å; D464-R466 PolarHBondContact O-N 3.38Å
467E90.1Very high89.4Confident122 Ų12251.4 Ų51.457%0.5729%0.288SS*.  trans-108.4148.9169.5-60.1-165.2167.300110.6V459 K460V459-E467 VanDerWaalsContact O-CA 3.3Å; V459-E467 WeakPolarHBondContact O-CA 3.42Å; K460-E467 HydrophobicContact CB-CG 4.4Å; K460-E467 HydrophobicContact CG-CG 4.23Å; K460-E467 IonicContact NZ-OE1 2.96Å; K460-E467 PolarHBondContact NZ-OE1 3.28Å; K460-E467 IonicContact NZ-OE2 2.76Å; K460-E467 PolarHBondContact NZ-OE2 2.86Å
468A90.4Very high89Confident9 Ų959 Ų597%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-144.9153.418000000112.1L424 F427 V459 W470L424-A468 HydrophobicContact CD2-CB 3.24Å; F427-A468 HydrophobicContact CD1-CB 4.38Å; F427-A468 HydrophobicContact CD2-CB 4.43Å; F427-A468 HydrophobicContact CE1-CB 3.77Å; F427-A468 HydrophobicContact CE2-CB 3.85Å; F427-A468 HydrophobicContact CZ-CB 3.48Å; F427-A468 VanDerWaalsContact CZ-CB 3.48Å; V459-A468 PolarHBondContact N-O 2.98Å; V459-A468 PolarHBondContact O-N 2.79Å; A468-W470 HydrophobicContact CB-CE3 4.19Å; A468-W470 HydrophobicContact CB-CH2 3.66Å; A468-W470 HydrophobicContact CB-CZ3 3.38Å
469T91.9Very high88.7Confident33 Ų3355.1 Ų55.120%0.20231%0.305CS..EExtended strand (participates in β ladder)trans-120.6129.4176.6-58.20000111.2F457 K458 V471 N483F457-T469 VanDerWaalsContact O-CA 3.26Å; F457-T469 WeakPolarHBondContact O-CA 3.45Å; K458-T469 HydrophobicContact CG-CG2 4.41Å; T469-V471 HydrophobicContact CG2-CG2 4.35Å; T469-N483 PolarHBondContact O-ND2 3.12Å
470W93.1Very high88.5Confident3 Ų357.2 Ų57.21%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-111.5141.6166.9-72.8-101000109.9L424 F427 Y430 F433 A456 F457 V459 A468 T482 N483L424-W470 HydrophobicContact CB-CH2 4.41Å; L424-W470 HydrophobicContact CB-CZ2 3.85Å; L424-W470 HydrophobicContact CD1-CZ2 3.97Å; L424-W470 HydrophobicContact CD2-CH2 4.22Å; L424-W470 HydrophobicContact CD2-CZ2 4.34Å; L424-W470 HydrophobicContact CG-CZ2 4.29Å; F427-W470 HydrophobicContact CB-CH2 3.79Å; F427-W470 HydrophobicContact CB-CZ2 4.39Å; F427-W470 AromaticContact CD1-CH2 3.94Å; F427-W470 HydrophobicContact CD1-CH2 3.94Å; F427-W470 HydrophobicContact CD1-CZ3 4.32Å; F427-W470 HydrophobicContact CD2-CH2 4.19Å; F427-W470 AromaticContact CG-CH2 3.73Å; F427-W470 HydrophobicContact CG-CH2 3.73Å; Y430-W470 HydrophobicContact CD2-CZ2 4.34Å; F433-W470 HydrophobicContact CB-CG 4.24Å; F433-W470 HydrophobicContact CD1-CB 3.81Å; F433-W470 AromaticContact CD1-CD1 3.99Å; F433-W470 AromaticContact CD1-CG 3.92Å; F433-W470 HydrophobicContact CD1-CG 3.92Å; F433-W470 HydrophobicContact CD2-CB 3.98Å; F433-W470 AromaticContact CD2-CD1 3.44Å; F433-W470 VanDerWaalsContact CD2-CD1 3.44Å; F433-W470 AromaticContact CD2-CD2 3.33Å; F433-W470 HydrophobicContact CD2-CD2 3.33Å; F433-W470 AromaticContact CD2-CE2 3.47Å; F433-W470 VanDerWaalsContact CD2-CE2 3.47Å; F433-W470 AromaticContact CD2-CE3 3.98Å; F433-W470 HydrophobicContact CD2-CE3 3.98Å; F433-W470 AromaticContact CD2-CG 3.32Å; F433-W470 HydrophobicContact CD2-CG 3.32Å; F433-W470 HydrophobicContact CD2-CZ2 4.18Å; F433-W470 AromaticContact CD2-NE1 3.54Å; F433-W470 HydrophobicContact CE1-CB 3.67Å; F433-W470 HydrophobicContact CE1-CG 4.11Å; F433-W470 HydrophobicContact CE2-CB 3.8Å; F433-W470 AromaticContact CE2-CD2 3.37Å; F433-W470 HydrophobicContact CE2-CD2 3.37Å; F433-W470 AromaticContact CE2-CE2 3.96Å; F433-W470 AromaticContact CE2-CE3 3.56Å; F433-W470 HydrophobicContact CE2-CE3 3.56Å; F433-W470 AromaticContact CE2-CG 3.5Å; F433-W470 HydrophobicContact CE2-CG 3.5Å; F433-W470 HydrophobicContact CE2-CZ3 4.27Å; F433-W470 HydrophobicContact CG-CB 3.98Å; F433-W470 AromaticContact CG-CD1 3.37Å; F433-W470 HydrophobicContact CG-CD2 4.07Å; F433-W470 AromaticContact CG-CG 3.55Å; F433-W470 HydrophobicContact CG-CG 3.55Å; F433-W470 AromaticContact CG-NE1 3.79Å; F433-W470 HydrophobicContact CZ-CB 3.67Å; F433-W470 HydrophobicContact CZ-CD2 4.17Å; F433-W470 HydrophobicContact CZ-CE3 4.33Å; F433-W470 AromaticContact CZ-CG 3.92Å; F433-W470 HydrophobicContact CZ-CG 3.92Å; A456-W470 CarbonylContact C-O 3.57Å; A456-W470 WeakPolarHBondContact CA-O 3.18Å; F457-W470 HydrophobicContact CB-CB 4.45Å; F457-W470 PolarHBondContact N-O 2.79Å; F457-W470 PolarHBondContact O-N 2.86Å; V459-W470 HydrophobicContact CB-CE3 4.26Å; V459-W470 HydrophobicContact CB-CZ3 3.69Å; V459-W470 HydrophobicContact CG1-CZ3 4.42Å; V459-W470 HydrophobicContact CG2-CE3 3.53Å; V459-W470 HydrophobicContact CG2-CZ3 3.4Å; A468-W470 HydrophobicContact CB-CE3 4.19Å; A468-W470 HydrophobicContact CB-CH2 3.66Å; A468-W470 HydrophobicContact CB-CZ3 3.38Å; W470-T482 CarbonylContact C-O 3.52Å; W470-T482 WeakPolarHBondContact CA-O 3.4Å; W470-N483 PolarHBondContact NE1-ND2 3.45Å; W470-N483 VanDerWaalsContact NE1-ND2 3.13Å
471V93.6Very high88.4Confident1 Ų154.5 Ų54.51%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-119.4117.4175-176.50000108.8V454 F455 A456 T469 V481 T482 D484 K487V454-V471 HydrophobicContact CG1-CG1 3.48Å; V454-V471 VanDerWaalsContact CG1-CG1 3.48Å; F455-V471 CarbonylContact O-C 3.48Å; F455-V471 VanDerWaalsContact O-CA 3.27Å; F455-V471 WeakPolarHBondContact O-CA 3.43Å; A456-V471 HydrophobicContact CB-CG2 4.33Å; T469-V471 HydrophobicContact CG2-CG2 4.35Å; V471-V481 CarbonylContact O-C 3.53Å; V471-V481 WeakPolarHBondContact O-CA 3.04Å; V471-T482 PolarHBondContact N-O 3.4Å; V471-T482 PolarHBondContact O-N 2.9Å; V471-D484 WeakPolarHBondContact CG2-O 3.47Å; V471-K487 HydrophobicContact CB-CD 4.49Å; V471-K487 HydrophobicContact CG1-CB 4.24Å; V471-K487 HydrophobicContact CG1-CD 3.84Å; V471-K487 HydrophobicContact CG1-CG 4.06Å; V471-K487 HydrophobicContact CG2-CB 4.33Å
472V93.4Very high88.2Confident0 Ų050.6 Ų50.60%029%0.29CS..EExtended strand (participates in β ladder)trans-104.5104.6178-174.10000107.9F433 I436 L440 V454 F455 F457 V474 S480 V481 L534F433-V472 HydrophobicContact CD1-CG2 3.92Å; F433-V472 HydrophobicContact CE1-CG2 3.91Å; I436-V472 HydrophobicContact CG2-CG1 3.74Å; I436-V472 HydrophobicContact CG2-CG2 4.4Å; L440-V472 HydrophobicContact CD1-CG1 4.04Å; V454-V472 WeakPolarHBondContact CA-O 3.46Å; F455-V472 HydrophobicContact CB-CB 4.47Å; F455-V472 PolarHBondContact N-O 2.95Å; F455-V472 PolarHBondContact O-N 2.97Å; F457-V472 HydrophobicContact CD2-CG2 4.04Å; F457-V472 HydrophobicContact CE2-CB 4.13Å; F457-V472 HydrophobicContact CE2-CG2 3.61Å; V472-V474 HydrophobicContact CG1-CG2 3.63Å; V472-S480 CarbonylContact C-O 3.54Å; V472-V481 HydrophobicContact CG1-CG2 4.3Å; V472-V481 HydrophobicContact CG2-CG1 4.39Å; V472-V481 HydrophobicContact CG2-CG2 4.24Å; V472-L534 HydrophobicContact CG1-CD1 4.27Å
473D91.9Very high88.2Confident6 Ų652.7 Ų52.73%0.03230%0.299CS..EExtended strand (participates in β ladder)trans-86.5110.6174.8-171.8-26.4000109V454 K475 N476 G479 S480 K487V454-D473 HydrophobicContact CG2-CB 4.34Å; D473-K475 WeakPolarHBondContact OD1-CB 3.45Å; D473-K475 PolarHBondContact OD1-N 2.85Å; D473-N476 PolarHBondContact OD1-N 2.81Å; D473-N476 PolarHBondContact OD1-ND2 3.43Å; D473-N476 PolarHBondContact OD2-ND2 3.17Å; D473-G479 CarbonylContact O-C 3.59Å; D473-G479 WeakPolarHBondContact O-CA 3.43Å; D473-S480 PolarHBondContact N-O 2.86Å; D473-S480 PolarHBondContact O-N 2.91Å; D473-K487 IonicContact OD2-NZ 2.67Å; D473-K487 PolarHBondContact OD2-NZ 3.25Å
474V91.5Very high88.1Confident0 Ų055 Ų550%031%0.31CS..EExtended strand (participates in β ladder)trans-120.438.6174.2-1580000108.7L440 L447 V448 V451 G452 G453 V472 L534L440-V474 HydrophobicContact CD2-CG1 4.01Å; L440-V474 HydrophobicContact CD2-CG2 4.24Å; L447-V474 HydrophobicContact CB-CG1 3.89Å; V448-V474 WeakPolarHBondContact CA-O 3.11Å; V448-V474 HydrophobicContact CG2-CG1 4.22Å; V451-V474 HydrophobicContact CB-CB 4.22Å; V451-V474 HydrophobicContact CB-CG1 3.85Å; V451-V474 HydrophobicContact CG1-CB 4.16Å; V451-V474 HydrophobicContact CG1-CG1 4.31Å; V451-V474 HydrophobicContact CG2-CG1 4.27Å; G452-V474 VanDerWaalsContact CA-O 3.32Å; G452-V474 WeakPolarHBondContact CA-O 3.5Å; G452-V474 PolarHBondContact N-O 2.87Å; G452-V474 VanDerWaalsContact N-O 3.15Å; G453-V474 PolarHBondContact N-O 3.09Å; G453-V474 VanDerWaalsContact N-O 3.12Å; G453-V474 CarbonylContact O-C 3.3Å; G453-V474 VanDerWaalsContact O-C 3.3Å; G453-V474 WeakPolarHBondContact O-CA 3.39Å; G453-V474 PolarHBondContact O-N 3.28Å; V472-V474 HydrophobicContact CG1-CG2 3.63Å; V474-L534 HydrophobicContact CG2-CD1 4.04Å; V474-L534 HydrophobicContact CG2-CD2 4.08Å
475K90.1Very high87.6Confident97 Ų9752.4 Ų52.442%0.42230%0.302SS..SBendtrans-125.2-39.7-177-168.5178.8-169.5166.70111.9V448 V454 D473 D490V448-K475 WeakPolarHBondContact CG1-O 3.49Å; V454-K475 HydrophobicContact CG2-CB 3.99Å; V454-K475 HydrophobicContact CG2-CD 4.16Å; D473-K475 WeakPolarHBondContact OD1-CB 3.45Å; D473-K475 PolarHBondContact OD1-N 2.85Å; K475-D490 IonicContact NZ-OD1 2.97Å; K475-D490 PolarHBondContact NZ-OD1 2.99Å; K475-D490 IonicContact NZ-OD2 3.34Å
476N84.3Confident87.1Confident92 Ų9252.4 Ų52.449%0.49230%0.302SS..SBendtrans-110.4140-171.9-56.1-61.5000112.1D473 R478 G479D473-N476 PolarHBondContact OD1-N 2.81Å; D473-N476 PolarHBondContact OD1-ND2 3.43Å; D473-N476 PolarHBondContact OD2-ND2 3.17Å; N476-R478 PolarHBondContact O-N 3.04Å; N476-G479 WeakPolarHBondContact O-CA 2.96Å; N476-G479 PolarHBondContact O-N 2.92Å
477G88.8Confident86.6Confident68 Ų6851.3 Ų51.370%0.70130%0.299SS*.THydrogen-bonded Turntrans57.3-127.6176.700000112.7G479G477-G479 VanDerWaalsContact C-N 3.34Å
478R85.8Confident86.3Confident160 Ų16051.5 Ų51.560%0.60431%0.309SS*.THydrogen-bonded Turntrans-937.5172.1-63.6-169.6167.6167.4-1.8113.1G444 E445 N476G444-R478 CarbonylContact C-O 3.53Å; G444-R478 WeakPolarHBondContact CA-O 3.49Å; E445-R478 HydrophobicContact CG-CG 3.89Å; E445-R478 IonicContact OE1-CZ 3.22Å; E445-R478 IonicContact OE1-NE 2.7Å; E445-R478 PolarHBondContact OE1-NE 3.45Å; E445-R478 IonicContact OE1-NH2 3.93Å; E445-R478 PolarHBondContact OE1-NH2 3.3Å; N476-R478 PolarHBondContact O-N 3.04Å
479G88.7Confident86.4Confident19 Ų1952.7 Ų52.720%0.19632%0.319CS..  trans77.8163.5-169.200000113.1D473 N476 G477D473-G479 CarbonylContact O-C 3.59Å; D473-G479 WeakPolarHBondContact O-CA 3.43Å; N476-G479 WeakPolarHBondContact O-CA 2.96Å; N476-G479 PolarHBondContact O-N 2.92Å; G477-G479 VanDerWaalsContact C-N 3.34Å
480S88.6Confident86.4Confident44 Ų4453.6 Ų53.631%0.30832%0.322SS..EExtended strand (participates in β ladder)trans-156.8157.7-17954.60000111.4V472 D473V472-S480 CarbonylContact C-O 3.54Å; D473-S480 PolarHBondContact N-O 2.86Å; D473-S480 PolarHBondContact O-N 2.91Å
481V90.4Very high86.4Confident17 Ų1753.4 Ų53.410%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-113.5130.8166.7-176.40000107.8F433 I436 E437 L440 V471 V472F433-V481 HydrophobicContact CB-CG1 4.19Å; F433-V481 HydrophobicContact CD1-CG1 4.39Å; I436-V481 HydrophobicContact CB-CG2 4.44Å; I436-V481 HydrophobicContact CG2-CG2 4Å; E437-V481 HydrophobicContact CB-CB 4.17Å; E437-V481 HydrophobicContact CB-CG2 3.85Å; L440-V481 HydrophobicContact CD1-CG2 4.03Å; V471-V481 CarbonylContact O-C 3.53Å; V471-V481 WeakPolarHBondContact O-CA 3.04Å; V472-V481 HydrophobicContact CG1-CG2 4.3Å; V472-V481 HydrophobicContact CG2-CG1 4.39Å; V472-V481 HydrophobicContact CG2-CG2 4.24Å
482T87.6Confident86.5Confident45 Ų4554.5 Ų54.528%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-136.1169176.570.90000110.7W470 V471W470-T482 CarbonylContact C-O 3.52Å; W470-T482 WeakPolarHBondContact CA-O 3.4Å; V471-T482 PolarHBondContact N-O 3.4Å; V471-T482 PolarHBondContact O-N 2.9Å
483N85.4Confident86.5Confident52 Ų5254.6 Ų54.628%0.27833%0.329SS..  trans-117.133.7176.8-68.4103.2000112.1L424 T469 W470 P485L424-N483 HydrophobicContact CD1-CB 3.83Å; L424-N483 WeakPolarHBondContact CD1-ND2 3.32Å; T469-N483 PolarHBondContact O-ND2 3.12Å; W470-N483 PolarHBondContact NE1-ND2 3.45Å; W470-N483 VanDerWaalsContact NE1-ND2 3.13Å; N483-P485 WeakPolarHBondContact O-CD 2.91Å
484D77.3Confident86.7Confident83 Ų8355.5 Ų55.544%0.44434%0.336SS..  trans-90.5103.7-179.2-179.11.4000110.4V471 G486 K487V471-D484 WeakPolarHBondContact CG2-O 3.47Å; D484-G486 PolarHBondContact O-N 2.84Å; D484-G486 WeakPolarHBondContact OD1-CA 3.49Å; D484-G486 PolarHBondContact OD1-N 3.2Å; D484-K487 HydrophobicContact CB-CB 4.2Å; D484-K487 PolarHBondContact O-N 3.47Å
485P68.8Low86.9Confident104 Ų10455.6 Ų55.668%0.67534%0.336SS*.THydrogen-bonded Turntrans-67.4-13.5179.229.6-35.6000113.2N483N483-P485 WeakPolarHBondContact O-CD 2.91Å
486G70.1Confident87.1Confident61 Ų6151.4 Ų51.463%0.62932%0.321SS*.THydrogen-bonded Turntrans-85.8-10.5176.200000114.2D484 T488D484-G486 PolarHBondContact O-N 2.84Å; D484-G486 WeakPolarHBondContact OD1-CA 3.49Å; D484-G486 PolarHBondContact OD1-N 3.2Å; G486-T488 PolarHBondContact O-N 2.87Å
487K78Confident87.5Confident61 Ų6147.4 Ų47.427%0.26530%0.3SS..SBendtrans-73127-179.3-170168.6177.9-178.80110.6V471 D473 D484 A489V471-K487 HydrophobicContact CB-CD 4.49Å; V471-K487 HydrophobicContact CG1-CB 4.24Å; V471-K487 HydrophobicContact CG1-CD 3.84Å; V471-K487 HydrophobicContact CG1-CG 4.06Å; V471-K487 HydrophobicContact CG2-CB 4.33Å; D473-K487 IonicContact OD2-NZ 2.67Å; D473-K487 PolarHBondContact OD2-NZ 3.25Å; D484-K487 HydrophobicContact CB-CB 4.2Å; D484-K487 PolarHBondContact O-N 3.47Å; K487-A489 PolarHBondContact O-N 2.78Å
488T83.4Confident87.6Confident127 Ų12748.8 Ų48.878%0.77929%0.288SS*.  trans-67.3129.5180450000111.1G486G486-T488 PolarHBondContact O-N 2.87Å
489A90.8Very high87.9Confident33 Ų3342.7 Ų42.727%0.27327%0.267SS..  trans-116.9141.7-179.900000111.5V454 A456 K487 C491V454-A489 HydrophobicContact CG1-CB 4.28Å; A456-A489 HydrophobicContact CB-CB 3.55Å; K487-A489 PolarHBondContact O-N 2.78Å; A489-C491 VanDerWaalsContact C-N 3.31Å
490D92.7Very high88.1Confident52 Ų5241.8 Ų41.828%0.27826%0.258SS..SBendtrans-72.4-29.1175.2-60-66.3000110.9G453 V454 K475 N524 M527G453-D490 WeakPolarHBondContact CA-OD2 3.39Å; V454-D490 PolarHBondContact N-OD2 3.18Å; V454-D490 PolarHBondContact O-N 2.96Å; K475-D490 IonicContact NZ-OD1 2.97Å; K475-D490 PolarHBondContact NZ-OD1 2.99Å; K475-D490 IonicContact NZ-OD2 3.34Å; D490-N524 VanDerWaalsContact O-CB 3.32Å; D490-N524 WeakPolarHBondContact O-CB 3.47Å; D490-N524 PolarHBondContact O-N 3.25Å; D490-M527 HydrophobicContact CB-CG 4.32Å
491C94.2Very high88.1Confident0 Ų042.1 Ų42.10%026%0.256CS..EExtended strand (participates in β ladder)trans-143.8133.1178176.50000110.7V454 F455 A456 A489 M527V454-C491 PolarHBondContact O-N 2.94Å; F455-C491 CarbonylContact C-O 3.53Å; F455-C491 VanDerWaalsContact CA-O 3.32Å; F455-C491 WeakPolarHBondContact CA-O 3.33Å; F455-C491 HydrophobicContact CD1-CB 4.01Å; F455-C491 HydrophobicContact CE1-CB 4.28Å; A456-C491 PolarHBondContact N-O 2.83Å; A489-C491 VanDerWaalsContact C-N 3.31Å; C491-M527 HydrophobicContact CB-CB 3.88Å
492T94.1Very high88.1Confident24 Ų2443.9 Ų43.915%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-115.4129.9175.3-570000110.7A456 K458 I521 T522A456-T492 HydrophobicContact CB-CG2 4.11Å; A456-T492 CarbonylContact O-C 3.56Å; A456-T492 VanDerWaalsContact O-CA 3.24Å; A456-T492 WeakPolarHBondContact O-CA 3.46Å; K458-T492 HydrophobicContact CD-CG2 3.94Å; K458-T492 HydrophobicContact CG-CG2 3.95Å; T492-I521 WeakPolarHBondContact O-CA 3.32Å; T492-T522 PolarHBondContact N-O 2.99Å; T492-T522 PolarHBondContact O-N 3.39Å
493L94.3Very high88.1Confident2 Ų241.8 Ų41.81%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-111.5127.2176.3-57.9103.2000109F455 A456 F457 K458 L519 K520 I521 L531F455-L493 HydrophobicContact CB-CD1 4.42Å; F455-L493 HydrophobicContact CD1-CD1 3.92Å; A456-L493 PolarHBondContact O-N 3.34Å; F457-L493 CarbonylContact C-O 3.55Å; F457-L493 WeakPolarHBondContact CA-O 3.49Å; F457-L493 HydrophobicContact CD1-CB 4.18Å; F457-L493 HydrophobicContact CD1-CD1 4.06Å; F457-L493 HydrophobicContact CE1-CD1 3.81Å; F457-L493 HydrophobicContact CZ-CD1 4.09Å; K458-L493 PolarHBondContact N-O 3.45Å; L493-L519 HydrophobicContact CB-CD1 3.97Å; L493-L519 HydrophobicContact CD2-CD1 3.95Å; L493-L519 HydrophobicContact CD2-CD2 4.48Å; L493-L519 HydrophobicContact CG-CD1 4.49Å; L493-K520 CarbonylContact C-O 3.37Å; L493-K520 WeakPolarHBondContact CA-O 3.36Å; L493-I521 HydrophobicContact CD2-CG1 4.34Å; L493-L531 HydrophobicContact CD2-CD2 3.61Å
494S95.4Very high88.3Confident24 Ų2439.3 Ų39.317%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-111.5123.4172-50.80000109.7K458 K520K458-S494 VanDerWaalsContact O-CA 3.28Å; K458-S494 WeakPolarHBondContact O-CA 3.32Å; S494-K520 PolarHBondContact N-O 3.34Å; S494-K520 PolarHBondContact O-N 2.83Å
495I95.8Very high88.5Confident2 Ų237.7 Ų37.71%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-157.3150.8-170.2-176161.5000110.6K458 V459 K460 D499 L500 L503 L519K458-I495 PolarHBondContact O-N 2.93Å; K458-I495 VanDerWaalsContact O-N 3.12Å; V459-I495 CarbonylContact C-O 3.43Å; V459-I495 VanDerWaalsContact CA-O 3.28Å; V459-I495 WeakPolarHBondContact CA-O 3.18Å; K460-I495 PolarHBondContact N-O 3.33Å; I495-D499 HydrophobicContact CD1-CB 3.97Å; I495-D499 HydrophobicContact CG1-CB 3.71Å; I495-L500 HydrophobicContact CD1-CB 4.39Å; I495-L500 HydrophobicContact CG1-CB 4.33Å; I495-L500 HydrophobicContact CG2-CB 3.82Å; I495-L500 HydrophobicContact CG2-CD1 3.98Å; I495-L500 HydrophobicContact CG2-CD2 4.37Å; I495-L500 HydrophobicContact CG2-CG 4.26Å; I495-L503 HydrophobicContact CD1-CB 4.2Å; I495-L503 HydrophobicContact CD1-CD2 3.87Å; I495-L519 HydrophobicContact CB-CD1 4.08Å; I495-L519 HydrophobicContact CD1-CB 4.41Å; I495-L519 HydrophobicContact CD1-CD1 4.21Å
496G95.6Very high89.1Confident10 Ų1035.2 Ų35.210%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-68.9152.2174.300000112.6K460 E498 D499 L500K460-G496 CarbonylContact O-C 3.6Å; K460-G496 WeakPolarHBondContact O-CA 3.5Å; G496-E498 PolarHBondContact O-N 2.7Å; G496-D499 PolarHBondContact O-N 2.88Å; G496-D499 VanDerWaalsContact O-N 3.16Å; G496-L500 PolarHBondContact O-N 2.89Å
497D92.6Very high89.8Confident8 Ų840.3 Ų40.34%0.04323%0.228CC..Hα-helixtrans-55.2-47.1-175-171.833.5000113F427 K428 A429 V459 K460 L501F427-D497 WeakPolarHBondContact CA-OD2 3.35Å; F427-D497 HydrophobicContact CD1-CB 4.28Å; K428-D497 WeakPolarHBondContact CB-OD2 3.28Å; K428-D497 VanDerWaalsContact N-CG 3.27Å; K428-D497 PolarHBondContact N-OD1 3.28Å; K428-D497 PolarHBondContact N-OD2 2.84Å; A429-D497 WeakPolarHBondContact CB-OD1 3.33Å; A429-D497 PolarHBondContact N-OD1 3.15Å; V459-D497 VanDerWaalsContact CG1-CA 3.42Å; V459-D497 HydrophobicContact CG1-CB 3.8Å; K460-D497 PolarHBondContact O-N 3.36Å; D497-L501 PolarHBondContact O-N 3.35Å
498E91.2Very high90.2Very high97 Ų9738.7 Ų38.745%0.45322%0.222SC..Hα-helixtrans-70.7-39.3176.6-174.7167.1161.600113.2K428 G496 L500 L501 H502K428-E498 HydrophobicContact CD-CB 4.16Å; K428-E498 HydrophobicContact CD-CG 4.43Å; K428-E498 IonicContact NZ-OE2 2.76Å; K428-E498 PolarHBondContact NZ-OE2 3.24Å; G496-E498 PolarHBondContact O-N 2.7Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.13Å; E498-L501 PolarHBondContact O-N 2.89Å; E498-H502 PolarHBondContact O-N 2.92Å; E498-H502 VanDerWaalsContact O-N 3.07Å; E498-H502 IonicContact OE1-CE1 2.84Å
499D92.1Very high90.4Very high31 Ų3136.6 Ų36.617%0.16621%0.206CC..Hα-helixtrans-67.1-32.1178.8-78.9-39.4000111.2I495 G496 H502 L503 L508 K518I495-D499 HydrophobicContact CD1-CB 3.97Å; I495-D499 HydrophobicContact CG1-CB 3.71Å; G496-D499 PolarHBondContact O-N 2.88Å; G496-D499 VanDerWaalsContact O-N 3.16Å; D499-H502 PolarHBondContact O-N 2.93Å; D499-L503 VanDerWaalsContact O-CB 3.28Å; D499-L503 WeakPolarHBondContact O-CB 3.35Å; D499-L503 PolarHBondContact O-N 3.45Å; D499-L508 HydrophobicContact CB-CD2 4.02Å; D499-K518 IonicContact OD1-NZ 3.34Å; D499-K518 PolarHBondContact OD1-NZ 3.11Å; D499-K518 IonicContact OD2-NZ 2.83Å; D499-K518 PolarHBondContact OD2-NZ 3.15Å
500L92.8Very high90.2Very high0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-67.3-44.3174.6179.360.5000111.8A429 F433 F457 V459 I495 G496 E498 H502 L503 M504A429-L500 HydrophobicContact CB-CD2 3.49Å; A429-L500 VanDerWaalsContact CB-CD2 3.49Å; A429-L500 HydrophobicContact CB-CG 4.21Å; F433-L500 HydrophobicContact CE2-CD2 3.58Å; F433-L500 HydrophobicContact CZ-CD2 3.67Å; F457-L500 HydrophobicContact CD1-CD1 3.99Å; F457-L500 HydrophobicContact CE1-CD1 4.29Å; V459-L500 HydrophobicContact CG1-CD2 4.42Å; V459-L500 HydrophobicContact CG2-CD2 3.45Å; V459-L500 VanDerWaalsContact CG2-CD2 3.45Å; I495-L500 HydrophobicContact CD1-CB 4.39Å; I495-L500 HydrophobicContact CG1-CB 4.33Å; I495-L500 HydrophobicContact CG2-CB 3.82Å; I495-L500 HydrophobicContact CG2-CD1 3.98Å; I495-L500 HydrophobicContact CG2-CD2 4.37Å; I495-L500 HydrophobicContact CG2-CG 4.26Å; G496-L500 PolarHBondContact O-N 2.89Å; E498-L500 VanDerWaalsContact C-N 3.29Å; E498-L500 PolarHBondContact O-N 3.13Å; L500-H502 VanDerWaalsContact C-N 3.29Å; L500-H502 PolarHBondContact O-N 2.9Å; L500-L503 HydrophobicContact CD1-CD2 4.46Å; L500-L503 WeakPolarHBondContact O-CB 3.32Å; L500-L503 PolarHBondContact O-N 3.12Å; L500-M504 HydrophobicContact CD1-CG 3.73Å; L500-M504 HydrophobicContact CD1-SD 4.49Å; L500-M504 HydrophobicContact CG-CG 4.35Å; L500-M504 WeakPolarHBondContact O-CB 3.49Å; L500-M504 VanDerWaalsContact O-CG 3.31Å; L500-M504 WeakPolarHBondContact O-CG 3.47Å; L500-M504 PolarHBondContact O-N 2.94Å
501L88.6Confident89.9Confident52 Ų5239.7 Ų39.727%0.27222%0.216SC..Hα-helixtrans-57.1-46173.4175.964.1000110.8K428 V432 D497 E498 L503 M504 T505K428-L501 HydrophobicContact CB-CD2 4.31Å; V432-L501 HydrophobicContact CG2-CD1 3.51Å; D497-L501 PolarHBondContact O-N 3.35Å; E498-L501 PolarHBondContact O-N 2.89Å; L501-L503 PolarHBondContact O-N 2.81Å; L501-M504 PolarHBondContact O-N 3Å; L501-T505 HydrophobicContact CD1-CG2 3.95Å; L501-T505 WeakPolarHBondContact O-CB 3.35Å; L501-T505 VanDerWaalsContact O-CG2 3.3Å; L501-T505 WeakPolarHBondContact O-CG2 2.96Å; L501-T505 PolarHBondContact O-N 3.01Å; L501-T505 PolarHBondContact O-OG1 3.2Å
502H89.1Confident89.5Confident54 Ų5442.6 Ų42.625%0.2523%0.233CC..Hα-helixtrans-65.1-38.7177.1-67.8157.8000112.9E498 D499 L500 T505 G506 K507 L508E498-H502 PolarHBondContact O-N 2.92Å; E498-H502 VanDerWaalsContact O-N 3.07Å; E498-H502 IonicContact OE1-CE1 2.84Å; D499-H502 PolarHBondContact O-N 2.93Å; L500-H502 VanDerWaalsContact C-N 3.29Å; L500-H502 PolarHBondContact O-N 2.9Å; H502-T505 PolarHBondContact O-OG1 3.06Å; H502-G506 PolarHBondContact O-N 3.29Å; H502-K507 HydrophobicContact CB-CB 4.05Å; H502-K507 WeakPolarHBondContact O-CA 3.24Å; H502-K507 PolarHBondContact O-N 3.3Å; H502-L508 HydrophobicContact CB-CB 3.7Å; H502-L508 PolarHBondContact O-N 2.93Å
503L89Confident89.3Confident0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-62.6-44.2176.9-173.175000111.2I495 D499 L500 L501 G506 P510 L519 L531 Q535I495-L503 HydrophobicContact CD1-CB 4.2Å; I495-L503 HydrophobicContact CD1-CD2 3.87Å; D499-L503 VanDerWaalsContact O-CB 3.28Å; D499-L503 WeakPolarHBondContact O-CB 3.35Å; D499-L503 PolarHBondContact O-N 3.45Å; L500-L503 HydrophobicContact CD1-CD2 4.46Å; L500-L503 WeakPolarHBondContact O-CB 3.32Å; L500-L503 PolarHBondContact O-N 3.12Å; L501-L503 PolarHBondContact O-N 2.81Å; L503-G506 PolarHBondContact O-N 2.98Å; L503-P510 HydrophobicContact CD1-CB 3.82Å; L503-P510 HydrophobicContact CD1-CG 3.64Å; L503-L519 HydrophobicContact CD2-CD2 4.36Å; L503-L531 HydrophobicContact CD2-CD2 3.99Å; L503-Q535 PolarHBondContact O-NE2 3.15Å
504M87.6Confident89.1Confident1 Ų145.2 Ų45.21%0.00524%0.243CC..Hα-helixtrans-81.4-22.7-173.6-64.1-58.1-77.500113.4V432 I436 L500 L501 G506 L531 L534 Q535 V536V432-M504 HydrophobicContact CG1-CB 3.42Å; V432-M504 VanDerWaalsContact CG1-CB 3.42Å; V432-M504 HydrophobicContact CG1-CE 4.37Å; V432-M504 HydrophobicContact CG1-CG 3.67Å; I436-M504 HydrophobicContact CD1-CE 3.52Å; I436-M504 HydrophobicContact CG1-CE 4.37Å; L500-M504 HydrophobicContact CD1-CG 3.73Å; L500-M504 HydrophobicContact CD1-SD 4.49Å; L500-M504 HydrophobicContact CG-CG 4.35Å; L500-M504 WeakPolarHBondContact O-CB 3.49Å; L500-M504 VanDerWaalsContact O-CG 3.31Å; L500-M504 WeakPolarHBondContact O-CG 3.47Å; L500-M504 PolarHBondContact O-N 2.94Å; L501-M504 PolarHBondContact O-N 3Å; M504-G506 VanDerWaalsContact C-N 3.35Å; M504-L531 HydrophobicContact SD-CD1 4.38Å; M504-L531 HydrophobicContact SD-CG 4.5Å; M504-L534 HydrophobicContact CE-CB 4.3Å; M504-L534 WeakPolarHBondContact CE-O 3.3Å; M504-Q535 HydrophobicContact SD-CG 4.3Å; M504-V536 PolarHBondContact O-N 2.8Å
505T81.8Confident88.8Confident49 Ų4952.4 Ų52.430%0.30127%0.271SS..THydrogen-bonded Turntrans-89.50.9171.556.80000113.4L501 H502 K507L501-T505 HydrophobicContact CD1-CG2 3.95Å; L501-T505 WeakPolarHBondContact O-CB 3.35Å; L501-T505 VanDerWaalsContact O-CG2 3.3Å; L501-T505 WeakPolarHBondContact O-CG2 2.96Å; L501-T505 PolarHBondContact O-N 3.01Å; L501-T505 PolarHBondContact O-OG1 3.2Å; H502-T505 PolarHBondContact O-OG1 3.06Å; T505-K507 VanDerWaalsContact C-N 3.28Å; T505-K507 PolarHBondContact O-N 3.34Å
506G83Confident88.5Confident51 Ų5159.5 Ų59.553%0.52630%0.302SS..THydrogen-bonded Turntrans77.35.2179.600000115.3H502 L503 M504 L508H502-G506 PolarHBondContact O-N 3.29Å; L503-G506 PolarHBondContact O-N 2.98Å; M504-G506 VanDerWaalsContact C-N 3.35Å; G506-L508 VanDerWaalsContact C-N 3.34Å
507K84.9Confident88.3Confident168 Ų16862.1 Ų62.173%0.7333%0.329SS*.SBendtrans-74.1-22.6175.6-67.2179.9178.3178.90113.2H502 T505H502-K507 HydrophobicContact CB-CB 4.05Å; H502-K507 WeakPolarHBondContact O-CA 3.24Å; H502-K507 PolarHBondContact O-N 3.3Å; T505-K507 VanDerWaalsContact C-N 3.28Å; T505-K507 PolarHBondContact O-N 3.34Å
508L85.9Confident88.2Confident28 Ų2866.1 Ų66.115%0.14735%0.346CS..SBendtrans-119.1124.2175.1179.863.1000110.2D499 H502 G506 A513D499-L508 HydrophobicContact CB-CD2 4.02Å; H502-L508 HydrophobicContact CB-CB 3.7Å; H502-L508 PolarHBondContact O-N 2.93Å; G506-L508 VanDerWaalsContact C-N 3.34Å; L508-A513 HydrophobicContact CD1-CB 4.31Å; L508-A513 HydrophobicContact CD2-CB 3.77Å; L508-A513 HydrophobicContact CG-CB 3.95Å
509N87.9Confident88.3Confident82 Ų8261.7 Ų61.744%0.43933%0.325SS..  trans-73130.3176.3-178.4-72.9000110.8Q511 T512 A513N509-Q511 PolarHBondContact O-N 2.94Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.38Å; N509-Q511 PolarHBondContact OD1-N 2.83Å; N509-T512 PolarHBondContact O-N 3.14Å; N509-T512 PolarHBondContact OD1-N 2.87Å; N509-A513 PolarHBondContact O-N 3.25Å
510P85.9Confident88.4Confident28 Ų2866.8 Ų66.818%0.18235%0.346CS..Hα-helixtrans-59.9-38.1-177.8-22.729.5000115.3L503 A513 F514L503-P510 HydrophobicContact CD1-CB 3.82Å; L503-P510 HydrophobicContact CD1-CG 3.64Å; P510-A513 PolarHBondContact O-N 3.44Å; P510-F514 WeakPolarHBondContact O-CB 3.47Å; P510-F514 PolarHBondContact O-N 3.47Å
511Q85.6Confident88.4Confident123 Ų12368.1 Ų68.158%0.57535%0.353SS*.Hα-helixtrans-68.7-43.7178.9-65.1177.9-14.600110.3N509 A513 F514 F515N509-Q511 PolarHBondContact O-N 2.94Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.38Å; N509-Q511 PolarHBondContact OD1-N 2.83Å; Q511-A513 VanDerWaalsContact C-N 3.34Å; Q511-A513 PolarHBondContact O-N 3.36Å; Q511-F514 PolarHBondContact O-N 3.24Å; Q511-F515 VanDerWaalsContact O-CD2 3.22Å; Q511-F515 WeakPolarHBondContact O-CD2 3.36Å; Q511-F515 PolarHBondContact O-N 3.33Å
512T87.4Confident88.6Confident60 Ų6069 Ų6937%0.36836%0.36SS..Hα-helixtrans-62.2-41.3175.5-51.90000111.7N509 F514 K516N509-T512 PolarHBondContact O-N 3.14Å; N509-T512 PolarHBondContact OD1-N 2.87Å; T512-F514 VanDerWaalsContact C-N 3.32Å; T512-F514 PolarHBondContact O-N 3.45Å; T512-K516 HydrophobicContact CG2-CD 3.94Å; T512-K516 HydrophobicContact CG2-CG 4.38Å; T512-K516 VanDerWaalsContact O-CB 3.31Å; T512-K516 WeakPolarHBondContact O-CB 3.29Å; T512-K516 VanDerWaalsContact O-CG 3.31Å; T512-K516 WeakPolarHBondContact O-CG 3.35Å; T512-K516 PolarHBondContact O-N 3.22Å
513A89.2Confident88.7Confident0 Ų069.2 Ų69.20%038%0.377CS..Hα-helixtrans-61.5-41176.200000112L508 N509 P510 Q511 G517 K518 L519L508-A513 HydrophobicContact CD1-CB 4.31Å; L508-A513 HydrophobicContact CD2-CB 3.77Å; L508-A513 HydrophobicContact CG-CB 3.95Å; N509-A513 PolarHBondContact O-N 3.25Å; P510-A513 PolarHBondContact O-N 3.44Å; Q511-A513 VanDerWaalsContact C-N 3.34Å; Q511-A513 PolarHBondContact O-N 3.36Å; A513-G517 PolarHBondContact O-N 2.92Å; A513-K518 HydrophobicContact CB-CB 4.46Å; A513-K518 PolarHBondContact O-N 3.29Å; A513-L519 HydrophobicContact CB-CB 3.76Å; A513-L519 HydrophobicContact CB-CD2 4.48Å; A513-L519 PolarHBondContact O-N 3.16Å
514F89.6Confident88.7Confident82 Ų8273.3 Ų73.336%0.3640%0.399SS..Hα-helixtrans-66.8-50.5178.2-175-95.7000112.2P510 Q511 T512 K516 G517 L519 I521P510-F514 WeakPolarHBondContact O-CB 3.47Å; P510-F514 PolarHBondContact O-N 3.47Å; Q511-F514 PolarHBondContact O-N 3.24Å; T512-F514 VanDerWaalsContact C-N 3.32Å; T512-F514 PolarHBondContact O-N 3.45Å; F514-K516 VanDerWaalsContact C-N 3.28Å; F514-K516 PolarHBondContact O-N 3.29Å; F514-G517 PolarHBondContact O-N 3.12Å; F514-L519 WeakPolarHBondContact CA-O 3.47Å; F514-L519 VanDerWaalsContact CD2-O 3.24Å; F514-L519 WeakPolarHBondContact CD2-O 3.24Å; F514-I521 HydrophobicContact CD2-CD1 3.9Å; F514-I521 HydrophobicContact CD2-CG1 4.14Å; F514-I521 HydrophobicContact CE2-CB 4.24Å; F514-I521 HydrophobicContact CE2-CD1 4.3Å; F514-I521 HydrophobicContact CE2-CG1 4.35Å
515F89.4Confident88.5Confident175 Ų17577.8 Ų77.877%0.76842%0.421SS*.Hα-helixtrans-65.8-28.2179.4-77.7-65.9000113.6Q511 G517Q511-F515 VanDerWaalsContact O-CD2 3.22Å; Q511-F515 WeakPolarHBondContact O-CD2 3.36Å; Q511-F515 PolarHBondContact O-N 3.33Å; F515-G517 VanDerWaalsContact C-N 3.25Å; F515-G517 PolarHBondContact O-N 3.06Å
516K90.1Very high88.5Confident151 Ų15177.6 Ų77.666%0.65743%0.429SS*.THydrogen-bonded Turntrans-82.62.2173.5-69.2-174.6177.9-175.70113.6T512 F514 K518T512-K516 HydrophobicContact CG2-CD 3.94Å; T512-K516 HydrophobicContact CG2-CG 4.38Å; T512-K516 VanDerWaalsContact O-CB 3.31Å; T512-K516 WeakPolarHBondContact O-CB 3.29Å; T512-K516 VanDerWaalsContact O-CG 3.31Å; T512-K516 WeakPolarHBondContact O-CG 3.35Å; T512-K516 PolarHBondContact O-N 3.22Å; F514-K516 VanDerWaalsContact C-N 3.28Å; F514-K516 PolarHBondContact O-N 3.29Å; K516-K518 HydrophobicContact CB-CD 4.5Å; K516-K518 PolarHBondContact O-N 2.84Å
517G90.3Very high88.7Confident64 Ų6475.8 Ų75.866%0.6641%0.407SS*.THydrogen-bonded Turntrans72.35.7-179.900000115.3A513 F514 F515A513-G517 PolarHBondContact O-N 2.92Å; F514-G517 PolarHBondContact O-N 3.12Å; F515-G517 VanDerWaalsContact C-N 3.25Å; F515-G517 PolarHBondContact O-N 3.06Å
518K90.4Very high88.7Confident92 Ų9268.5 Ų68.540%0.438%0.378SS..SBendtrans-75.6-25.5177.2-74.5169.9157.6-86.50112.8D499 A513 K516D499-K518 IonicContact OD1-NZ 3.34Å; D499-K518 PolarHBondContact OD1-NZ 3.11Å; D499-K518 IonicContact OD2-NZ 2.83Å; D499-K518 PolarHBondContact OD2-NZ 3.15Å; A513-K518 HydrophobicContact CB-CB 4.46Å; A513-K518 PolarHBondContact O-N 3.29Å; K516-K518 HydrophobicContact CB-CD 4.5Å; K516-K518 PolarHBondContact O-N 2.84Å
519L93.3Very high88.6Confident4 Ų473.2 Ų73.22%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-121.8120.9176.4174.361.8000109.5L493 I495 L503 A513 F514 I521L493-L519 HydrophobicContact CB-CD1 3.97Å; L493-L519 HydrophobicContact CD2-CD1 3.95Å; L493-L519 HydrophobicContact CD2-CD2 4.48Å; L493-L519 HydrophobicContact CG-CD1 4.49Å; I495-L519 HydrophobicContact CB-CD1 4.08Å; I495-L519 HydrophobicContact CD1-CB 4.41Å; I495-L519 HydrophobicContact CD1-CD1 4.21Å; L503-L519 HydrophobicContact CD2-CD2 4.36Å; A513-L519 HydrophobicContact CB-CB 3.76Å; A513-L519 HydrophobicContact CB-CD2 4.48Å; A513-L519 PolarHBondContact O-N 3.16Å; F514-L519 WeakPolarHBondContact CA-O 3.47Å; F514-L519 VanDerWaalsContact CD2-O 3.24Å; F514-L519 WeakPolarHBondContact CD2-O 3.24Å; L519-I521 HydrophobicContact CD1-CG1 4.33Å; L519-I521 HydrophobicContact CD2-CD1 4.07Å; L519-I521 HydrophobicContact CD2-CG1 4.28Å; L519-I521 HydrophobicContact CG-CD1 4.33Å; L519-I521 HydrophobicContact CG-CG1 4.04Å
520K94.6Very high88.6Confident138 Ų13873.1 Ų73.160%0.640%0.396SS*.EExtended strand (participates in β ladder)trans-108.6132.1170.8-173.2176.7-178.9177.40109.6L493 S494L493-K520 CarbonylContact C-O 3.37Å; L493-K520 WeakPolarHBondContact CA-O 3.36Å; S494-K520 PolarHBondContact N-O 3.34Å; S494-K520 PolarHBondContact O-N 2.83Å
521I93.1Very high88.5Confident29 Ų2972 Ų7215%0.14939%0.389CS..EExtended strand (participates in β ladder)trans-118.1134-179.3-58.7164.4000108.6T492 L493 F514 L519 M525 A528T492-I521 WeakPolarHBondContact O-CA 3.32Å; L493-I521 HydrophobicContact CD2-CG1 4.34Å; F514-I521 HydrophobicContact CD2-CD1 3.9Å; F514-I521 HydrophobicContact CD2-CG1 4.14Å; F514-I521 HydrophobicContact CE2-CB 4.24Å; F514-I521 HydrophobicContact CE2-CD1 4.3Å; F514-I521 HydrophobicContact CE2-CG1 4.35Å; L519-I521 HydrophobicContact CD1-CG1 4.33Å; L519-I521 HydrophobicContact CD2-CD1 4.07Å; L519-I521 HydrophobicContact CD2-CG1 4.28Å; L519-I521 HydrophobicContact CG-CD1 4.33Å; L519-I521 HydrophobicContact CG-CG1 4.04Å; I521-M525 HydrophobicContact CB-SD 4.12Å; I521-M525 HydrophobicContact CG2-CE 4.45Å; I521-M525 HydrophobicContact CG2-SD 3.59Å; I521-M525 VanDerWaalsContact CG2-SD 3.59Å; I521-A528 HydrophobicContact CD1-CB 4.01Å; I521-A528 HydrophobicContact CG2-CB 3.79Å
522T91.9Very high88.3Confident69 Ų6971.9 Ų71.942%0.42339%0.388SS..EExtended strand (participates in β ladder)trans-134.9143.8173.155.50000110.1T492T492-T522 PolarHBondContact N-O 2.99Å; T492-T522 PolarHBondContact O-N 3.39Å
523G91.2Very high88.1Confident60 Ų6071.4 Ų71.462%0.61938%0.384SS*.EExtended strand (participates in β ladder)trans102.5-148-175.500000112.2M525G523-M525 PolarHBondContact O-N 3.3Å; G523-M525 VanDerWaalsContact O-N 3.12Å
524N88.8Confident87.6Confident86 Ų8671.7 Ų71.746%0.4639%0.385SS..  trans-71.7104.4-174.9-172.9-32.2000111.9D490 G526 M527 A528D490-N524 VanDerWaalsContact O-CB 3.32Å; D490-N524 WeakPolarHBondContact O-CB 3.47Å; D490-N524 PolarHBondContact O-N 3.25Å; N524-G526 VanDerWaalsContact C-N 3.27Å; N524-G526 PolarHBondContact O-N 3.45Å; N524-G526 WeakPolarHBondContact OD1-CA 3.33Å; N524-G526 PolarHBondContact OD1-N 2.98Å; N524-M527 HydrophobicContact CB-CB 4.17Å; N524-M527 HydrophobicContact CB-CG 3.97Å; N524-M527 WeakPolarHBondContact O-CB 3.41Å; N524-M527 PolarHBondContact O-N 2.86Å; N524-M527 PolarHBondContact OD1-N 3.43Å; N524-A528 PolarHBondContact O-N 3.07Å
525M83.3Confident87.2Confident95 Ų9569.7 Ų69.747%0.46838%0.377SS..Hα-helixtrans-63.1-28.6179.8-68.7-60.5-66.100113.8I521 G523 M527 A528 M529I521-M525 HydrophobicContact CB-SD 4.12Å; I521-M525 HydrophobicContact CG2-CE 4.45Å; I521-M525 HydrophobicContact CG2-SD 3.59Å; I521-M525 VanDerWaalsContact CG2-SD 3.59Å; G523-M525 PolarHBondContact O-N 3.3Å; G523-M525 VanDerWaalsContact O-N 3.12Å; M525-M527 VanDerWaalsContact C-N 3.28Å; M525-M527 PolarHBondContact O-N 3.25Å; M525-A528 WeakPolarHBondContact O-CB 3.49Å; M525-A528 PolarHBondContact O-N 3.12Å; M525-M529 PolarHBondContact O-N 3.13Å
526G83.8Confident86.2Confident45 Ų4563.5 Ų63.546%0.46435%0.354SS..Hα-helixtrans-66.8-32.1174.300000112.2N524N524-G526 VanDerWaalsContact C-N 3.27Å; N524-G526 PolarHBondContact O-N 3.45Å; N524-G526 WeakPolarHBondContact OD1-CA 3.33Å; N524-G526 PolarHBondContact OD1-N 2.98Å
527M85.9Confident84.6Confident13 Ų1361 Ų616%0.06435%0.351CS..Hα-helixtrans-69.2-38.8173.1-73.5-57.8-51.400111.9V451 F455 D490 C491 N524 M525 M529 K530V451-M527 HydrophobicContact CG1-CE 3.87Å; F455-M527 HydrophobicContact CE1-CB 4.25Å; F455-M527 HydrophobicContact CE1-CE 4.28Å; F455-M527 VanDerWaalsContact CE1-O 3.24Å; F455-M527 WeakPolarHBondContact CE1-O 3.43Å; F455-M527 HydrophobicContact CE2-CE 3.85Å; F455-M527 HydrophobicContact CZ-CB 4.49Å; F455-M527 HydrophobicContact CZ-CE 3.55Å; F455-M527 WeakPolarHBondContact CZ-O 3.16Å; D490-M527 HydrophobicContact CB-CG 4.32Å; C491-M527 HydrophobicContact CB-CB 3.88Å; N524-M527 HydrophobicContact CB-CB 4.17Å; N524-M527 HydrophobicContact CB-CG 3.97Å; N524-M527 WeakPolarHBondContact O-CB 3.41Å; N524-M527 PolarHBondContact O-N 2.86Å; N524-M527 PolarHBondContact OD1-N 3.43Å; M525-M527 VanDerWaalsContact C-N 3.28Å; M525-M527 PolarHBondContact O-N 3.25Å; M527-M529 PolarHBondContact O-N 3.46Å; M527-K530 HydrophobicContact CE-CD 4.39Å; M527-K530 WeakPolarHBondContact O-CA 3.33Å; M527-K530 WeakPolarHBondContact O-CB 3.39Å; M527-K530 PolarHBondContact O-N 3.29Å; M527-K530 HydrophobicContact SD-CD 4.18Å
528A85.1Confident82.2Confident14 Ų1462.7 Ų62.712%0.11635%0.35CS..Hα-helixtrans-58.3-34.7177.800000112.9I521 N524 M525 K530 L531I521-A528 HydrophobicContact CD1-CB 4.01Å; I521-A528 HydrophobicContact CG2-CB 3.79Å; N524-A528 PolarHBondContact O-N 3.07Å; M525-A528 WeakPolarHBondContact O-CB 3.49Å; M525-A528 PolarHBondContact O-N 3.12Å; A528-K530 PolarHBondContact O-N 2.97Å; A528-L531 WeakPolarHBondContact O-CB 3.27Å; A528-L531 PolarHBondContact O-N 3.27Å
529M84.6Confident79.4Confident127 Ų12765.1 Ų65.163%0.62637%0.372SS*.Hα-helixtrans-66.8-25.9174.9-66-62.1-174.300113.1M525 M527 L531M525-M529 PolarHBondContact O-N 3.13Å; M527-M529 PolarHBondContact O-N 3.46Å; M529-L531 VanDerWaalsContact C-N 3.28Å; M529-L531 PolarHBondContact O-N 3.44Å
530K87.3Confident76.3Confident80 Ų8073.6 Ų73.635%0.34841%0.409SS..G310 helixtrans-79.7-8177.4-61.1-172.2-175.7-175.80113.3V451 M527 A528 Q532 N533V451-K530 HydrophobicContact CG1-CB 4.35Å; V451-K530 WeakPolarHBondContact O-CD 3.37Å; V451-K530 PolarHBondContact O-NZ 3.3Å; M527-K530 HydrophobicContact CE-CD 4.39Å; M527-K530 WeakPolarHBondContact O-CA 3.33Å; M527-K530 WeakPolarHBondContact O-CB 3.39Å; M527-K530 PolarHBondContact O-N 3.29Å; M527-K530 HydrophobicContact SD-CD 4.18Å; A528-K530 PolarHBondContact O-N 2.97Å; K530-Q532 PolarHBondContact O-N 2.88Å; K530-Q532 VanDerWaalsContact O-N 3.14Å; K530-N533 WeakPolarHBondContact O-CB 3.11Å; K530-N533 PolarHBondContact O-N 3.09Å; K530-N533 PolarHBondContact O-ND2 3.21Å
531L83.4Confident73.1Confident6 Ų671.7 Ų71.73%0.03142%0.419CS..G310 helixtrans-54.2-32.4178.7-179.269.1000112.8F457 L493 L503 M504 A528 M529 N533 L534F457-L531 HydrophobicContact CE1-CD1 3.69Å; F457-L531 HydrophobicContact CZ-CD1 3.45Å; F457-L531 VanDerWaalsContact CZ-CD1 3.45Å; L493-L531 HydrophobicContact CD2-CD2 3.61Å; L503-L531 HydrophobicContact CD2-CD2 3.99Å; M504-L531 HydrophobicContact SD-CD1 4.38Å; M504-L531 HydrophobicContact SD-CG 4.5Å; A528-L531 WeakPolarHBondContact O-CB 3.27Å; A528-L531 PolarHBondContact O-N 3.27Å; M529-L531 VanDerWaalsContact C-N 3.28Å; M529-L531 PolarHBondContact O-N 3.44Å; L531-N533 PolarHBondContact O-N 3.48Å; L531-N533 VanDerWaalsContact O-N 3.09Å; L531-L534 WeakPolarHBondContact O-CA 3.41Å; L531-L534 WeakPolarHBondContact O-CB 3.44Å; L531-L534 PolarHBondContact O-N 2.82Å
532Q82.4Confident69.9Low119 Ų11981.8 Ų81.856%0.55646%0.455SS*.G310 helixtrans-57.6-25.1177.6-66.1178.2-2.500113.2K530 L534 Q535K530-Q532 PolarHBondContact O-N 2.88Å; K530-Q532 VanDerWaalsContact O-N 3.14Å; Q532-L534 PolarHBondContact O-N 3.44Å; Q532-Q535 PolarHBondContact O-N 3.13Å
533N83.1Confident66.9Low50 Ų5090 Ų9027%0.26750%0.495SS..G310 helixtrans-71.5-11.9175.3-62.6-74.4000113.5K450 V451 K530 L531K450-N533 WeakPolarHBondContact CE-OD1 3.42Å; K450-N533 PolarHBondContact NZ-OD1 2.81Å; V451-N533 HydrophobicContact CG2-CB 3.87Å; K530-N533 WeakPolarHBondContact O-CB 3.11Å; K530-N533 PolarHBondContact O-N 3.09Å; K530-N533 PolarHBondContact O-ND2 3.21Å; L531-N533 PolarHBondContact O-N 3.48Å; L531-N533 VanDerWaalsContact O-N 3.09Å
534L79.1Confident65.6Low7 Ų791.6 Ų91.64%0.03749%0.489CS..G310 helixtrans-107.72.3177.2-57175.8000112F455 V472 V474 M504 L531 Q532F455-L534 HydrophobicContact CD2-CD1 3.81Å; F455-L534 HydrophobicContact CE2-CD1 3.74Å; V472-L534 HydrophobicContact CG1-CD1 4.27Å; V474-L534 HydrophobicContact CG2-CD1 4.04Å; V474-L534 HydrophobicContact CG2-CD2 4.08Å; M504-L534 HydrophobicContact CE-CB 4.3Å; M504-L534 WeakPolarHBondContact CE-O 3.3Å; L531-L534 WeakPolarHBondContact O-CA 3.41Å; L531-L534 WeakPolarHBondContact O-CB 3.44Å; L531-L534 PolarHBondContact O-N 2.82Å; Q532-L534 PolarHBondContact O-N 3.44Å
535Q81.1Confident64.4Low40 Ų4091.8 Ų91.819%0.18749%0.491CS..  trans-71.5132.6175.9-75.3-179.9-33.900110.6L503 M504 Q532 T537L503-Q535 PolarHBondContact O-NE2 3.15Å; M504-Q535 HydrophobicContact SD-CG 4.3Å; Q532-Q535 PolarHBondContact O-N 3.13Å; Q535-T537 PolarHBondContact O-N 3.01Å
536V66.8Low63.4Low45 Ų4591.7 Ų91.727%0.27349%0.492SS..  trans-83.593.6179.7-173.60000107.1E435 M504E435-V536 HydrophobicContact CB-CG2 4.18Å; E435-V536 HydrophobicContact CG-CB 4.45Å; E435-V536 HydrophobicContact CG-CG1 3.62Å; E435-V536 HydrophobicContact CG-CG2 3.92Å; M504-V536 PolarHBondContact O-N 2.8Å
537T58.1Low62.2Low98 Ų9894.4 Ų94.460%0.60149%0.494SS*.  trans-85.5140.3-179-38.80000109.6Q535 V539Q535-T537 PolarHBondContact O-N 3.01Å; T537-V539 PolarHBondContact O-N 2.76Å
538P39.7Very low60.7Low100 Ų10099.5 Ų99.565%0.64952%0.521SS*.  trans-58.7135.2162.1-17.330.5000108.8K540P538-K540 PolarHBondContact O-N 2.91Å
539V30.7Very low59.1Low142 Ų142105.2 Ų105.286%0.86155%0.548SS*.  trans-46.3113.3174.6178.10000108.6T537 A541T537-V539 PolarHBondContact O-N 2.76Å; V539-A541 PolarHBondContact O-N 3.47Å
540K28.9Very low57.2Low183 Ų183103.6 Ų103.680%0.79654%0.542SS*.  trans-61.9107.7171.3-84.9-176.2175.8179.60107.2P538 R542P538-K540 PolarHBondContact O-N 2.91Å; K540-R542 PolarHBondContact O-N 3.22Å
541A27.3Very low54.9Low97 Ų97105.5 Ų105.580%0.80256%0.557SS**  trans-52.7113.8158.500000107.2V539 L543V539-A541 PolarHBondContact O-N 3.47Å; A541-L543 PolarHBondContact O-N 2.95Å
542R26.1Very low52.6Low241 Ų241113.8 Ų113.891%0.90960%0.601SS**  trans-73.6119.7163.9-81-176.5170.4-177.2-3.3106.4K540K540-R542 PolarHBondContact O-N 3.22Å
543L27.5Very low49.9Very low243 Ų243113.3 Ų113.3100%1.27261%0.605SS**  trans-56.80157.4-82.3158.9000110.2A541A541-L543 PolarHBondContact O-N 2.95Å

Retrieved 543 of 543 residues in 298.5 ms (Link to these results)

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