A0A096NWA7_PAPAN 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 (G7MH13), UniProt , Accession A0A096NWA7, Species PAPAN (Papio anubis, Olive baboon), Gene SCP2, Length 547 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
1M43Very low58.7Low249 Ų249136.4 Ų136.4100%1.22778%0.783SS**  098.70-73.4169.8-179.600106.7S3M1-S3 PolarHBondContact O-N 2.95Å
2S41.1Very low61.8Low121 Ų121131.5 Ų131.585%0.84674%0.742SS**PPolyproline II helixtrans-75118.1178.5520000108.9S4S2-S4 PolarHBondContact O-N 3.46Å
3S47.7Very low64.6Low106 Ų106127.5 Ų127.574%0.74171%0.708SS**PPolyproline II helixtrans-58.1132.1167.141.80000109.1M1M1-S3 PolarHBondContact O-N 2.95Å
4S51.6Low67Low71 Ų71118.5 Ų118.550%0.49766%0.658SS.*PPolyproline II helixtrans-61.4133.1177.91780000109.6S2 W6S2-S4 PolarHBondContact O-N 3.46Å; S4-W6 PolarHBondContact O-N 3.49Å
5P59.8Low69.1Low123 Ų123110.6 Ų110.680%0.79961%0.614SS**THydrogen-bonded Turntrans-69.39.2177.725.8-31000114.3
6W56.2Low71Confident216 Ų216103.8 Ų103.882%0.81858%0.576SS**THydrogen-bonded Turntrans-124.421.4-173-64.997.3000113.8S4 P8S4-W6 PolarHBondContact O-N 3.49Å; W6-P8 WeakPolarHBondContact O-CD 3.17Å
7E55.7Low72.6Confident161 Ų16197.7 Ų97.775%0.75254%0.542SS*.  trans-70.1114166.5-80.1-174.4177.900108.8A9E7-A9 PolarHBondContact O-N 3.38Å
8P61.2Low74.1Confident120 Ų12092.3 Ų92.378%0.77951%0.512SS*.PPolyproline II helixtrans-61.6135.6176.425.1-31.2000108.7W6W6-P8 WeakPolarHBondContact O-CD 3.17Å
9A66.8Low75.4Confident82 Ų8287.6 Ų87.668%0.67849%0.487SS*.PPolyproline II helixtrans-52.8141.1174.400000109.8E7 L11E7-A9 PolarHBondContact O-N 3.38Å; A9-L11 PolarHBondContact O-N 3.43Å
10P77.1Confident76.6Confident125 Ų12583.4 Ų83.481%0.81246%0.463SS*.PPolyproline II helixtrans-56.8130.9177.922.2-31.3000109.5
11L85.7Confident77.6Confident126 Ų12679.6 Ų79.666%0.6644%0.442SS*.PPolyproline II helixtrans-63.1141.1-177.5-66.2171.4000110.5A9 Q109A9-L11 PolarHBondContact O-N 3.43Å; L11-Q109 HydrophobicContact CB-CG 3.75Å; L11-Q109 VanDerWaalsContact CB-NE2 3.34Å; L11-Q109 HydrophobicContact CD1-CG 4.47Å; L11-Q109 HydrophobicContact CD2-CG 4.04Å; L11-Q109 HydrophobicContact CG-CG 4.3Å
12R95.4Very high80.3Confident78 Ų7867.7 Ų67.729%0.29438%0.384SS..PPolyproline II helixtrans-65.8141.2-179.4-60.917664.31750.4110.9G111 E114 S238R12-G111 VanDerWaalsContact NH1-CA 3.32Å; R12-E114 IonicContact CZ-OE1 3.28Å; R12-E114 IonicContact CZ-OE2 3.85Å; R12-E114 IonicContact NH1-OE1 2.85Å; R12-E114 PolarHBondContact NH1-OE1 3.44Å; R12-E114 IonicContact NH2-OE1 3.38Å; R12-E114 PolarHBondContact NH2-OE1 2.84Å; R12-E114 IonicContact NH2-OE2 3.3Å; R12-E114 PolarHBondContact NH2-OE2 2.61Å; R12-S238 PolarHBondContact NH2-OG 2.97Å
13R98.1Very high83Confident80 Ų8066.3 Ų66.330%0.30236%0.363SS..PPolyproline II helixtrans-67.2143.8170.2-64.6172.766.7-151.97.8110F15 E239 E253 G406R13-F15 HydrophobicContact CB-CE2 3.78Å; R13-F15 HydrophobicContact CB-CZ 3.72Å; R13-F15 VanDerWaalsContact CZ-CZ 3.47Å; R13-E239 WeakPolarHBondContact CD-OE2 3.45Å; R13-E239 IonicContact CZ-OE2 2.9Å; R13-E239 IonicContact NH1-OE1 2.83Å; R13-E239 PolarHBondContact NH1-OE1 3.09Å; R13-E239 IonicContact NH1-OE2 2.75Å; R13-E239 PolarHBondContact NH1-OE2 3.42Å; R13-E253 WeakPolarHBondContact CG-OE1 3.35Å; R13-E253 IonicContact CZ-OE1 2.68Å; R13-E253 IonicContact CZ-OE2 2.91Å; R13-E253 IonicContact NE-OE1 3.08Å; R13-E253 PolarHBondContact NE-OE1 3.35Å; R13-E253 IonicContact NE-OE2 3.24Å; R13-E253 PolarHBondContact NE-OE2 3.39Å; R13-E253 IonicContact NH2-OE1 2.59Å; R13-E253 IonicContact NH2-OE2 3.85Å; R13-E253 PolarHBondContact NH2-OE2 3.5Å; R13-G406 PolarHBondContact NH2-O 2.95Å; R13-G406 VanDerWaalsContact NH2-O 3.1Å
14V98.8Very high85.4Confident1 Ų161.3 Ų61.31%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-130.1132.8-177.4-174.60000109.4R105 I108 Q109 L236 E253 I254V14-R105 HydrophobicContact CB-CG 4.18Å; V14-R105 HydrophobicContact CG1-CG 4.12Å; V14-R105 HydrophobicContact CG2-CG 4.16Å; V14-I108 HydrophobicContact CB-CG2 4.45Å; V14-I108 HydrophobicContact CG1-CB 4.11Å; V14-I108 HydrophobicContact CG1-CD1 4.13Å; V14-I108 HydrophobicContact CG1-CG2 4.15Å; V14-I108 HydrophobicContact CG2-CB 4.01Å; V14-I108 HydrophobicContact CG2-CG2 3.87Å; V14-Q109 HydrophobicContact CG2-CB 3.91Å; V14-L236 HydrophobicContact CG1-CB 4.35Å; V14-L236 HydrophobicContact CG1-CD2 4.04Å; V14-E253 WeakPolarHBondContact O-CA 3.38Å; V14-I254 PolarHBondContact O-N 2.92Å
15F98.9Very high87.6Confident0 Ų058.7 Ų58.70%031%0.308CS..EExtended strand (participates in β ladder)trans-123.1139-176.8-50.3-91.2000110.4R13 V17 L236 A237 E239 V242 A251 V252 E253 F407R13-F15 HydrophobicContact CB-CE2 3.78Å; R13-F15 HydrophobicContact CB-CZ 3.72Å; R13-F15 VanDerWaalsContact CZ-CZ 3.47Å; F15-V17 HydrophobicContact CB-CG1 4.1Å; F15-L236 CarbonylContact O-C 3.59Å; F15-L236 WeakPolarHBondContact O-CA 3.14Å; F15-A237 PolarHBondContact N-O 2.96Å; F15-A237 PolarHBondContact O-N 2.75Å; F15-E239 HydrophobicContact CE2-CB 3.7Å; F15-E239 HydrophobicContact CE2-CG 4.34Å; F15-E239 HydrophobicContact CZ-CB 4.3Å; F15-V242 HydrophobicContact CB-CG2 4.06Å; F15-V242 HydrophobicContact CD2-CG2 3.81Å; F15-V242 HydrophobicContact CG-CG2 4.03Å; F15-A251 HydrophobicContact CB-CB 3.98Å; F15-A251 HydrophobicContact CD1-CB 3.94Å; F15-A251 HydrophobicContact CG-CB 4.1Å; F15-V252 CarbonylContact C-O 3.58Å; F15-V252 VanDerWaalsContact CA-O 3.27Å; F15-V252 WeakPolarHBondContact CA-O 3.44Å; F15-E253 HydrophobicContact CD1-CB 3.73Å; F15-E253 HydrophobicContact CD1-CG 4.23Å; F15-E253 HydrophobicContact CE1-CB 3.77Å; F15-E253 HydrophobicContact CE1-CG 3.97Å; F15-F407 HydrophobicContact CD1-CE2 4.18Å; F15-F407 HydrophobicContact CE1-CD2 4.49Å; F15-F407 AromaticContact CE1-CE2 3.72Å; F15-F407 HydrophobicContact CE1-CE2 3.72Å; F15-F407 HydrophobicContact CE1-CZ 4.2Å; F15-F407 AromaticContact CZ-CE2 3.95Å; F15-F407 HydrophobicContact CZ-CE2 3.95Å; F15-F407 HydrophobicContact CZ-CZ 4.02Å
16V98.9Very high89.3Confident2 Ų259.8 Ų59.81%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-82.4119.7159.4-174.60000107.2V19 A234 I235 L236 V252 I254 Y403V16-V19 HydrophobicContact CG1-CG1 3.5Å; V16-A234 HydrophobicContact CG1-CB 4.13Å; V16-I235 WeakPolarHBondContact CA-O 3.27Å; V16-L236 HydrophobicContact CG2-CG 4.34Å; V16-V252 HydrophobicContact CB-CB 4.49Å; V16-V252 PolarHBondContact N-O 3.14Å; V16-V252 PolarHBondContact O-N 3.01Å; V16-I254 HydrophobicContact CG2-CD1 4.1Å; V16-I254 HydrophobicContact CG2-CG1 4.26Å; V16-Y403 HydrophobicContact CG2-CE1 4.37Å
17V98.8Very high91.1Very high0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-111.8-14.3-175-65.10000113.6F15 A50 I235 A237 V242 L247 A251F15-V17 HydrophobicContact CB-CG1 4.1Å; V17-A50 HydrophobicContact CG2-CB 4.13Å; V17-A50 WeakPolarHBondContact O-CA 3.41Å; V17-I235 HydrophobicContact CG2-CB 4.06Å; V17-I235 HydrophobicContact CG2-CG2 3.62Å; V17-I235 WeakPolarHBondContact CG2-O 3.34Å; V17-I235 PolarHBondContact N-O 3.42Å; V17-A237 HydrophobicContact CG1-CB 3.81Å; V17-A237 HydrophobicContact CG2-CB 3.84Å; V17-V242 HydrophobicContact CG1-CG2 3.61Å; V17-L247 HydrophobicContact CB-CB 4.47Å; V17-L247 HydrophobicContact CB-CD1 4.03Å; V17-L247 HydrophobicContact CG1-CB 4.28Å; V17-L247 HydrophobicContact CG1-CD1 4.26Å; V17-L247 HydrophobicContact CG2-CD1 4.09Å; V17-A251 HydrophobicContact CG1-CB 4.23Å
18G98.8Very high92.6Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-155.8145.2171.400000111.8D49 A234 I235G18-D49 WeakPolarHBondContact CA-OD2 3.39Å; G18-A234 CarbonylContact O-C 3.51Å; G18-A234 WeakPolarHBondContact O-CA 3.28Å; G18-I235 PolarHBondContact O-N 3.09Å
19V98.9Very high93.7Very high4 Ų440.8 Ų40.82%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-136.2150.3180-65.10000110.9V16 D49 A233 A234 A366 C369 W370V16-V19 HydrophobicContact CG1-CG1 3.5Å; V19-D49 PolarHBondContact N-OD2 3.44Å; V19-A233 WeakPolarHBondContact CA-O 3.46Å; V19-A234 HydrophobicContact CG1-CB 4.31Å; V19-A366 HydrophobicContact CB-CB 3.88Å; V19-A366 HydrophobicContact CG1-CB 4.46Å; V19-A366 HydrophobicContact CG2-CB 4.12Å; V19-C369 HydrophobicContact CG1-CB 3.99Å; V19-C369 HydrophobicContact CG2-CB 4.17Å; V19-W370 HydrophobicContact CG2-CZ2 4.3Å
20G98.8Very high94.4Very high2 Ų240.3 Ų40.32%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-157.4144179.800000111.8A232 A233G20-A232 CarbonylContact O-C 3.38Å; G20-A232 VanDerWaalsContact O-CA 3.28Å; G20-A232 WeakPolarHBondContact O-CA 3.4Å; G20-A233 PolarHBondContact N-O 3.19Å; G20-A233 PolarHBondContact O-N 3.11Å
21M98.9Very high94.3Very high4 Ų440.9 Ų40.92%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-147.4157.7173.767.5-176.5-66.300111.9F24 K45 Y197 A231 A232 A363 W370M21-F24 HydrophobicContact CE-CD1 4.07Å; M21-F24 HydrophobicContact CE-CE1 3.72Å; M21-F24 HydrophobicContact CE-CE2 4.26Å; M21-F24 HydrophobicContact CE-CG 4.5Å; M21-F24 HydrophobicContact CE-CZ 3.84Å; M21-K45 WeakPolarHBondContact O-CD 3.45Å; M21-K45 PolarHBondContact O-NZ 2.8Å; M21-Y197 HydrophobicContact CE-CG 4.43Å; M21-Y197 HydrophobicContact CG-CD1 3.91Å; M21-Y197 HydrophobicContact CG-CE1 4.18Å; M21-Y197 HydrophobicContact CG-CG 4.12Å; M21-Y197 HydrophobicContact SD-CD1 4.5Å; M21-Y197 HydrophobicContact SD-CD2 4.41Å; M21-Y197 HydrophobicContact SD-CG 4.12Å; M21-A231 CarbonylContact C-O 3.48Å; M21-A231 VanDerWaalsContact CA-O 3.3Å; M21-A231 WeakPolarHBondContact CA-O 3.5Å; M21-A231 WeakPolarHBondContact CB-O 3.3Å; M21-A232 HydrophobicContact CB-CB 3.75Å; M21-A363 HydrophobicContact CE-CB 3.67Å; M21-A363 HydrophobicContact SD-CB 4.11Å; M21-W370 HydrophobicContact CG-CH2 3.85Å; M21-W370 HydrophobicContact SD-CH2 3.83Å; M21-W370 HydrophobicContact SD-CZ3 4.04Å
22T98.6Very high93.8Very high0 Ų040.2 Ų40.20%021%0.211CC..PPolyproline II helixtrans-78.8165.5166.970.30000109.9L38 E41 A42 G230 A231T22-L38 HydrophobicContact CG2-CB 4.36Å; T22-L38 HydrophobicContact CG2-CD2 4.38Å; T22-L38 WeakPolarHBondContact CG2-O 3.28Å; T22-E41 HydrophobicContact CG2-CB 4.04Å; T22-E41 HydrophobicContact CG2-CG 4.18Å; T22-A42 HydrophobicContact CG2-CB 4.43Å; T22-G230 WeakPolarHBondContact OG1-CA 3.4Å; T22-A231 HydrophobicContact CG2-CB 4.12Å; T22-A231 PolarHBondContact N-O 2.7Å; T22-A231 PolarHBondContact OG1-N 3.16Å; T22-A231 PolarHBondContact OG1-O 2.98Å
23K98.1Very high93.5Very high92 Ų9239.5 Ų39.540%0.421%0.208SC..PPolyproline II helixtrans-61.7139.1157-175172.1-175.51750108.1V25 S198K23-V25 HydrophobicContact CB-CG1 4.33Å; K23-V25 HydrophobicContact CD-CG1 4.32Å; K23-V25 HydrophobicContact CG-CG1 4.03Å; K23-S198 VanDerWaalsContact CE-O 3.31Å; K23-S198 WeakPolarHBondContact CE-O 3.4Å
24F98.4Very high93.4Very high1 Ų138.7 Ų38.70%0.00421%0.21CC..PPolyproline II helixtrans-84.3127.9169.6-72.70.8000108.3M21 Y197 Q199 D229 K353 P356 A359 A363M21-F24 HydrophobicContact CE-CD1 4.07Å; M21-F24 HydrophobicContact CE-CE1 3.72Å; M21-F24 HydrophobicContact CE-CE2 4.26Å; M21-F24 HydrophobicContact CE-CG 4.5Å; M21-F24 HydrophobicContact CE-CZ 3.84Å; F24-Y197 PolarHBondContact N-O 2.81Å; F24-Q199 VanDerWaalsContact O-CA 3.24Å; F24-Q199 WeakPolarHBondContact O-CA 3.42Å; F24-Q199 WeakPolarHBondContact O-CB 3.41Å; F24-Q199 PolarHBondContact O-N 2.83Å; F24-D229 WeakPolarHBondContact CA-O 3.4Å; F24-K353 WeakPolarHBondContact CB-O 3.49Å; F24-K353 HydrophobicContact CD2-CB 4.35Å; F24-P356 HydrophobicContact CD1-CG 3.75Å; F24-P356 HydrophobicContact CD2-CG 3.55Å; F24-P356 HydrophobicContact CE1-CG 3.52Å; F24-P356 HydrophobicContact CE2-CG 3.31Å; F24-P356 HydrophobicContact CG-CG 3.76Å; F24-P356 HydrophobicContact CZ-CG 3.28Å; F24-A359 HydrophobicContact CE1-CB 4.2Å; F24-A359 HydrophobicContact CZ-CB 3.98Å; F24-A363 HydrophobicContact CE2-CB 4.01Å; F24-A363 HydrophobicContact CZ-CB 3.59Å
25V96.9Very high93.3Very high15 Ų1541.1 Ų41.19%0.09122%0.22CC..BIsolated β-bridgetrans-128.2153.8-170.9-62.40000110.6K23 Q199 S228 D229K23-V25 HydrophobicContact CB-CG1 4.33Å; K23-V25 HydrophobicContact CD-CG1 4.32Å; K23-V25 HydrophobicContact CG-CG1 4.03Å; V25-Q199 PolarHBondContact O-OE1 3.3Å; V25-S228 CarbonylContact O-C 3.6Å; V25-S228 VanDerWaalsContact O-CA 3.26Å; V25-S228 WeakPolarHBondContact O-CA 3.22Å; V25-D229 HydrophobicContact CG2-CB 4.11Å; V25-D229 PolarHBondContact N-O 3.34Å; V25-D229 PolarHBondContact O-N 3.3Å
26R95.8Very high93.3Very high147 Ų14741.8 Ų41.856%0.55522%0.224SC*.  trans-60.5137.7175.2-177.6-179.5-179.6-175.72109.2G28 A29 Q199R26-G28 PolarHBondContact O-N 3.32Å; R26-A29 HydrophobicContact CB-CB 4.43Å; R26-A29 WeakPolarHBondContact O-CB 3.47Å; R26-A29 PolarHBondContact O-N 2.85Å; R26-Q199 VanDerWaalsContact N-OE1 3.15Å
27P94.1Very high93.2Very high3 Ų345.7 Ų45.72%0.01925%0.245CC..THydrogen-bonded Turntrans-55.1130.2-179.8-29.636.7000112A29 M124 K126 T227 D229P27-A29 VanDerWaalsContact C-N 3.33Å; P27-A29 PolarHBondContact O-N 3.47Å; P27-M124 HydrophobicContact CG-CB 4.02Å; P27-K126 HydrophobicContact CB-CG 4.18Å; P27-K126 WeakPolarHBondContact O-CE 3.44Å; P27-K126 WeakPolarHBondContact O-CG 3.25Å; P27-T227 WeakPolarHBondContact CD-O 3.46Å; P27-D229 WeakPolarHBondContact CA-OD2 3.3Å
28G87.9Confident93.2Very high25 Ų2546 Ų4626%0.25825%0.246SC..THydrogen-bonded Turntrans71.117.8-176.800000115.9R26 N31R26-G28 PolarHBondContact O-N 3.32Å; G28-N31 WeakPolarHBondContact CA-OD1 3.33Å; G28-N31 PolarHBondContact O-ND2 3.34Å; G28-N31 PolarHBondContact O-OD1 3.43Å; G28-N31 VanDerWaalsContact O-OD1 3.12Å
29A84.1Confident93.2Very high70 Ų7046 Ų4658%0.57925%0.247SC*.SBendtrans-74.3-35.9166.500000111.8R26 P27R26-A29 HydrophobicContact CB-CB 4.43Å; R26-A29 WeakPolarHBondContact O-CB 3.47Å; R26-A29 PolarHBondContact O-N 2.85Å; P27-A29 VanDerWaalsContact C-N 3.33Å; P27-A29 PolarHBondContact O-N 3.47Å
30E80.7Confident93.2Very high72 Ų7246 Ų4634%0.33625%0.248SC..SBendtrans-113.963.9178.5-65.7-174.9-168.700110.6S32 R33E30-S32 PolarHBondContact O-N 2.86Å; E30-R33 PolarHBondContact O-N 3.45Å; E30-R33 WeakPolarHBondContact OE2-CD 3.38Å; E30-R33 IonicContact OE2-CZ 3.4Å; E30-R33 IonicContact OE2-NE 2.81Å; E30-R33 IonicContact OE2-NH1 3.66Å; E30-R33 PolarHBondContact OE2-NH1 2.99Å
31N75.6Confident93.2Very high136 Ų13648.3 Ų48.373%0.72726%0.258SS*.THydrogen-bonded Turntrans-60.2-16.1-174.2-69.2-40000115.1G28 R33G28-N31 WeakPolarHBondContact CA-OD1 3.33Å; G28-N31 PolarHBondContact O-ND2 3.34Å; G28-N31 PolarHBondContact O-OD1 3.43Å; G28-N31 VanDerWaalsContact O-OD1 3.12Å; N31-R33 VanDerWaalsContact C-N 3.29Å
32S74.8Confident93.2Very high113 Ų11348.1 Ų48.179%0.7926%0.257SS*.THydrogen-bonded Turntrans-77.5-12.9176.453.30000113.8E30E30-S32 PolarHBondContact O-N 2.86Å
33R89.3Confident93.2Very high62 Ų6248.1 Ų48.123%0.23426%0.257CS..  trans-110.5145.6-177.1-63.6177.568.3-175.16.7111.4E30 N31 D37 E41E30-R33 PolarHBondContact O-N 3.45Å; E30-R33 WeakPolarHBondContact OE2-CD 3.38Å; E30-R33 IonicContact OE2-CZ 3.4Å; E30-R33 IonicContact OE2-NE 2.81Å; E30-R33 IonicContact OE2-NH1 3.66Å; E30-R33 PolarHBondContact OE2-NH1 2.99Å; N31-R33 VanDerWaalsContact C-N 3.29Å; R33-D37 HydrophobicContact CB-CB 4.33Å; R33-D37 PolarHBondContact NH2-O 3.25Å; R33-E41 IonicContact CZ-OE2 2.74Å; R33-E41 IonicContact NH1-OE2 3.73Å; R33-E41 PolarHBondContact NH1-OE2 3.35Å; R33-E41 IonicContact NH2-OE2 3.7Å; R33-E41 PolarHBondContact NH2-OE2 2.79Å
34D95.8Very high93.2Very high64 Ų6448.8 Ų48.834%0.34226%0.261SS..  trans-123.3174.2174.1-148.6-18.3000111.9P36 D37 L38 K123D34-P36 VanDerWaalsContact C-N 3.26Å; D34-P36 VanDerWaalsContact O-N 3.13Å; D34-D37 PolarHBondContact N-OD2 2.5Å; D34-D37 WeakPolarHBondContact O-CB 3.4Å; D34-D37 PolarHBondContact O-N 3.26Å; D34-L38 PolarHBondContact O-N 2.77Å; D34-L38 VanDerWaalsContact O-N 3.12Å; D34-K123 WeakPolarHBondContact OD1-CD 3.37Å; D34-K123 WeakPolarHBondContact OD1-CE 3.36Å; D34-K123 IonicContact OD1-NZ 3.5Å; D34-K123 PolarHBondContact OD1-NZ 2.87Å; D34-K123 IonicContact OD2-NZ 2.6Å; D34-K123 PolarHBondContact OD2-NZ 3.23Å
35Y97.5Very high93.2Very high52 Ų5252 Ų5220%0.20428%0.275CS..Hα-helixtrans-51.4-34.4-177.274.6-94.6000114.3D37 L38 A39 C71 R74 A75 F121Y35-D37 VanDerWaalsContact C-N 3.34Å; Y35-D37 PolarHBondContact O-N 2.73Å; Y35-L38 PolarHBondContact O-N 3.22Å; Y35-A39 WeakPolarHBondContact O-CB 3.45Å; Y35-A39 PolarHBondContact O-N 3.07Å; Y35-C71 HydrophobicContact CE2-CB 3.91Å; Y35-C71 WeakPolarHBondContact CE2-O 3.4Å; Y35-R74 HydrophobicContact CE2-CB 4.39Å; Y35-R74 HydrophobicContact CE2-CG 4.23Å; Y35-R74 WeakPolarHBondContact OH-CG 3.27Å; Y35-A75 HydrophobicContact CD2-CB 4.17Å; Y35-A75 HydrophobicContact CE2-CB 4.25Å; Y35-F121 HydrophobicContact CD2-CD2 4.19Å; Y35-F121 AromaticContact CD2-CE2 3.57Å; Y35-F121 HydrophobicContact CD2-CE2 3.57Å; Y35-F121 AromaticContact CD2-CZ 3.78Å; Y35-F121 HydrophobicContact CD2-CZ 3.78Å; Y35-F121 HydrophobicContact CE2-CE2 4.41Å; Y35-F121 HydrophobicContact CE2-CZ 4.34Å; Y35-F121 HydrophobicContact CG-CD2 4.32Å; Y35-F121 AromaticContact CG-CE2 3.97Å; Y35-F121 HydrophobicContact CG-CE2 3.97Å
36P98.4Very high93.3Very high14 Ų1451.3 Ų51.39%0.09127%0.271CS..Hα-helixtrans-66.4-33.9174.8-20.335.5000113.2D34 G40D34-P36 VanDerWaalsContact C-N 3.26Å; D34-P36 VanDerWaalsContact O-N 3.13Å; P36-G40 PolarHBondContact O-N 3.43Å
37D97.8Very high93.4Very high83 Ų8344.9 Ų44.944%0.44425%0.248SC..Hα-helixtrans-74.2-38.7179.3-53.6-47.7000110.9R33 D34 Y35 E41R33-D37 HydrophobicContact CB-CB 4.33Å; R33-D37 PolarHBondContact NH2-O 3.25Å; D34-D37 PolarHBondContact N-OD2 2.5Å; D34-D37 WeakPolarHBondContact O-CB 3.4Å; D34-D37 PolarHBondContact O-N 3.26Å; Y35-D37 VanDerWaalsContact C-N 3.34Å; Y35-D37 PolarHBondContact O-N 2.73Å; D37-E41 PolarHBondContact O-N 3.39Å
38L98.1Very high93.7Very high7 Ų748.1 Ų48.14%0.03727%0.274CS..Hα-helixtrans-63.2-51.1174.5-60.5177000110.1T22 D34 Y35 G40 E41 A42 D229 A231T22-L38 HydrophobicContact CG2-CB 4.36Å; T22-L38 HydrophobicContact CG2-CD2 4.38Å; T22-L38 WeakPolarHBondContact CG2-O 3.28Å; D34-L38 PolarHBondContact O-N 2.77Å; D34-L38 VanDerWaalsContact O-N 3.12Å; Y35-L38 PolarHBondContact O-N 3.22Å; L38-G40 VanDerWaalsContact C-N 3.34Å; L38-G40 PolarHBondContact O-N 3.5Å; L38-E41 PolarHBondContact O-N 3.11Å; L38-A42 PolarHBondContact O-N 3.15Å; L38-A42 VanDerWaalsContact O-N 3.07Å; L38-D229 HydrophobicContact CD1-CB 4.25Å; L38-A231 VanDerWaalsContact C-CB 3.45Å; L38-A231 HydrophobicContact CB-CB 3.9Å; L38-A231 WeakPolarHBondContact O-CB 3.48Å
39A98.6Very high94.1Very high1 Ų148.1 Ų48.11%0.00827%0.268CS..Hα-helixtrans-61-41.5177.900000112.7Y35 A42 G43 A75 L119 F121Y35-A39 WeakPolarHBondContact O-CB 3.45Å; Y35-A39 PolarHBondContact O-N 3.07Å; A39-A42 PolarHBondContact O-N 3.14Å; A39-G43 PolarHBondContact O-N 2.95Å; A39-A75 HydrophobicContact CB-CB 3.67Å; A39-L119 HydrophobicContact CB-CD1 4.27Å; A39-L119 HydrophobicContact CB-CD2 4.11Å; A39-F121 HydrophobicContact CB-CD1 3.8Å; A39-F121 HydrophobicContact CB-CE1 4.36Å; A39-F121 HydrophobicContact CB-CG 4.36Å
40G98.5Very high94.7Very high4 Ų444.8 Ų44.84%0.04124%0.241CC..Hα-helixtrans-58.7-48.8175.100000112.2P36 L38 G43 Q44P36-G40 PolarHBondContact O-N 3.43Å; L38-G40 VanDerWaalsContact C-N 3.34Å; L38-G40 PolarHBondContact O-N 3.5Å; G40-G43 PolarHBondContact O-N 3.26Å; G40-Q44 VanDerWaalsContact O-CB 3.26Å; G40-Q44 WeakPolarHBondContact O-CB 3.44Å; G40-Q44 WeakPolarHBondContact O-CG 3.45Å; G40-Q44 PolarHBondContact O-N 3.4Å
41E98.6Very high95.5Very high49 Ų4948.2 Ų48.223%0.22926%0.257CS..Hα-helixtrans-60-49.2177-178.2-171.1143.100111.7T22 R33 D37 L38 Q44 K45T22-E41 HydrophobicContact CG2-CB 4.04Å; T22-E41 HydrophobicContact CG2-CG 4.18Å; R33-E41 IonicContact CZ-OE2 2.74Å; R33-E41 IonicContact NH1-OE2 3.73Å; R33-E41 PolarHBondContact NH1-OE2 3.35Å; R33-E41 IonicContact NH2-OE2 3.7Å; R33-E41 PolarHBondContact NH2-OE2 2.79Å; D37-E41 PolarHBondContact O-N 3.39Å; L38-E41 PolarHBondContact O-N 3.11Å; E41-Q44 PolarHBondContact O-N 3.09Å; E41-K45 HydrophobicContact CG-CD 4.17Å; E41-K45 WeakPolarHBondContact O-CB 3.16Å; E41-K45 VanDerWaalsContact O-CG 3.3Å; E41-K45 WeakPolarHBondContact O-CG 3.29Å; E41-K45 PolarHBondContact O-N 3.1Å; E41-K45 VanDerWaalsContact OE1-CE 3.29Å; E41-K45 WeakPolarHBondContact OE1-CE 3.43Å; E41-K45 IonicContact OE1-NZ 3.18Å; E41-K45 PolarHBondContact OE1-NZ 3.4Å
42A98.8Very high96.4Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-62.9-46.1-179.200000112T22 L38 A39 K45 A46 L119 A231 A233T22-A42 HydrophobicContact CG2-CB 4.43Å; L38-A42 PolarHBondContact O-N 3.15Å; L38-A42 VanDerWaalsContact O-N 3.07Å; A39-A42 PolarHBondContact O-N 3.14Å; A42-K45 PolarHBondContact O-N 3.48Å; A42-A46 PolarHBondContact O-N 3.39Å; A42-L119 HydrophobicContact CB-CD1 4.46Å; A42-A231 HydrophobicContact CB-CB 3.73Å; A42-A233 HydrophobicContact CB-CB 4.31Å
43G98.8Very high97.5Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-63.4-44.5178.100000112.7A39 G40 A46 L47A39-G43 PolarHBondContact O-N 2.95Å; G40-G43 PolarHBondContact O-N 3.26Å; G43-A46 PolarHBondContact O-N 3.33Å; G43-L47 WeakPolarHBondContact O-CG 3.27Å; G43-L47 PolarHBondContact O-N 2.96Å
44Q98.8Very high97.9Very high106 Ų10638.2 Ų38.250%0.49520%0.202SC..Hα-helixtrans-63.4-41.9176.5-73.4172.3-2.600111.7G40 E41 L47 A48 S79 L80G40-Q44 VanDerWaalsContact O-CB 3.26Å; G40-Q44 WeakPolarHBondContact O-CB 3.44Å; G40-Q44 WeakPolarHBondContact O-CG 3.45Å; G40-Q44 PolarHBondContact O-N 3.4Å; E41-Q44 PolarHBondContact O-N 3.09Å; Q44-L47 PolarHBondContact O-N 2.84Å; Q44-A48 WeakPolarHBondContact O-CB 3.28Å; Q44-A48 PolarHBondContact O-N 3.28Å; Q44-S79 PolarHBondContact NE2-O 3.37Å; Q44-L80 HydrophobicContact CG-CD2 3.71Å
45K98.8Very high98Very high70 Ų7039.6 Ų39.630%0.30422%0.217SC..Hα-helixtrans-61.3-43.1174.5-76.5176.9178.4179.20112.1M21 E41 A42 A48 D49M21-K45 WeakPolarHBondContact O-CD 3.45Å; M21-K45 PolarHBondContact O-NZ 2.8Å; E41-K45 HydrophobicContact CG-CD 4.17Å; E41-K45 WeakPolarHBondContact O-CB 3.16Å; E41-K45 VanDerWaalsContact O-CG 3.3Å; E41-K45 WeakPolarHBondContact O-CG 3.29Å; E41-K45 PolarHBondContact O-N 3.1Å; E41-K45 VanDerWaalsContact OE1-CE 3.29Å; E41-K45 WeakPolarHBondContact OE1-CE 3.43Å; E41-K45 IonicContact OE1-NZ 3.18Å; E41-K45 PolarHBondContact OE1-NZ 3.4Å; A42-K45 PolarHBondContact O-N 3.48Å; K45-A48 PolarHBondContact O-N 3Å; K45-D49 WeakPolarHBondContact O-CB 3.32Å; K45-D49 PolarHBondContact O-N 3.26Å
46A98.8Very high98.1Very high0 Ų037.7 Ų37.70%021%0.211CC..Hα-helixtrans-66.3-42.2179.100000112.4A42 G43 D49 A50 A233 I235A42-A46 PolarHBondContact O-N 3.39Å; G43-A46 PolarHBondContact O-N 3.33Å; A46-D49 PolarHBondContact O-N 2.8Å; A46-A50 WeakPolarHBondContact O-CB 3.37Å; A46-A50 PolarHBondContact O-N 3.18Å; A46-A233 HydrophobicContact CB-CB 3.8Å; A46-I235 HydrophobicContact CB-CG1 4.14Å
47L98.6Very high98.1Very high12 Ų1237.1 Ų37.16%0.06321%0.208CC..Hα-helixtrans-65.1-41.7174.7-71.4167000112.1G43 Q44 A50 Q51 I52 Y54 V57 L80 I235G43-L47 WeakPolarHBondContact O-CG 3.27Å; G43-L47 PolarHBondContact O-N 2.96Å; Q44-L47 PolarHBondContact O-N 2.84Å; L47-A50 CarbonylContact O-C 3.52Å; L47-A50 PolarHBondContact O-N 3.05Å; L47-Q51 PolarHBondContact O-N 3.05Å; L47-I52 HydrophobicContact CD2-CD1 4.34Å; L47-I52 HydrophobicContact CD2-CG1 3.98Å; L47-I52 PolarHBondContact O-N 3.35Å; L47-I52 VanDerWaalsContact O-N 3.17Å; L47-Y54 HydrophobicContact CD1-CD2 4.12Å; L47-Y54 HydrophobicContact CD1-CG 4.42Å; L47-V57 HydrophobicContact CD2-CG2 3.97Å; L47-L80 HydrophobicContact CD1-CD2 4.17Å; L47-I235 HydrophobicContact CD2-CD1 3.67Å; L47-I235 HydrophobicContact CD2-CG1 4.24Å; L47-I235 HydrophobicContact CG-CD1 4.13Å
48A98.5Very high98.1Very high70 Ų7036.5 Ų36.558%0.57921%0.205SC*.Hα-helixtrans-65.2-40.9176.500000111.8Q44 K45 Q51Q44-A48 WeakPolarHBondContact O-CB 3.28Å; Q44-A48 PolarHBondContact O-N 3.28Å; K45-A48 PolarHBondContact O-N 3Å; A48-Q51 PolarHBondContact O-N 3.3Å; A48-Q51 VanDerWaalsContact O-N 3.14Å
49D98.3Very high98.1Very high25 Ų2537.1 Ų37.113%0.13421%0.207CC..Hα-helixtrans-65-41.3174-176.538.3000111.5G18 V19 K45 A46 Q51 K250 R373G18-D49 WeakPolarHBondContact CA-OD2 3.39Å; V19-D49 PolarHBondContact N-OD2 3.44Å; K45-D49 WeakPolarHBondContact O-CB 3.32Å; K45-D49 PolarHBondContact O-N 3.26Å; A46-D49 PolarHBondContact O-N 2.8Å; D49-Q51 PolarHBondContact O-N 3.38Å; D49-K250 WeakPolarHBondContact O-CD 3.13Å; D49-K250 PolarHBondContact O-NZ 3.17Å; D49-K250 IonicContact OD1-NZ 2.9Å; D49-K250 PolarHBondContact OD1-NZ 2.97Å; D49-R373 IonicContact OD1-CZ 3.32Å; D49-R373 IonicContact OD1-NH1 3.39Å; D49-R373 PolarHBondContact OD1-NH1 2.89Å; D49-R373 IonicContact OD1-NH2 3.45Å; D49-R373 PolarHBondContact OD1-NH2 3.06Å; D49-R373 IonicContact OD2-CZ 3.94Å; D49-R373 IonicContact OD2-NH1 2.65Å; D49-R373 PolarHBondContact OD2-NH1 3.4Å; D49-R373 IonicContact OD2-NH2 2.7Å
50A96.8Very high98.2Very high0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-69.6-13.3172.800000113.9V17 A46 L47 I52 I235 L247V17-A50 HydrophobicContact CG2-CB 4.13Å; V17-A50 WeakPolarHBondContact O-CA 3.41Å; A46-A50 WeakPolarHBondContact O-CB 3.37Å; A46-A50 PolarHBondContact O-N 3.18Å; L47-A50 CarbonylContact O-C 3.52Å; L47-A50 PolarHBondContact O-N 3.05Å; A50-I52 VanDerWaalsContact C-N 3.26Å; A50-I52 HydrophobicContact CB-CD1 4.35Å; A50-I52 HydrophobicContact CB-CG1 3.91Å; A50-I52 PolarHBondContact O-N 3.32Å; A50-I235 HydrophobicContact CB-CB 4.08Å; A50-I235 HydrophobicContact CB-CG1 4.04Å; A50-I235 HydrophobicContact CB-CG2 4.18Å; A50-L247 VanDerWaalsContact O-CD2 3.24Å; A50-L247 WeakPolarHBondContact O-CD2 3.38Å
51Q96.8Very high98.2Very high145 Ų14536.9 Ų36.968%0.67821%0.205SC*.THydrogen-bonded Turntrans55.437.2-175-59.3179.1-31.300113.6L47 A48 D49L47-Q51 PolarHBondContact O-N 3.05Å; A48-Q51 PolarHBondContact O-N 3.3Å; A48-Q51 VanDerWaalsContact O-N 3.14Å; D49-Q51 PolarHBondContact O-N 3.38Å
52I95.3Very high98.2Very high12 Ų1234.6 Ų34.66%0.06219%0.194CC..  trans-124.7150.5177.166.2172.4000111.8L47 A50 A56 C115 I235 F241 Y245 L247L47-I52 HydrophobicContact CD2-CD1 4.34Å; L47-I52 HydrophobicContact CD2-CG1 3.98Å; L47-I52 PolarHBondContact O-N 3.35Å; L47-I52 VanDerWaalsContact O-N 3.17Å; A50-I52 VanDerWaalsContact C-N 3.26Å; A50-I52 HydrophobicContact CB-CD1 4.35Å; A50-I52 HydrophobicContact CB-CG1 3.91Å; A50-I52 PolarHBondContact O-N 3.32Å; I52-A56 HydrophobicContact CB-CB 4.41Å; I52-A56 HydrophobicContact CD1-CB 4.44Å; I52-C115 VanDerWaalsContact CD1-SG 3.56Å; I52-I235 HydrophobicContact CD1-CG2 3.71Å; I52-F241 HydrophobicContact CD1-CE1 4.24Å; I52-F241 HydrophobicContact CD1-CZ 4.1Å; I52-F241 HydrophobicContact CG2-CE1 4.14Å; I52-F241 HydrophobicContact CG2-CZ 4.29Å; I52-Y245 HydrophobicContact CG2-CD1 3.88Å; I52-Y245 HydrophobicContact CG2-CE1 4.24Å; I52-Y245 HydrophobicContact CG2-CG 4.34Å; I52-L247 HydrophobicContact CG2-CD1 4.33Å
53P97.2Very high98.2Very high72 Ų7234.6 Ų34.647%0.46819%0.194SC..  trans-7515617033.1-35.6000111S55 A56P53-S55 WeakPolarHBondContact CG-OG 3.24Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 VanDerWaalsContact O-N 3.17Å; P53-A56 HydrophobicContact CG-CB 4.24Å; P53-A56 WeakPolarHBondContact O-CB 3.32Å; P53-A56 PolarHBondContact O-N 2.79Å
54Y98.3Very high98.2Very high17 Ų1735.3 Ų35.37%0.06720%0.197CC..G310 helixtrans-59.2-27.2173.9-178-116.8000112.9L47 A56 V57 I76 L80 G81 T83 I85 L117L47-Y54 HydrophobicContact CD1-CD2 4.12Å; L47-Y54 HydrophobicContact CD1-CG 4.42Å; Y54-A56 PolarHBondContact O-N 2.9Å; Y54-A56 VanDerWaalsContact O-N 3.14Å; Y54-V57 HydrophobicContact CD2-CB 4.27Å; Y54-V57 HydrophobicContact CD2-CG2 4.04Å; Y54-V57 HydrophobicContact CE2-CB 4.28Å; Y54-V57 HydrophobicContact CE2-CG1 4.44Å; Y54-V57 HydrophobicContact CE2-CG2 4.42Å; Y54-V57 WeakPolarHBondContact O-CB 3.24Å; Y54-V57 PolarHBondContact O-N 3.01Å; Y54-I76 HydrophobicContact CE1-CG2 4.16Å; Y54-I76 HydrophobicContact CE2-CG2 4.39Å; Y54-I76 WeakPolarHBondContact OH-CG2 3.23Å; Y54-L80 HydrophobicContact CD1-CB 4Å; Y54-L80 VanDerWaalsContact CD1-O 3.28Å; Y54-L80 WeakPolarHBondContact CD1-O 3.34Å; Y54-L80 HydrophobicContact CD2-CB 3.9Å; Y54-L80 HydrophobicContact CD2-CD1 4.23Å; Y54-L80 HydrophobicContact CE1-CB 4.22Å; Y54-L80 HydrophobicContact CE2-CB 4.14Å; Y54-L80 HydrophobicContact CE2-CD1 4.17Å; Y54-L80 HydrophobicContact CG-CB 3.83Å; Y54-G81 WeakPolarHBondContact CE1-O 3.22Å; Y54-T83 HydrophobicContact CD1-CG2 3.82Å; Y54-T83 HydrophobicContact CE1-CG2 3.84Å; Y54-I85 HydrophobicContact CE2-CD1 4.29Å; Y54-I85 VanDerWaalsContact OH-CD1 3.29Å; Y54-I85 WeakPolarHBondContact OH-CD1 3.3Å; Y54-L117 HydrophobicContact CE2-CD2 4.08Å
55S97.9Very high98.2Very high93 Ų9331.9 Ų31.965%0.6518%0.183SC*.G310 helixtrans-65-11.3175.256.50000114.6P53P53-S55 WeakPolarHBondContact CG-OG 3.24Å; P53-S55 PolarHBondContact O-N 3.45Å; P53-S55 VanDerWaalsContact O-N 3.17Å
56A97.8Very high98Very high11 Ų1132 Ų329%0.09118%0.184CC..G310 helixtrans-90.3-3.3173.900000113.3I52 P53 Y54 C115 F241I52-A56 HydrophobicContact CB-CB 4.41Å; I52-A56 HydrophobicContact CD1-CB 4.44Å; P53-A56 HydrophobicContact CG-CB 4.24Å; P53-A56 WeakPolarHBondContact O-CB 3.32Å; P53-A56 PolarHBondContact O-N 2.79Å; Y54-A56 PolarHBondContact O-N 2.9Å; Y54-A56 VanDerWaalsContact O-N 3.14Å; A56-C115 WeakPolarHBondContact O-CB 3.44Å; A56-F241 HydrophobicContact CB-CE2 4.44Å; A56-F241 HydrophobicContact CB-CZ 4.14Å
57V98.7Very high97.9Very high3 Ų333.9 Ų33.92%0.01820%0.204CC..  trans-86.2126.6177.2178.40000109.1L47 Y54 Q59 I85 L117L47-V57 HydrophobicContact CD2-CG2 3.97Å; Y54-V57 HydrophobicContact CD2-CB 4.27Å; Y54-V57 HydrophobicContact CD2-CG2 4.04Å; Y54-V57 HydrophobicContact CE2-CB 4.28Å; Y54-V57 HydrophobicContact CE2-CG1 4.44Å; Y54-V57 HydrophobicContact CE2-CG2 4.42Å; Y54-V57 WeakPolarHBondContact O-CB 3.24Å; Y54-V57 PolarHBondContact O-N 3.01Å; V57-Q59 WeakPolarHBondContact CG1-O 3.5Å; V57-I85 HydrophobicContact CB-CD1 4.38Å; V57-I85 HydrophobicContact CG1-CD1 3.91Å; V57-I85 WeakPolarHBondContact O-CG2 3.38Å; V57-L117 HydrophobicContact CG1-CB 3.83Å
58D98.7Very high97.9Very high70 Ų7040 Ų4037%0.37424%0.236SC..  trans-86-29.2-178.4-57.8-44.2000112.4I85 P86 A113 E114 C115D58-I85 WeakPolarHBondContact O-CB 3.4Å; D58-P86 WeakPolarHBondContact O-CD 3.49Å; D58-A113 HydrophobicContact CB-CB 3.89Å; D58-E114 WeakPolarHBondContact OD2-CA 3.32Å; D58-E114 PolarHBondContact OD2-N 3.24Å; D58-C115 WeakPolarHBondContact CB-O 3.37Å; D58-C115 PolarHBondContact N-O 3.36Å; D58-C115 PolarHBondContact OD2-N 3.37Å
59Q98.8Very high97.9Very high20 Ų2041.3 Ų41.39%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-156.1155.1-175.5-171.1160.7-5.800111.8V57 P86 L107 V116 L117V57-Q59 WeakPolarHBondContact CG1-O 3.5Å; Q59-P86 HydrophobicContact CG-CB 4.01Å; Q59-P86 HydrophobicContact CG-CG 4.45Å; Q59-P86 WeakPolarHBondContact CG-O 3.24Å; Q59-L107 HydrophobicContact CB-CD1 4.44Å; Q59-L107 VanDerWaalsContact CD-CD1 3.43Å; Q59-L107 HydrophobicContact CG-CD1 3.94Å; Q59-V116 HydrophobicContact CB-CG1 4.42Å; Q59-V116 HydrophobicContact CB-CG2 4.41Å; Q59-V116 WeakPolarHBondContact O-CA 3.44Å; Q59-V116 WeakPolarHBondContact O-CG1 3.35Å; Q59-L117 PolarHBondContact O-N 3.49Å
60A98.9Very high97.9Very high0 Ų043.6 Ų43.60%026%0.256CS..EExtended strand (participates in β ladder)trans-127.5137.3172.900000113.5V62 I76 P86 I87 I88 L117A60-V62 HydrophobicContact CB-CG2 4.4Å; A60-I76 HydrophobicContact CB-CD1 3.93Å; A60-P86 PolarHBondContact N-O 3.49Å; A60-I87 HydrophobicContact CB-CG1 4.22Å; A60-I87 WeakPolarHBondContact O-CA 3.49Å; A60-I88 PolarHBondContact O-N 2.99Å; A60-L117 CarbonylContact C-O 3.59Å; A60-L117 VanDerWaalsContact CA-O 3.27Å; A60-L117 WeakPolarHBondContact CA-O 3.4Å; A60-L117 HydrophobicContact CB-CB 4.18Å; A60-L117 HydrophobicContact CB-CD2 4.39Å
61C98.9Very high98Very high0 Ų044.2 Ų44.20%026%0.26CS..EExtended strand (participates in β ladder)trans-112.1116.4172-57.10000108.2A100 M103 L117 A118 L119C61-A100 HydrophobicContact CB-CB 4.22Å; C61-A100 WeakPolarHBondContact CB-O 3.11Å; C61-M103 HydrophobicContact CB-CB 4.46Å; C61-M103 HydrophobicContact CB-SD 4.44Å; C61-L117 PolarHBondContact N-O 2.87Å; C61-A118 WeakPolarHBondContact O-CA 3.16Å; C61-L119 PolarHBondContact O-N 3.4Å
62V98.9Very high98.1Very high0 Ų037.3 Ų37.30%023%0.228CC..EExtended strand (participates in β ladder)trans-118.8118.1-171-167.50000111.7A60 Y64 I76 I87 I88 N89 V90 L119 F121A60-V62 HydrophobicContact CB-CG2 4.4Å; V62-Y64 HydrophobicContact CG1-CD1 4.44Å; V62-I76 HydrophobicContact CG2-CD1 3.69Å; V62-I87 HydrophobicContact CG2-CG2 3.89Å; V62-I88 PolarHBondContact N-O 3.31Å; V62-N89 CarbonylContact O-C 3.32Å; V62-N89 VanDerWaalsContact O-CA 3.32Å; V62-N89 WeakPolarHBondContact O-CA 3.39Å; V62-V90 PolarHBondContact O-N 3.34Å; V62-L119 CarbonylContact C-O 3.6Å; V62-L119 VanDerWaalsContact CA-O 3.23Å; V62-L119 WeakPolarHBondContact CA-O 3.46Å; V62-L119 HydrophobicContact CG1-CB 4.37Å; V62-L119 HydrophobicContact CG1-CD2 4.14Å; V62-L119 HydrophobicContact CG1-CG 4.22Å; V62-L119 HydrophobicContact CG2-CB 4.44Å; V62-L119 HydrophobicContact CG2-CD2 4.48Å; V62-F121 HydrophobicContact CG1-CD1 4.22Å; V62-F121 HydrophobicContact CG1-CE1 3.57Å; V62-F121 HydrophobicContact CG1-CZ 4.41Å
63G98.9Very high98.2Very high0 Ų038.5 Ų38.50%023%0.234CC..EExtended strand (participates in β ladder)trans-102.3122.5-177.800000114V90 L119 G120 F121G63-V90 WeakPolarHBondContact CA-O 3.47Å; G63-L119 PolarHBondContact N-O 2.93Å; G63-G120 WeakPolarHBondContact O-CA 3.17Å; G63-F121 PolarHBondContact O-N 2.96Å
64Y98.8Very high98.3Very high16 Ų1640.3 Ų40.36%0.06323%0.231CC..  trans-152.2152.8167.457.7-82.8000109.9V62 D68 T70 C71 N89 V90 N91 T96 F121V62-Y64 HydrophobicContact CG1-CD1 4.44Å; Y64-D68 PolarHBondContact OH-O 3.02Å; Y64-T70 PolarHBondContact OH-N 3.01Å; Y64-T70 VanDerWaalsContact OH-N 3.11Å; Y64-C71 HydrophobicContact CD1-CB 4.37Å; Y64-C71 HydrophobicContact CD2-CB 4.2Å; Y64-C71 HydrophobicContact CE1-CB 3.98Å; Y64-C71 HydrophobicContact CE2-CB 3.78Å; Y64-C71 HydrophobicContact CG-CB 4.49Å; Y64-C71 PolarHBondContact OH-N 2.85Å; Y64-N89 HydrophobicContact CE1-CB 3.84Å; Y64-N89 WeakPolarHBondContact CE1-OD1 3.46Å; Y64-N89 PolarHBondContact OH-OD1 3.25Å; Y64-V90 PolarHBondContact N-O 2.89Å; Y64-N91 WeakPolarHBondContact O-CB 3.23Å; Y64-T96 VanDerWaalsContact N-CG2 3.29Å; Y64-F121 WeakPolarHBondContact CB-O 3.41Å; Y64-F121 HydrophobicContact CD1-CE1 4.28Å; Y64-F121 HydrophobicContact CD1-CE2 4.09Å; Y64-F121 AromaticContact CD1-CZ 3.65Å; Y64-F121 HydrophobicContact CD1-CZ 3.65Å; Y64-F121 HydrophobicContact CE1-CZ 4.36Å; Y64-F121 AromaticContact CG-CE2 3.88Å; Y64-F121 HydrophobicContact CG-CE2 3.88Å; Y64-F121 AromaticContact CG-CZ 3.95Å; Y64-F121 HydrophobicContact CG-CZ 3.95Å
65V98.1Very high98.3Very high34 Ų3439.5 Ų39.521%0.20623%0.228CC..SBendtrans-100.8-45.4176.5179.70000111.2N93 T96 E122 L357V65-N93 WeakPolarHBondContact CG2-O 3.3Å; V65-T96 WeakPolarHBondContact CG2-OG1 3.47Å; V65-E122 PolarHBondContact N-OE1 2.94Å; V65-E122 PolarHBondContact N-OE2 2.94Å; V65-L357 HydrophobicContact CB-CB 4.39Å; V65-L357 HydrophobicContact CB-CD1 4.02Å; V65-L357 HydrophobicContact CG1-CD1 4.11Å; V65-L357 HydrophobicContact CG2-CB 3.77Å; V65-L357 HydrophobicContact CG2-CD1 4.02Å
66F96.1Very high98.4Very high71 Ų7135.1 Ų35.131%0.31120%0.197SC..SBendtrans-105.1106.3-177.8-58.2-59.1000111E122 M124 L129 K132 L357F66-E122 WeakPolarHBondContact CB-OE1 3.15Å; F66-E122 HydrophobicContact CD2-CG 4.39Å; F66-E122 PolarHBondContact N-OE1 3.35Å; F66-M124 HydrophobicContact CE2-CE 4.44Å; F66-L129 HydrophobicContact CE2-CD2 3.76Å; F66-L129 HydrophobicContact CZ-CD2 3.95Å; F66-K132 HydrophobicContact CD1-CG 4.38Å; F66-K132 HydrophobicContact CE1-CG 4.1Å; F66-L357 HydrophobicContact CD2-CD1 4.42Å; F66-L357 HydrophobicContact CE2-CD1 3.72Å; F66-L357 HydrophobicContact CZ-CD1 4.29Å
67G95.8Very high98.4Very high41 Ų4139 Ų3942%0.42321%0.21SC..SBendtrans170.4154.7176.700000109.1
68D98.2Very high98Very high140 Ų14045.4 Ų45.475%0.74924%0.239SC*.  trans-66.4158.8170.9-71.1-19.6000109.9Y64 T70 C71Y64-D68 PolarHBondContact OH-O 3.02Å; D68-T70 PolarHBondContact O-N 3.47Å; D68-C71 PolarHBondContact O-N 2.94Å; D68-C71 PolarHBondContact O-SG 3.01Å
69S98.4Very high97.8Very high98 Ų9843.7 Ų43.769%0.68523%0.233SC*.THydrogen-bonded Turntrans-52.1141.5174.5-173.40000110.2
70T98.6Very high97.6Very high73 Ų7343.9 Ų43.945%0.44823%0.234SC..THydrogen-bonded Turntrans7412.8-177.477.50000117.1Y64 D68 G72 Q73 R74Y64-T70 PolarHBondContact OH-N 3.01Å; Y64-T70 VanDerWaalsContact OH-N 3.11Å; D68-T70 PolarHBondContact O-N 3.47Å; T70-G72 PolarHBondContact O-N 2.97Å; T70-G72 VanDerWaalsContact O-N 3.1Å; T70-Q73 PolarHBondContact O-N 3.26Å; T70-Q73 VanDerWaalsContact O-N 3.15Å; T70-Q73 PolarHBondContact O-OE1 3.24Å; T70-R74 PolarHBondContact O-N 3.21Å; T70-R74 VanDerWaalsContact O-N 3.14Å
71C98.8Very high97.5Very high12 Ų1245 Ų458%0.08125%0.246CC..Hα-helixtrans-53.5-29.1167.3-820000112.5Y35 Y64 D68 R74 A75 F121Y35-C71 HydrophobicContact CE2-CB 3.91Å; Y35-C71 WeakPolarHBondContact CE2-O 3.4Å; Y64-C71 HydrophobicContact CD1-CB 4.37Å; Y64-C71 HydrophobicContact CD2-CB 4.2Å; Y64-C71 HydrophobicContact CE1-CB 3.98Å; Y64-C71 HydrophobicContact CE2-CB 3.78Å; Y64-C71 HydrophobicContact CG-CB 4.49Å; Y64-C71 PolarHBondContact OH-N 2.85Å; D68-C71 PolarHBondContact O-N 2.94Å; D68-C71 PolarHBondContact O-SG 3.01Å; C71-R74 PolarHBondContact O-N 2.79Å; C71-A75 VanDerWaalsContact O-CB 3.23Å; C71-A75 WeakPolarHBondContact O-CB 3.49Å; C71-A75 PolarHBondContact O-N 3.28Å; C71-F121 HydrophobicContact CB-CE2 4.33Å; C71-F121 HydrophobicContact CB-CZ 4.01Å
72G98.7Very high97.4Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-65-46.5175.900000113.9T70 R74 A75 I76 N89T70-G72 PolarHBondContact O-N 2.97Å; T70-G72 VanDerWaalsContact O-N 3.1Å; G72-R74 VanDerWaalsContact C-N 3.33Å; G72-R74 PolarHBondContact O-N 3.21Å; G72-A75 PolarHBondContact O-N 3.18Å; G72-I76 WeakPolarHBondContact O-CG1 3.37Å; G72-I76 PolarHBondContact O-N 3.05Å; G72-N89 VanDerWaalsContact CA-OD1 3.3Å; G72-N89 WeakPolarHBondContact CA-OD1 3.2Å; G72-N89 PolarHBondContact N-OD1 2.99Å
73Q98.8Very high97.4Very high38 Ų3854.4 Ų54.418%0.17830%0.296CS..Hα-helixtrans-58.6-48172.1-71.990.1-34.600110.5T70 A75 I76 Y77 I87 N89T70-Q73 PolarHBondContact O-N 3.26Å; T70-Q73 VanDerWaalsContact O-N 3.15Å; T70-Q73 PolarHBondContact O-OE1 3.24Å; Q73-A75 PolarHBondContact O-N 3.2Å; Q73-I76 PolarHBondContact O-N 3.28Å; Q73-I76 VanDerWaalsContact O-N 3.09Å; Q73-Y77 HydrophobicContact CB-CD2 4.47Å; Q73-Y77 HydrophobicContact CB-CE1 4.14Å; Q73-Y77 HydrophobicContact CB-CE2 3.91Å; Q73-Y77 HydrophobicContact CG-CE1 4.36Å; Q73-Y77 HydrophobicContact CG-CE2 4.49Å; Q73-Y77 WeakPolarHBondContact O-CD1 3.43Å; Q73-Y77 VanDerWaalsContact O-CG 3.26Å; Q73-Y77 PolarHBondContact O-N 2.91Å; Q73-I87 HydrophobicContact CG-CB 4.19Å; Q73-I87 HydrophobicContact CG-CD1 4.17Å; Q73-I87 HydrophobicContact CG-CG2 4.12Å; Q73-N89 PolarHBondContact OE1-ND2 3.01Å; Q73-N89 PolarHBondContact OE1-OD1 3.31Å
74R98.7Very high97.3Very high110 Ų11058.2 Ų58.242%0.41534%0.335SS..Hα-helixtrans-60.9-34.1-179.7178.855.2-172.783.5-1.2112.6Y35 T70 C71 G72Y35-R74 HydrophobicContact CE2-CB 4.39Å; Y35-R74 HydrophobicContact CE2-CG 4.23Å; Y35-R74 WeakPolarHBondContact OH-CG 3.27Å; T70-R74 PolarHBondContact O-N 3.21Å; T70-R74 VanDerWaalsContact O-N 3.14Å; C71-R74 PolarHBondContact O-N 2.79Å; G72-R74 VanDerWaalsContact C-N 3.33Å; G72-R74 PolarHBondContact O-N 3.21Å
75A98.4Very high97.3Very high0 Ų059 Ų590%034%0.34CS..Hα-helixtrans-70.5-31.1177.300000113.3Y35 A39 C71 G72 Q73 S79 F121Y35-A75 HydrophobicContact CD2-CB 4.17Å; Y35-A75 HydrophobicContact CE2-CB 4.25Å; A39-A75 HydrophobicContact CB-CB 3.67Å; C71-A75 VanDerWaalsContact O-CB 3.23Å; C71-A75 WeakPolarHBondContact O-CB 3.49Å; C71-A75 PolarHBondContact O-N 3.28Å; G72-A75 PolarHBondContact O-N 3.18Å; Q73-A75 PolarHBondContact O-N 3.2Å; A75-S79 PolarHBondContact O-OG 2.85Å; A75-F121 HydrophobicContact CB-CD1 4.3Å; A75-F121 HydrophobicContact CB-CE1 3.58Å; A75-F121 HydrophobicContact CB-CZ 4.03Å
76I98.6Very high97.4Very high0 Ų060.8 Ų60.80%035%0.353CS..Hα-helixtrans-89.6-45.1-174.9-71.8176.2000112.7Y54 A60 V62 G72 Q73 H78 S79 L80 G81 I87 L117 L119Y54-I76 HydrophobicContact CE1-CG2 4.16Å; Y54-I76 HydrophobicContact CE2-CG2 4.39Å; Y54-I76 WeakPolarHBondContact OH-CG2 3.23Å; A60-I76 HydrophobicContact CB-CD1 3.93Å; V62-I76 HydrophobicContact CG2-CD1 3.69Å; G72-I76 WeakPolarHBondContact O-CG1 3.37Å; G72-I76 PolarHBondContact O-N 3.05Å; Q73-I76 PolarHBondContact O-N 3.28Å; Q73-I76 VanDerWaalsContact O-N 3.09Å; I76-H78 VanDerWaalsContact C-N 3.34Å; I76-H78 PolarHBondContact O-N 2.97Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.78Å; I76-L80 HydrophobicContact CG1-CD1 4.32Å; I76-L80 HydrophobicContact CG2-CB 4.24Å; I76-L80 HydrophobicContact CG2-CD1 4.48Å; I76-L80 PolarHBondContact O-N 2.93Å; I76-G81 PolarHBondContact O-N 3.09Å; I76-I87 HydrophobicContact CD1-CD1 4.17Å; I76-I87 HydrophobicContact CD1-CG1 4.5Å; I76-I87 HydrophobicContact CD1-CG2 4.26Å; I76-I87 HydrophobicContact CG2-CD1 4.27Å; I76-L117 HydrophobicContact CD1-CD2 4.39Å; I76-L119 HydrophobicContact CD1-CD2 4.23Å; I76-L119 HydrophobicContact CG1-CD2 3.88Å
77Y98Very high97.5Very high94 Ų9458.5 Ų58.537%0.36934%0.343SS..Hα-helixtrans-58-39-163.5-73.4-8.8000115.3Q73 M82 I87Q73-Y77 HydrophobicContact CB-CD2 4.47Å; Q73-Y77 HydrophobicContact CB-CE1 4.14Å; Q73-Y77 HydrophobicContact CB-CE2 3.91Å; Q73-Y77 HydrophobicContact CG-CE1 4.36Å; Q73-Y77 HydrophobicContact CG-CE2 4.49Å; Q73-Y77 WeakPolarHBondContact O-CD1 3.43Å; Q73-Y77 VanDerWaalsContact O-CG 3.26Å; Q73-Y77 PolarHBondContact O-N 2.91Å; Y77-M82 HydrophobicContact CD1-CG 3.87Å; Y77-M82 HydrophobicContact CD2-CG 4.42Å; Y77-M82 HydrophobicContact CD2-SD 4.45Å; Y77-M82 HydrophobicContact CG-CG 3.75Å; Y77-M82 HydrophobicContact CG-SD 4.29Å; Y77-I87 HydrophobicContact CD1-CD1 4.41Å; Y77-I87 HydrophobicContact CE1-CD1 3.71Å
78H91.7Very high97.7Very high137 Ų13759.7 Ų59.763%0.63434%0.339SS*.THydrogen-bonded Turntrans-1003.1-173.4-57.3-65.8000113.6I76I76-H78 VanDerWaalsContact C-N 3.34Å; I76-H78 PolarHBondContact O-N 2.97Å
79S93.2Very high97.7Very high33 Ų3354.9 Ų54.923%0.23131%0.314CS..THydrogen-bonded Turntrans-124.5-43.3-176.6620000112.9Q44 A75 I76Q44-S79 PolarHBondContact NE2-O 3.37Å; A75-S79 PolarHBondContact O-OG 2.85Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.78Å
80L96.3Very high97.7Very high25 Ų2550.9 Ų50.913%0.13129%0.285CS..THydrogen-bonded Turntrans-103.6-39.7-180-51.6-173.6000111.9Q44 L47 Y54 I76 L117Q44-L80 HydrophobicContact CG-CD2 3.71Å; L47-L80 HydrophobicContact CD1-CD2 4.17Å; Y54-L80 HydrophobicContact CD1-CB 4Å; Y54-L80 VanDerWaalsContact CD1-O 3.28Å; Y54-L80 WeakPolarHBondContact CD1-O 3.34Å; Y54-L80 HydrophobicContact CD2-CB 3.9Å; Y54-L80 HydrophobicContact CD2-CD1 4.23Å; Y54-L80 HydrophobicContact CE1-CB 4.22Å; Y54-L80 HydrophobicContact CE2-CB 4.14Å; Y54-L80 HydrophobicContact CE2-CD1 4.17Å; Y54-L80 HydrophobicContact CG-CB 3.83Å; I76-L80 HydrophobicContact CG1-CD1 4.32Å; I76-L80 HydrophobicContact CG2-CB 4.24Å; I76-L80 HydrophobicContact CG2-CD1 4.48Å; I76-L80 PolarHBondContact O-N 2.93Å; L80-L117 HydrophobicContact CD1-CD2 3.65Å
81G95.9Very high97.7Very high23 Ų2352.9 Ų52.924%0.23729%0.293CS..  trans138.8175.8173.600000114.4Y54 I76Y54-G81 WeakPolarHBondContact CE1-O 3.22Å; I76-G81 PolarHBondContact O-N 3.09Å
82M97.6Very high97.7Very high133 Ų13354.2 Ų54.266%0.65530%0.299SS*.  trans-118.682.9-179.7-68-179.5-71.800110.2Y77Y77-M82 HydrophobicContact CD1-CG 3.87Å; Y77-M82 HydrophobicContact CD2-CG 4.42Å; Y77-M82 HydrophobicContact CD2-SD 4.45Å; Y77-M82 HydrophobicContact CG-CG 3.75Å; Y77-M82 HydrophobicContact CG-SD 4.29Å
83T97.9Very high97.6Very high64 Ų6456.9 Ų56.939%0.39331%0.314SS..  trans-92.3-8.7-17652.90000113.8Y54 I85Y54-T83 HydrophobicContact CD1-CG2 3.82Å; Y54-T83 HydrophobicContact CE1-CG2 3.84Å; T83-I85 VanDerWaalsContact C-N 3.29Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.36Å; T83-I85 WeakPolarHBondContact OG1-CG2 3.46Å
84G98Very high97.6Very high81 Ų8156.3 Ų56.384%0.83531%0.313SS*.  trans79.46.4-17600000114.7
85I98.7Very high97.6Very high32 Ų3251 Ų5116%0.16429%0.293CS..  trans-66.3157.2179.266.1173.4000112.3Y54 V57 D58 T83 I87Y54-I85 HydrophobicContact CE2-CD1 4.29Å; Y54-I85 VanDerWaalsContact OH-CD1 3.29Å; Y54-I85 WeakPolarHBondContact OH-CD1 3.3Å; V57-I85 HydrophobicContact CB-CD1 4.38Å; V57-I85 HydrophobicContact CG1-CD1 3.91Å; V57-I85 WeakPolarHBondContact O-CG2 3.38Å; D58-I85 WeakPolarHBondContact O-CB 3.4Å; T83-I85 VanDerWaalsContact C-N 3.29Å; T83-I85 WeakPolarHBondContact OG1-CG1 3.36Å; T83-I85 WeakPolarHBondContact OG1-CG2 3.46Å; I85-I87 HydrophobicContact CG1-CG1 4.37Å; I85-I87 PolarHBondContact O-N 3.44Å
86P98.8Very high97.6Very high72 Ų7251 Ų5147%0.46829%0.293SS..  trans-63.4134.1172.9-15.129.1000111D58 Q59 A60D58-P86 WeakPolarHBondContact O-CD 3.49Å; Q59-P86 HydrophobicContact CG-CB 4.01Å; Q59-P86 HydrophobicContact CG-CG 4.45Å; Q59-P86 WeakPolarHBondContact CG-O 3.24Å; A60-P86 PolarHBondContact N-O 3.49Å
87I98.9Very high97.6Very high23 Ų2351 Ų5112%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-127.7117.5176-60.4171.8000107.8A60 V62 Q73 I76 Y77 I85A60-I87 HydrophobicContact CB-CG1 4.22Å; A60-I87 WeakPolarHBondContact O-CA 3.49Å; V62-I87 HydrophobicContact CG2-CG2 3.89Å; Q73-I87 HydrophobicContact CG-CB 4.19Å; Q73-I87 HydrophobicContact CG-CD1 4.17Å; Q73-I87 HydrophobicContact CG-CG2 4.12Å; I76-I87 HydrophobicContact CD1-CD1 4.17Å; I76-I87 HydrophobicContact CD1-CG1 4.5Å; I76-I87 HydrophobicContact CD1-CG2 4.26Å; I76-I87 HydrophobicContact CG2-CD1 4.27Å; Y77-I87 HydrophobicContact CD1-CD1 4.41Å; Y77-I87 HydrophobicContact CE1-CD1 3.71Å; I85-I87 HydrophobicContact CG1-CG1 4.37Å; I85-I87 PolarHBondContact O-N 3.44Å
88I98.9Very high97.7Very high65 Ų6546.6 Ų46.633%0.33328%0.276SS..EExtended strand (participates in β ladder)trans-109.5130-179.9-56.2176.1000108.9A60 V62 V90 M103A60-I88 PolarHBondContact O-N 2.99Å; V62-I88 PolarHBondContact N-O 3.31Å; I88-V90 HydrophobicContact CG2-CG1 3.99Å; I88-M103 HydrophobicContact CB-SD 4.17Å; I88-M103 HydrophobicContact CD1-SD 4Å; I88-M103 HydrophobicContact CG2-CE 4.32Å; I88-M103 HydrophobicContact CG2-SD 3.94Å
89N98.9Very high98Very high40 Ų4040.7 Ų40.721%0.21425%0.25CC..EExtended strand (participates in β ladder)trans-94.3128.8174.9-56.5-100.3000108.3V62 Y64 G72 Q73V62-N89 CarbonylContact O-C 3.32Å; V62-N89 VanDerWaalsContact O-CA 3.32Å; V62-N89 WeakPolarHBondContact O-CA 3.39Å; Y64-N89 HydrophobicContact CE1-CB 3.84Å; Y64-N89 WeakPolarHBondContact CE1-OD1 3.46Å; Y64-N89 PolarHBondContact OH-OD1 3.25Å; G72-N89 VanDerWaalsContact CA-OD1 3.3Å; G72-N89 WeakPolarHBondContact CA-OD1 3.2Å; G72-N89 PolarHBondContact N-OD1 2.99Å; Q73-N89 PolarHBondContact OE1-ND2 3.01Å; Q73-N89 PolarHBondContact OE1-OD1 3.31Å
90V98.9Very high98.3Very high14 Ų1439.1 Ų39.19%0.08524%0.239CC..EExtended strand (participates in β ladder)trans-129.1151.8-177.6-60.40000111V62 G63 Y64 I88 T96 T99 A100 M103V62-V90 PolarHBondContact O-N 3.34Å; G63-V90 WeakPolarHBondContact CA-O 3.47Å; Y64-V90 PolarHBondContact N-O 2.89Å; I88-V90 HydrophobicContact CG2-CG1 3.99Å; V90-T96 WeakPolarHBondContact O-CG2 3.22Å; V90-T99 HydrophobicContact CB-CG2 4.15Å; V90-T99 HydrophobicContact CG2-CG2 4.15Å; V90-A100 HydrophobicContact CG2-CB 3.9Å; V90-M103 HydrophobicContact CG1-CE 3.45Å; V90-M103 VanDerWaalsContact CG1-CE 3.45Å; V90-M103 HydrophobicContact CG1-SD 3.91Å
91N98.6Very high98.4Very high114 Ų11438 Ų3861%0.6123%0.233SC*.  trans-147.7147.8171.364.883.7000110.4Y64Y64-N91 WeakPolarHBondContact O-CB 3.23Å
92N98.3Very high98.6Very high40 Ų4038.4 Ų38.421%0.21423%0.228CC..  trans-156.847.8175-141.5-19.1000110.2C94 S95 T96 T99 A397N92-C94 PolarHBondContact O-N 3.33Å; N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 VanDerWaalsContact O-N 3.17Å; N92-S95 PolarHBondContact O-OG 3.35Å; N92-T96 PolarHBondContact N-OG1 2.8Å; N92-T99 HydrophobicContact CB-CG2 4.45Å; N92-T99 WeakPolarHBondContact CB-OG1 3.43Å; N92-A397 WeakPolarHBondContact ND2-CB 3.49Å
93N97.3Very high98.6Very high57 Ų5734.6 Ų34.631%0.30521%0.209SC..G310 helixtrans48.7-130.3-171-71.8-45.2000111.9V65 S95 T96 L394V65-N93 WeakPolarHBondContact CG2-O 3.3Å; N93-S95 PolarHBondContact O-N 2.89Å; N93-S95 VanDerWaalsContact O-N 3.14Å; N93-T96 PolarHBondContact N-OG1 3.17Å; N93-T96 VanDerWaalsContact O-CB 3.25Å; N93-T96 WeakPolarHBondContact O-CB 3.27Å; N93-T96 PolarHBondContact O-N 3.29Å; N93-T96 VanDerWaalsContact O-N 3.11Å; N93-T96 PolarHBondContact O-OG1 2.94Å; N93-L394 PolarHBondContact ND2-O 3.14Å
94C97.8Very high98.7Very high25 Ų2531.5 Ų31.517%0.16919%0.191CC..G310 helixtrans-67.2-13.4-174.2-51.70000114.2N92 H355 N391 L392N92-C94 PolarHBondContact O-N 3.33Å; C94-H355 WeakPolarHBondContact CB-NE2 3.38Å; C94-H355 PolarHBondContact SG-NE2 2.89Å; C94-H355 VanDerWaalsContact SG-NE2 3.41Å; C94-N391 PolarHBondContact O-ND2 3.36Å; C94-N391 PolarHBondContact O-OD1 2.87Å; C94-L392 CarbonylContact C-O 3.51Å; C94-L392 VanDerWaalsContact CB-O 3.22Å; C94-L392 WeakPolarHBondContact CB-O 3.26Å
95S98.7Very high98.7Very high0 Ų029 Ų290%016%0.156CC..G310 helixtrans-97.313.9174.659.10000114.2N92 N93 G97 S98 T99 N391 G393 A397N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 VanDerWaalsContact O-N 3.17Å; N92-S95 PolarHBondContact O-OG 3.35Å; N93-S95 PolarHBondContact O-N 2.89Å; N93-S95 VanDerWaalsContact O-N 3.14Å; S95-G97 PolarHBondContact O-N 3.38Å; S95-S98 PolarHBondContact O-N 2.81Å; S95-T99 PolarHBondContact O-N 2.76Å; S95-T99 PolarHBondContact O-OG1 3.3Å; S95-N391 WeakPolarHBondContact CA-OD1 3.35Å; S95-G393 PolarHBondContact OG-N 2.91Å; S95-A397 WeakPolarHBondContact CB-O 3.4Å; S95-A397 PolarHBondContact OG-O 2.87Å
96T98.9Very high98.7Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-57-43.7-179.1-68.30000113.2Y64 V65 V90 N92 N93 T99 A100Y64-T96 VanDerWaalsContact N-CG2 3.29Å; V65-T96 WeakPolarHBondContact CG2-OG1 3.47Å; V90-T96 WeakPolarHBondContact O-CG2 3.22Å; N92-T96 PolarHBondContact N-OG1 2.8Å; N93-T96 PolarHBondContact N-OG1 3.17Å; N93-T96 VanDerWaalsContact O-CB 3.25Å; N93-T96 WeakPolarHBondContact O-CB 3.27Å; N93-T96 PolarHBondContact O-N 3.29Å; N93-T96 VanDerWaalsContact O-N 3.11Å; N93-T96 PolarHBondContact O-OG1 2.94Å; T96-T99 WeakPolarHBondContact O-CB 3.48Å; T96-T99 PolarHBondContact O-N 3.42Å; T96-T99 VanDerWaalsContact O-N 3.16Å; T96-A100 PolarHBondContact O-N 3.02Å
97G98.9Very high98.7Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-62.4-45178.400000112.7S95 T99 A100 L101 G358S95-G97 PolarHBondContact O-N 3.38Å; G97-T99 VanDerWaalsContact C-N 3.28Å; G97-T99 PolarHBondContact O-N 3.09Å; G97-A100 PolarHBondContact O-N 2.6Å; G97-L101 PolarHBondContact O-N 2.81Å; G97-L101 VanDerWaalsContact O-N 3.09Å; G97-G358 WeakPolarHBondContact CA-O 3.31Å; G97-G358 PolarHBondContact N-O 2.99Å
98S98.9Very high98.7Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-71.2-23.6175.1-63.60000112.9S95 L101 F102 G361 Q389 N391S95-S98 PolarHBondContact O-N 2.81Å; S98-L101 PolarHBondContact O-N 3.1Å; S98-F102 WeakPolarHBondContact O-CB 3.34Å; S98-F102 PolarHBondContact O-N 3.49Å; S98-G361 VanDerWaalsContact OG-CA 3.3Å; S98-G361 WeakPolarHBondContact OG-CA 3.35Å; S98-Q389 PolarHBondContact OG-NE2 2.81Å; S98-N391 WeakPolarHBondContact OG-CB 3.32Å; S98-N391 PolarHBondContact OG-OD1 2.93Å
99T98.9Very high98.6Very high14 Ų1427 Ų279%0.08614%0.138CC..Hα-helixtrans-67.5-42.2171.1-63.20000111.2V90 N92 S95 T96 G97 L101 F102 M103 M259V90-T99 HydrophobicContact CB-CG2 4.15Å; V90-T99 HydrophobicContact CG2-CG2 4.15Å; N92-T99 HydrophobicContact CB-CG2 4.45Å; N92-T99 WeakPolarHBondContact CB-OG1 3.43Å; S95-T99 PolarHBondContact O-N 2.76Å; S95-T99 PolarHBondContact O-OG1 3.3Å; T96-T99 WeakPolarHBondContact O-CB 3.48Å; T96-T99 PolarHBondContact O-N 3.42Å; T96-T99 VanDerWaalsContact O-N 3.16Å; G97-T99 VanDerWaalsContact C-N 3.28Å; G97-T99 PolarHBondContact O-N 3.09Å; T99-L101 VanDerWaalsContact C-N 3.34Å; T99-F102 PolarHBondContact O-N 3.18Å; T99-M103 PolarHBondContact O-N 3.08Å; T99-M259 HydrophobicContact CG2-CE 4.07Å
100A98.9Very high98.6Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-61.8-43.1172.800000111.5C61 V90 T96 G97 M103 A104 A118C61-A100 HydrophobicContact CB-CB 4.22Å; C61-A100 WeakPolarHBondContact CB-O 3.11Å; V90-A100 HydrophobicContact CG2-CB 3.9Å; T96-A100 PolarHBondContact O-N 3.02Å; G97-A100 PolarHBondContact O-N 2.6Å; A100-M103 PolarHBondContact O-N 3.4Å; A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.74Å; A100-A118 HydrophobicContact CB-CB 4.49Å
101L98.9Very high98.5Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-61.7-44.5174.8-174.965000112.3G97 S98 T99 A104 R105 A118 A234 L236 L362 C365 Y403G97-L101 PolarHBondContact O-N 2.81Å; G97-L101 VanDerWaalsContact O-N 3.09Å; S98-L101 PolarHBondContact O-N 3.1Å; T99-L101 VanDerWaalsContact C-N 3.34Å; L101-A104 PolarHBondContact O-N 2.85Å; L101-R105 WeakPolarHBondContact O-CB 3.12Å; L101-R105 PolarHBondContact O-N 2.95Å; L101-A118 HydrophobicContact CD1-CB 4.47Å; L101-A234 HydrophobicContact CD1-CB 4.38Å; L101-L236 HydrophobicContact CD1-CD1 3.65Å; L101-L236 HydrophobicContact CD1-CD2 3.78Å; L101-L236 HydrophobicContact CD1-CG 4.15Å; L101-L362 HydrophobicContact CB-CD2 4.2Å; L101-L362 HydrophobicContact CD1-CD2 4.31Å; L101-C365 HydrophobicContact CD2-CB 4.06Å; L101-Y403 VanDerWaalsContact CD2-OH 3.25Å; L101-Y403 WeakPolarHBondContact CD2-OH 3.42Å
102F98.9Very high98.4Very high33 Ų3328.4 Ų28.415%0.14517%0.171CC..Hα-helixtrans-60-47.1178.5-178.4-94.6000112S98 T99 R105 Q106 Q257 M259 V399S98-F102 WeakPolarHBondContact O-CB 3.34Å; S98-F102 PolarHBondContact O-N 3.49Å; T99-F102 PolarHBondContact O-N 3.18Å; F102-R105 PolarHBondContact O-N 3.48Å; F102-Q106 HydrophobicContact CE1-CG 4.34Å; F102-Q106 WeakPolarHBondContact O-CG 3.43Å; F102-Q106 PolarHBondContact O-N 3.16Å; F102-Q257 HydrophobicContact CD2-CG 3.96Å; F102-M259 HydrophobicContact CB-CE 4.09Å; F102-M259 HydrophobicContact CD1-CE 3.79Å; F102-M259 HydrophobicContact CD2-CB 4.09Å; F102-M259 HydrophobicContact CE1-CB 4.26Å; F102-M259 HydrophobicContact CE1-CE 4.33Å; F102-M259 HydrophobicContact CE2-CB 3.76Å; F102-M259 HydrophobicContact CG-CB 4.49Å; F102-M259 HydrophobicContact CG-CE 3.91Å; F102-M259 HydrophobicContact CZ-CB 3.84Å; F102-V399 HydrophobicContact CD2-CG1 4.48Å
103M98.9Very high98.4Very high52 Ų5226.7 Ų26.726%0.25616%0.163SC..Hα-helixtrans-63.3-45.1175.8-174.1178.6-7200111.5C61 I88 V90 T99 A100 R105 Q106 L107C61-M103 HydrophobicContact CB-CB 4.46Å; C61-M103 HydrophobicContact CB-SD 4.44Å; I88-M103 HydrophobicContact CB-SD 4.17Å; I88-M103 HydrophobicContact CD1-SD 4Å; I88-M103 HydrophobicContact CG2-CE 4.32Å; I88-M103 HydrophobicContact CG2-SD 3.94Å; V90-M103 HydrophobicContact CG1-CE 3.45Å; V90-M103 VanDerWaalsContact CG1-CE 3.45Å; V90-M103 HydrophobicContact CG1-SD 3.91Å; T99-M103 PolarHBondContact O-N 3.08Å; A100-M103 PolarHBondContact O-N 3.4Å; M103-R105 VanDerWaalsContact C-N 3.31Å; M103-R105 PolarHBondContact O-N 2.91Å; M103-Q106 PolarHBondContact O-N 3.29Å; M103-L107 HydrophobicContact CG-CD1 4.49Å; M103-L107 WeakPolarHBondContact O-CG 3.31Å; M103-L107 PolarHBondContact O-N 3.04Å
104A98.9Very high98.5Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-59.9-41.1177.800000112.4A100 L101 L107 I108 V116 A118 L236A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.74Å; L101-A104 PolarHBondContact O-N 2.85Å; A104-L107 PolarHBondContact O-N 3.43Å; A104-I108 PolarHBondContact O-N 3.07Å; A104-V116 HydrophobicContact CB-CB 4.15Å; A104-V116 HydrophobicContact CB-CG1 3.54Å; A104-A118 HydrophobicContact CB-CB 4.02Å; A104-L236 HydrophobicContact CB-CD1 3.96Å; A104-L236 HydrophobicContact CB-CD2 4.13Å
105R98.8Very high98.5Very high28 Ų2825.8 Ų25.811%0.10615%0.154CC..Hα-helixtrans-61.7-45.6174.9-176.3-84.1-177.3142.69.3111.4V14 L101 F102 M103 L107 I108 Q109 L236 I254V14-R105 HydrophobicContact CB-CG 4.18Å; V14-R105 HydrophobicContact CG1-CG 4.12Å; V14-R105 HydrophobicContact CG2-CG 4.16Å; L101-R105 WeakPolarHBondContact O-CB 3.12Å; L101-R105 PolarHBondContact O-N 2.95Å; F102-R105 PolarHBondContact O-N 3.48Å; M103-R105 VanDerWaalsContact C-N 3.31Å; M103-R105 PolarHBondContact O-N 2.91Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 3.07Å; R105-I108 PolarHBondContact O-N 3.32Å; R105-Q109 VanDerWaalsContact O-CB 3.24Å; R105-Q109 WeakPolarHBondContact O-CB 3.18Å; R105-Q109 PolarHBondContact O-N 2.89Å; R105-L236 HydrophobicContact CB-CD2 4.08Å; R105-I254 HydrophobicContact CB-CD1 4.28Å; R105-I254 HydrophobicContact CG-CD1 4.05Å; R105-I254 HydrophobicContact CG-CG2 4.34Å
106Q98.7Very high98.5Very high98 Ų9825.8 Ų25.846%0.45815%0.154SC..Hα-helixtrans-62.1-38.3179.8-74.7-169.1-12.800112.7F102 M103 I108 Q109 G110F102-Q106 HydrophobicContact CE1-CG 4.34Å; F102-Q106 WeakPolarHBondContact O-CG 3.43Å; F102-Q106 PolarHBondContact O-N 3.16Å; M103-Q106 PolarHBondContact O-N 3.29Å; Q106-I108 VanDerWaalsContact C-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.49Å; Q106-Q109 PolarHBondContact O-N 3.38Å; Q106-G110 PolarHBondContact O-N 2.8Å
107L98.8Very high98.5Very high24 Ų2425.8 Ų25.813%0.12615%0.154CC..Hα-helixtrans-60.7-42.9177.3-69.1168.2000111.9Q59 M103 A104 R105 G111 V112 A113 V116Q59-L107 HydrophobicContact CB-CD1 4.44Å; Q59-L107 VanDerWaalsContact CD-CD1 3.43Å; Q59-L107 HydrophobicContact CG-CD1 3.94Å; M103-L107 HydrophobicContact CG-CD1 4.49Å; M103-L107 WeakPolarHBondContact O-CG 3.31Å; M103-L107 PolarHBondContact O-N 3.04Å; A104-L107 PolarHBondContact O-N 3.43Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 3.07Å; L107-G111 PolarHBondContact O-N 3.43Å; L107-V112 HydrophobicContact CB-CB 4.5Å; L107-V112 HydrophobicContact CD2-CB 4.08Å; L107-V112 HydrophobicContact CD2-CG1 3.9Å; L107-V112 HydrophobicContact CD2-CG2 4.47Å; L107-V112 WeakPolarHBondContact O-CB 3.35Å; L107-V112 PolarHBondContact O-N 2.96Å; L107-A113 PolarHBondContact O-N 3Å; L107-V116 HydrophobicContact CB-CG2 4.15Å; L107-V116 HydrophobicContact CD1-CG1 4.13Å; L107-V116 HydrophobicContact CD1-CG2 4.42Å
108I98.7Very high98.5Very high0 Ų025.8 Ų25.80%015%0.154CC..Hα-helixtrans-74.4-44.7178.1-59.8-179000111V14 A104 R105 Q106 G110 G111 A113 V116 L236V14-I108 HydrophobicContact CB-CG2 4.45Å; V14-I108 HydrophobicContact CG1-CB 4.11Å; V14-I108 HydrophobicContact CG1-CD1 4.13Å; V14-I108 HydrophobicContact CG1-CG2 4.15Å; V14-I108 HydrophobicContact CG2-CB 4.01Å; V14-I108 HydrophobicContact CG2-CG2 3.87Å; A104-I108 PolarHBondContact O-N 3.07Å; R105-I108 PolarHBondContact O-N 3.32Å; Q106-I108 VanDerWaalsContact C-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.49Å; I108-G110 VanDerWaalsContact C-N 3.29Å; I108-G110 PolarHBondContact O-N 3.45Å; I108-G111 PolarHBondContact O-N 2.88Å; I108-A113 WeakPolarHBondContact CA-O 3.36Å; I108-V116 HydrophobicContact CD1-CB 4.26Å; I108-V116 HydrophobicContact CD1-CG2 4.07Å; I108-V116 HydrophobicContact CG1-CB 4.39Å; I108-V116 HydrophobicContact CG1-CG2 3.72Å; I108-L236 HydrophobicContact CD1-CB 3.48Å; I108-L236 VanDerWaalsContact CD1-CB 3.48Å; I108-L236 VanDerWaalsContact CD1-O 3.24Å; I108-L236 WeakPolarHBondContact CD1-O 3.4Å
109Q97.8Very high98.5Very high29 Ų2925.8 Ų25.814%0.13615%0.154CC..Hα-helixtrans-60.6-40.2-179.2-175173.848.700112.1L11 V14 R105 Q106 G111L11-Q109 HydrophobicContact CB-CG 3.75Å; L11-Q109 VanDerWaalsContact CB-NE2 3.34Å; L11-Q109 HydrophobicContact CD1-CG 4.47Å; L11-Q109 HydrophobicContact CD2-CG 4.04Å; L11-Q109 HydrophobicContact CG-CG 4.3Å; V14-Q109 HydrophobicContact CG2-CB 3.91Å; R105-Q109 VanDerWaalsContact O-CB 3.24Å; R105-Q109 WeakPolarHBondContact O-CB 3.18Å; R105-Q109 PolarHBondContact O-N 2.89Å; Q106-Q109 PolarHBondContact O-N 3.38Å; Q109-G111 PolarHBondContact O-N 3.49Å
110G97.3Very high98.5Very high58 Ų5825.1 Ų25.160%0.59815%0.15SC*.THydrogen-bonded Turntrans-78.7-2.7175.900000114.2Q106 I108 V112Q106-G110 PolarHBondContact O-N 2.8Å; I108-G110 VanDerWaalsContact C-N 3.29Å; I108-G110 PolarHBondContact O-N 3.45Å; G110-V112 VanDerWaalsContact C-N 3.32Å; G110-V112 PolarHBondContact O-N 2.88Å
111G96.8Very high98.5Very high36 Ų3625.2 Ų25.237%0.37115%0.15SC..THydrogen-bonded Turntrans70.323.2179.500000115.4R12 L107 I108 Q109R12-G111 VanDerWaalsContact NH1-CA 3.32Å; L107-G111 PolarHBondContact O-N 3.43Å; I108-G111 PolarHBondContact O-N 2.88Å; Q109-G111 PolarHBondContact O-N 3.49Å
112V97.8Very high98.5Very high102 Ų10225.2 Ų25.262%0.61815%0.15SC*.SBendtrans-75.3-32.9174.6-178.80000111.2L107 G110L107-V112 HydrophobicContact CB-CB 4.5Å; L107-V112 HydrophobicContact CD2-CB 4.08Å; L107-V112 HydrophobicContact CD2-CG1 3.9Å; L107-V112 HydrophobicContact CD2-CG2 4.47Å; L107-V112 WeakPolarHBondContact O-CB 3.35Å; L107-V112 PolarHBondContact O-N 2.96Å; G110-V112 VanDerWaalsContact C-N 3.32Å; G110-V112 PolarHBondContact O-N 2.88Å
113A98.3Very high98.4Very high5 Ų527.4 Ų27.44%0.04116%0.16CC..  trans-142.7155.1-178.500000111.4D58 L107 I108 V116D58-A113 HydrophobicContact CB-CB 3.89Å; L107-A113 PolarHBondContact O-N 3Å; I108-A113 WeakPolarHBondContact CA-O 3.36Å; A113-V116 HydrophobicContact CB-CG2 3.49Å; A113-V116 VanDerWaalsContact CB-CG2 3.49Å
114E98.5Very high98.1Very high62 Ų6225.7 Ų25.729%0.2915%0.151SC..SBendtrans-97-30.9175-63.8-60.7132.700111.8R12 D58 A237 S238 F241R12-E114 IonicContact CZ-OE1 3.28Å; R12-E114 IonicContact CZ-OE2 3.85Å; R12-E114 IonicContact NH1-OE1 2.85Å; R12-E114 PolarHBondContact NH1-OE1 3.44Å; R12-E114 IonicContact NH2-OE1 3.38Å; R12-E114 PolarHBondContact NH2-OE1 2.84Å; R12-E114 IonicContact NH2-OE2 3.3Å; R12-E114 PolarHBondContact NH2-OE2 2.61Å; D58-E114 WeakPolarHBondContact OD2-CA 3.32Å; D58-E114 PolarHBondContact OD2-N 3.24Å; E114-A237 CarbonylContact O-C 3.49Å; E114-A237 VanDerWaalsContact O-CA 3.3Å; E114-A237 WeakPolarHBondContact O-CA 3.43Å; E114-S238 PolarHBondContact O-N 2.97Å; E114-S238 VanDerWaalsContact OE2-CB 3.28Å; E114-S238 WeakPolarHBondContact OE2-CB 3.47Å; E114-S238 PolarHBondContact OE2-OG 3.28Å; E114-F241 HydrophobicContact CB-CB 4.37Å; E114-F241 HydrophobicContact CB-CD2 4.06Å
115C98.8Very high97.8Very high0 Ų029.5 Ų29.50%018%0.178CC..EExtended strand (participates in β ladder)trans-140.5126.2179-178.40000111.4I52 A56 D58 L236 F241I52-C115 VanDerWaalsContact CD1-SG 3.56Å; A56-C115 WeakPolarHBondContact O-CB 3.44Å; D58-C115 WeakPolarHBondContact CB-O 3.37Å; D58-C115 PolarHBondContact N-O 3.36Å; D58-C115 PolarHBondContact OD2-N 3.37Å; C115-L236 CarbonylContact C-O 3.44Å; C115-L236 WeakPolarHBondContact CA-O 3.49Å; C115-F241 HydrophobicContact CB-CD2 3.8Å; C115-F241 HydrophobicContact CB-CE1 4.28Å; C115-F241 HydrophobicContact CB-CE2 3.49Å; C115-F241 VanDerWaalsContact CB-CE2 3.49Å; C115-F241 HydrophobicContact CB-CG 4.31Å; C115-F241 HydrophobicContact CB-CZ 3.76Å
116V98.9Very high97.3Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-132.2135.2-175.2-175.90000110.7Q59 A104 L107 I108 A113 L236Q59-V116 HydrophobicContact CB-CG1 4.42Å; Q59-V116 HydrophobicContact CB-CG2 4.41Å; Q59-V116 WeakPolarHBondContact O-CA 3.44Å; Q59-V116 WeakPolarHBondContact O-CG1 3.35Å; A104-V116 HydrophobicContact CB-CB 4.15Å; A104-V116 HydrophobicContact CB-CG1 3.54Å; L107-V116 HydrophobicContact CB-CG2 4.15Å; L107-V116 HydrophobicContact CD1-CG1 4.13Å; L107-V116 HydrophobicContact CD1-CG2 4.42Å; I108-V116 HydrophobicContact CD1-CB 4.26Å; I108-V116 HydrophobicContact CD1-CG2 4.07Å; I108-V116 HydrophobicContact CG1-CB 4.39Å; I108-V116 HydrophobicContact CG1-CG2 3.72Å; A113-V116 HydrophobicContact CB-CG2 3.49Å; A113-V116 VanDerWaalsContact CB-CG2 3.49Å; V116-L236 PolarHBondContact N-O 2.85Å; V116-L236 PolarHBondContact O-N 2.87Å
117L98.9Very high96.6Very high0 Ų032 Ų320%020%0.202CC..EExtended strand (participates in β ladder)trans-89.8118.7171.3171.464000110Y54 V57 Q59 A60 C61 I76 L80 L119 A233 I235Y54-L117 HydrophobicContact CE2-CD2 4.08Å; V57-L117 HydrophobicContact CG1-CB 3.83Å; Q59-L117 PolarHBondContact O-N 3.49Å; A60-L117 CarbonylContact C-O 3.59Å; A60-L117 VanDerWaalsContact CA-O 3.27Å; A60-L117 WeakPolarHBondContact CA-O 3.4Å; A60-L117 HydrophobicContact CB-CB 4.18Å; A60-L117 HydrophobicContact CB-CD2 4.39Å; C61-L117 PolarHBondContact N-O 2.87Å; I76-L117 HydrophobicContact CD1-CD2 4.39Å; L80-L117 HydrophobicContact CD1-CD2 3.65Å; L117-L119 HydrophobicContact CD1-CB 4.37Å; L117-L119 HydrophobicContact CD2-CB 4.43Å; L117-L119 HydrophobicContact CG-CB 4.19Å; L117-A233 HydrophobicContact CD1-CB 4.1Å; L117-I235 HydrophobicContact CB-CD1 4.25Å; L117-I235 HydrophobicContact CD1-CD1 3.61Å
118A98.9Very high95.8Very high0 Ų034.6 Ų34.60%022%0.222CC..EExtended strand (participates in β ladder)trans-96.7119.6161.300000108.7C61 A100 L101 A104 A233 A234 L236 L362C61-A118 WeakPolarHBondContact O-CA 3.16Å; A100-A118 HydrophobicContact CB-CB 4.49Å; L101-A118 HydrophobicContact CD1-CB 4.47Å; A104-A118 HydrophobicContact CB-CB 4.02Å; A118-A233 CarbonylContact O-C 3.57Å; A118-A233 WeakPolarHBondContact O-CA 3.49Å; A118-A234 PolarHBondContact N-O 2.76Å; A118-A234 PolarHBondContact O-N 2.99Å; A118-L236 HydrophobicContact CB-CD1 3.95Å; A118-L362 HydrophobicContact CB-CD2 3.76Å
119L98.9Very high95.2Very high0 Ų038.8 Ų38.80%024%0.244CC..EExtended strand (participates in β ladder)trans-126.4139-177.8172.366.2000109.3A39 A42 C61 V62 G63 I76 L117 F121 A233A39-L119 HydrophobicContact CB-CD1 4.27Å; A39-L119 HydrophobicContact CB-CD2 4.11Å; A42-L119 HydrophobicContact CB-CD1 4.46Å; C61-L119 PolarHBondContact O-N 3.4Å; V62-L119 CarbonylContact C-O 3.6Å; V62-L119 VanDerWaalsContact CA-O 3.23Å; V62-L119 WeakPolarHBondContact CA-O 3.46Å; V62-L119 HydrophobicContact CG1-CB 4.37Å; V62-L119 HydrophobicContact CG1-CD2 4.14Å; V62-L119 HydrophobicContact CG1-CG 4.22Å; V62-L119 HydrophobicContact CG2-CB 4.44Å; V62-L119 HydrophobicContact CG2-CD2 4.48Å; G63-L119 PolarHBondContact N-O 2.93Å; I76-L119 HydrophobicContact CD1-CD2 4.23Å; I76-L119 HydrophobicContact CG1-CD2 3.88Å; L117-L119 HydrophobicContact CD1-CB 4.37Å; L117-L119 HydrophobicContact CD2-CB 4.43Å; L117-L119 HydrophobicContact CG-CB 4.19Å; L119-F121 HydrophobicContact CG-CD1 4.47Å; L119-A233 HydrophobicContact CD1-CB 3.87Å
120G98.9Very high94.3Very high0 Ų040 Ų400%026%0.264CS..EExtended strand (participates in β ladder)trans-142.2139.5177.400000111.2G63 A231 A232 G358 A359G63-G120 WeakPolarHBondContact O-CA 3.17Å; G120-A231 CarbonylContact O-C 3.55Å; G120-A231 WeakPolarHBondContact O-CA 3.47Å; G120-A231 WeakPolarHBondContact O-CB 3.5Å; G120-A232 PolarHBondContact N-O 2.87Å; G120-A232 PolarHBondContact O-N 3.46Å; G120-A232 VanDerWaalsContact O-O 3.1Å; G120-G358 VanDerWaalsContact CA-O 3.29Å; G120-G358 WeakPolarHBondContact CA-O 3.25Å; G120-A359 WeakPolarHBondContact O-CB 3.26Å
121F98.8Very high93.6Very high2 Ų242.7 Ų42.71%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-148.4158179.759.2-100.6000111.1Y35 A39 V62 G63 Y64 C71 A75 L119 G230 A231Y35-F121 HydrophobicContact CD2-CD2 4.19Å; Y35-F121 AromaticContact CD2-CE2 3.57Å; Y35-F121 HydrophobicContact CD2-CE2 3.57Å; Y35-F121 AromaticContact CD2-CZ 3.78Å; Y35-F121 HydrophobicContact CD2-CZ 3.78Å; Y35-F121 HydrophobicContact CE2-CE2 4.41Å; Y35-F121 HydrophobicContact CE2-CZ 4.34Å; Y35-F121 HydrophobicContact CG-CD2 4.32Å; Y35-F121 AromaticContact CG-CE2 3.97Å; Y35-F121 HydrophobicContact CG-CE2 3.97Å; A39-F121 HydrophobicContact CB-CD1 3.8Å; A39-F121 HydrophobicContact CB-CE1 4.36Å; A39-F121 HydrophobicContact CB-CG 4.36Å; V62-F121 HydrophobicContact CG1-CD1 4.22Å; V62-F121 HydrophobicContact CG1-CE1 3.57Å; V62-F121 HydrophobicContact CG1-CZ 4.41Å; G63-F121 PolarHBondContact O-N 2.96Å; Y64-F121 WeakPolarHBondContact CB-O 3.41Å; Y64-F121 HydrophobicContact CD1-CE1 4.28Å; Y64-F121 HydrophobicContact CD1-CE2 4.09Å; Y64-F121 AromaticContact CD1-CZ 3.65Å; Y64-F121 HydrophobicContact CD1-CZ 3.65Å; Y64-F121 HydrophobicContact CE1-CZ 4.36Å; Y64-F121 AromaticContact CG-CE2 3.88Å; Y64-F121 HydrophobicContact CG-CE2 3.88Å; Y64-F121 AromaticContact CG-CZ 3.95Å; Y64-F121 HydrophobicContact CG-CZ 3.95Å; C71-F121 HydrophobicContact CB-CE2 4.33Å; C71-F121 HydrophobicContact CB-CZ 4.01Å; A75-F121 HydrophobicContact CB-CD1 4.3Å; A75-F121 HydrophobicContact CB-CE1 3.58Å; A75-F121 HydrophobicContact CB-CZ 4.03Å; L119-F121 HydrophobicContact CG-CD1 4.47Å; F121-G230 WeakPolarHBondContact CA-O 3.3Å; F121-A231 HydrophobicContact CB-CB 3.7Å
122E98.1Very high93.1Very high0 Ų047.5 Ų47.50%027%0.274CS..EExtended strand (participates in β ladder)trans-146.1140.4168.9-151.466.3-112.500110V65 F66 M124 D229 G230 P356 L357 G358V65-E122 PolarHBondContact N-OE1 2.94Å; V65-E122 PolarHBondContact N-OE2 2.94Å; F66-E122 WeakPolarHBondContact CB-OE1 3.15Å; F66-E122 HydrophobicContact CD2-CG 4.39Å; F66-E122 PolarHBondContact N-OE1 3.35Å; E122-M124 HydrophobicContact CB-CG 4.16Å; E122-M124 HydrophobicContact CG-CG 3.48Å; E122-M124 VanDerWaalsContact CG-CG 3.48Å; E122-M124 HydrophobicContact CG-SD 4.16Å; E122-D229 WeakPolarHBondContact O-CA 3.33Å; E122-G230 PolarHBondContact N-O 3.29Å; E122-G230 PolarHBondContact O-N 2.86Å; E122-G230 VanDerWaalsContact O-N 3.09Å; E122-P356 HydrophobicContact CB-CB 3.61Å; E122-L357 HydrophobicContact CG-CB 4.31Å; E122-L357 HydrophobicContact CG-CG 4.41Å; E122-L357 WeakPolarHBondContact OE2-CB 3.1Å; E122-G358 PolarHBondContact OE2-N 3.42Å
123K96.1Very high92.8Very high79 Ų7949.6 Ų49.634%0.34328%0.275SS..  trans-120.9108.1164.5-176.8172.4176.4173.60108D34D34-K123 WeakPolarHBondContact OD1-CD 3.37Å; D34-K123 WeakPolarHBondContact OD1-CE 3.36Å; D34-K123 IonicContact OD1-NZ 3.5Å; D34-K123 PolarHBondContact OD1-NZ 2.87Å; D34-K123 IonicContact OD2-NZ 2.6Å; D34-K123 PolarHBondContact OD2-NZ 3.23Å
124M94.6Very high92.4Very high16 Ų1654.6 Ų54.68%0.07931%0.31CS..  trans-101.2179.1-169.3-60.5-173.180.400111.6P27 F66 E122 L129 T227 S228 D229 L357P27-M124 HydrophobicContact CG-CB 4.02Å; F66-M124 HydrophobicContact CE2-CE 4.44Å; E122-M124 HydrophobicContact CB-CG 4.16Å; E122-M124 HydrophobicContact CG-CG 3.48Å; E122-M124 VanDerWaalsContact CG-CG 3.48Å; E122-M124 HydrophobicContact CG-SD 4.16Å; M124-L129 HydrophobicContact CE-CD2 3.37Å; M124-L129 HydrophobicContact CE-CG 4.32Å; M124-T227 HydrophobicContact CE-CG2 3.79Å; M124-T227 HydrophobicContact SD-CG2 4.44Å; M124-S228 WeakPolarHBondContact CG-O 3.43Å; M124-D229 PolarHBondContact N-OD1 2.88Å; M124-L357 HydrophobicContact CE-CD1 4.28Å; M124-L357 HydrophobicContact CE-CD2 4.2Å; M124-L357 HydrophobicContact CE-CG 3.97Å; M124-L357 HydrophobicContact SD-CG 4.47Å
125S90.6Very high92.3Very high81 Ų8157.1 Ų57.157%0.56633%0.325SS*.  trans-109.1155.5169.9-60.90000109.8T227S125-T227 PolarHBondContact O-OG1 3.04Å
126K88.6Confident92.1Very high131 Ų13164.7 Ų64.757%0.5735%0.354SS*.SBendtrans-65137.8173.4-66.5179.8-176.7173.50110.2P27P27-K126 HydrophobicContact CB-CG 4.18Å; P27-K126 WeakPolarHBondContact O-CE 3.44Å; P27-K126 WeakPolarHBondContact O-CG 3.25Å
127G85.4Confident92Very high48 Ų4869.9 Ų69.950%0.49539%0.386SS..SBendtrans99.9-174.7175.100000112.4T227G127-T227 WeakPolarHBondContact O-CG2 3.29Å
128S82Confident91.8Very high77 Ų7772.5 Ų72.554%0.53840%0.399SS..SBendtrans-67.6151.8-178.2-58.50000112.4G130 P157S128-G130 PolarHBondContact O-N 3.35Å; S128-P157 WeakPolarHBondContact OG-CB 3.37Å; S128-P157 VanDerWaalsContact OG-CG 3.23Å; S128-P157 WeakPolarHBondContact OG-CG 3.07Å
129L85.4Confident91.7Very high89 Ų8977.1 Ų77.147%0.46643%0.43SS..  trans-58.5134.1174-66-179.5000110.9F66 M124 L357F66-L129 HydrophobicContact CE2-CD2 3.76Å; F66-L129 HydrophobicContact CZ-CD2 3.95Å; M124-L129 HydrophobicContact CE-CD2 3.37Å; M124-L129 HydrophobicContact CE-CG 4.32Å; L129-L357 HydrophobicContact CD1-CD1 4.15Å; L129-L357 HydrophobicContact CD1-CD2 4.39Å
130G79.4Confident91.5Very high55 Ų5578.5 Ų78.557%0.56744%0.438SS*.  trans-116.2161176.500000111.9S128 K132S128-G130 PolarHBondContact O-N 3.35Å; G130-K132 PolarHBondContact O-N 2.86Å
131I82.9Confident91.4Very high114 Ų11481.2 Ų81.259%0.58545%0.452SS*.  trans-71.4124.9174.2-61.3162.8000108.4F133 I138I131-F133 VanDerWaalsContact CG2-O 3.31Å; I131-F133 WeakPolarHBondContact CG2-O 3.22Å; I131-I138 HydrophobicContact CD1-CD1 3.67Å; I131-I138 HydrophobicContact CG1-CD1 4.48Å
132K85.8Confident91.3Very high136 Ų13686.5 Ų86.559%0.59148%0.475SS*.SBendtrans-92.3-36.8177.3-67.6-67.3-173.3176.20112.9F66 G130F66-K132 HydrophobicContact CD1-CG 4.38Å; F66-K132 HydrophobicContact CE1-CG 4.1Å; G130-K132 PolarHBondContact O-N 2.86Å
133F90.1Very high91.3Very high146 Ų14686.7 Ų86.764%0.6448%0.476SS*.  trans-113.1107.3179.8-56.6-71.2000109.4I131 R136I131-F133 VanDerWaalsContact CG2-O 3.31Å; I131-F133 WeakPolarHBondContact CG2-O 3.22Å; F133-R136 HydrophobicContact CB-CG 4.42Å
134S91.6Very high91.3Very high111 Ų11184.1 Ų84.178%0.77647%0.466SS*.  trans-105.83.5-179.455.10000113.6
135D95.2Very high91.4Very high114 Ų11486.2 Ų86.261%0.6148%0.478SS*.SBendtrans-94.57.5-176.669.5-31.5000113.4
136R95.5Very high91.7Very high160 Ų16083 Ų8360%0.60446%0.455SS*.SBendtrans-154.1172.1-174.765.8-163.767.1-149.2-6.3111.4F133 I138F133-R136 HydrophobicContact CB-CG 4.42Å; R136-I138 PolarHBondContact O-N 2.81Å
137T96.6Very high92.1Very high108 Ų10876.8 Ų76.866%0.66343%0.428SS*.  trans-55.1130174.9-53.80000111.3D141T137-D141 WeakPolarHBondContact CG2-OD2 3.5Å
138I95.3Very high92.7Very high55 Ų5577.8 Ų77.828%0.28242%0.421SS..  trans-80127.2175.9-63.6163.2000107.7I131 R136 T140 D141I131-I138 HydrophobicContact CD1-CD1 3.67Å; I131-I138 HydrophobicContact CG1-CD1 4.48Å; R136-I138 PolarHBondContact O-N 2.81Å; I138-T140 PolarHBondContact O-N 3.41Å; I138-D141 HydrophobicContact CB-CB 4.41Å; I138-D141 WeakPolarHBondContact O-CB 3.4Å; I138-D141 VanDerWaalsContact O-CG 3.25Å; I138-D141 PolarHBondContact O-N 3.17Å
139P95.8Very high93.4Very high98 Ų9880.8 Ų80.864%0.63643%0.431SS*.THydrogen-bonded Turntrans-60.6-16.2-174.2-26.735000116
140T95.6Very high93.9Very high28 Ų2880.4 Ų80.417%0.17243%0.426CS..THydrogen-bonded Turntrans-110.414.9179.658.20000112.9I138 K142 H143 L144I138-T140 PolarHBondContact O-N 3.41Å; T140-K142 VanDerWaalsContact C-N 3.34Å; T140-K142 PolarHBondContact O-N 2.99Å; T140-H143 WeakPolarHBondContact O-CB 3.45Å; T140-H143 PolarHBondContact O-N 2.95Å; T140-L144 WeakPolarHBondContact O-CG 3.2Å; T140-L144 PolarHBondContact O-N 2.88Å
141D95.4Very high94.7Very high57 Ų5779.9 Ų79.931%0.30541%0.407SS..Hα-helixtrans-60.1-41.5179.467.7-17.3000112.2T137 I138 L144 D145T137-D141 WeakPolarHBondContact CG2-OD2 3.5Å; I138-D141 HydrophobicContact CB-CB 4.41Å; I138-D141 WeakPolarHBondContact O-CB 3.4Å; I138-D141 VanDerWaalsContact O-CG 3.25Å; I138-D141 PolarHBondContact O-N 3.17Å; D141-L144 CarbonylContact O-C 3.54Å; D141-L144 WeakPolarHBondContact O-CA 3.37Å; D141-L144 WeakPolarHBondContact O-CB 3.2Å; D141-L144 PolarHBondContact O-N 3.44Å; D141-L144 VanDerWaalsContact O-N 3.15Å; D141-D145 PolarHBondContact O-N 3.16Å
142K97.3Very high95.3Very high114 Ų11475.7 Ų75.750%0.49639%0.392SS..Hα-helixtrans-71.5-32.7176.3-62.9-48.2179.5-175.40114T140 L144 D145 F267T140-K142 VanDerWaalsContact C-N 3.34Å; T140-K142 PolarHBondContact O-N 2.99Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-D145 VanDerWaalsContact CD-OD2 3.22Å; K142-D145 WeakPolarHBondContact CD-OD2 3.43Å; K142-D145 IonicContact NZ-OD2 3.21Å; K142-D145 PolarHBondContact NZ-OD2 2.81Å; K142-D145 PolarHBondContact O-N 3.49Å; K142-F267 HydrophobicContact CB-CD1 4.24Å; K142-F267 HydrophobicContact CB-CE1 4.01Å
143H97.5Very high95.7Very high3 Ų373.6 Ų73.61%0.01439%0.386CS..Hα-helixtrans-62.2-40167.7-65.481.5000110.7T140 V146 M162 D262 F267 M275 G395T140-H143 WeakPolarHBondContact O-CB 3.45Å; T140-H143 PolarHBondContact O-N 2.95Å; H143-V146 PolarHBondContact O-N 3.01Å; H143-M162 HydrophobicContact CB-CE 4.29Å; H143-D262 IonicContact CD2-OD1 3.67Å; H143-D262 IonicContact CE1-OD1 3.64Å; H143-D262 IonicContact CE1-OD2 2.74Å; H143-D262 IonicContact NE2-OD1 3.7Å; H143-D262 PolarHBondContact NE2-OD1 3.37Å; H143-D262 IonicContact NE2-OD2 2.86Å; H143-D262 PolarHBondContact NE2-OD2 2.84Å; H143-F267 AromaticContact CD2-CE1 3.94Å; H143-F267 AromaticContact CE1-CE1 3.69Å; H143-F267 AromaticContact CE1-CZ 3.52Å; H143-F267 AromaticContact CG-CE1 3.94Å; H143-F267 AromaticContact ND1-CE1 3.81Å; H143-F267 AromaticContact NE2-CE1 3.78Å; H143-F267 AromaticContact NE2-CZ 3.67Å; H143-M275 HydrophobicContact CB-CG 3.92Å; H143-M275 HydrophobicContact CB-SD 3.69Å; H143-M275 PolarHBondContact CD2-O 3.28Å; H143-M275 WeakPolarHBondContact O-CG 3.45Å; H143-G395 PolarHBondContact CE1-O 3.05Å
144L95.8Very high95.9Very high26 Ų2668.6 Ų68.614%0.13637%0.37CS..Hα-helixtrans-69.1-36.5177.3-74.3169.4000113.4T140 D141 K142 V146 L147 I148 V158 M162T140-L144 WeakPolarHBondContact O-CG 3.2Å; T140-L144 PolarHBondContact O-N 2.88Å; D141-L144 CarbonylContact O-C 3.54Å; D141-L144 WeakPolarHBondContact O-CA 3.37Å; D141-L144 WeakPolarHBondContact O-CB 3.2Å; D141-L144 PolarHBondContact O-N 3.44Å; D141-L144 VanDerWaalsContact O-N 3.15Å; K142-L144 VanDerWaalsContact C-N 3.27Å; L144-V146 PolarHBondContact O-N 2.74Å; L144-L147 PolarHBondContact O-N 2.78Å; L144-L147 VanDerWaalsContact O-N 3.12Å; L144-I148 HydrophobicContact CB-CD1 4.19Å; L144-I148 WeakPolarHBondContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CD1 3.16Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 2.96Å; L144-V158 HydrophobicContact CD1-CG1 4.39Å; L144-V158 HydrophobicContact CD2-CG1 3.51Å; L144-V158 HydrophobicContact CG-CG1 4.43Å; L144-M162 HydrophobicContact CD2-CE 3.5Å; L144-M162 VanDerWaalsContact CD2-CE 3.5Å; L144-M162 HydrophobicContact CG-CE 3.71Å
145D97.2Very high95.9Very high60 Ų6068.7 Ų68.732%0.32138%0.377SS..Hα-helixtrans-54.6-41.8175-75.7-17.3000111D141 K142 N149D141-D145 PolarHBondContact O-N 3.16Å; K142-D145 VanDerWaalsContact CD-OD2 3.22Å; K142-D145 WeakPolarHBondContact CD-OD2 3.43Å; K142-D145 IonicContact NZ-OD2 3.21Å; K142-D145 PolarHBondContact NZ-OD2 2.81Å; K142-D145 PolarHBondContact O-N 3.49Å; D145-N149 VanDerWaalsContact O-CB 3.25Å; D145-N149 WeakPolarHBondContact O-CB 3.33Å; D145-N149 PolarHBondContact O-N 2.93Å; D145-N149 PolarHBondContact O-ND2 3.24Å
146V97.8Very high95.8Very high14 Ų1467.7 Ų67.79%0.08537%0.369CS..Hα-helixtrans-61.9-45.9177.7179.30000111.4H143 L144 K150 F267 M275H143-V146 PolarHBondContact O-N 3.01Å; L144-V146 PolarHBondContact O-N 2.74Å; V146-K150 PolarHBondContact O-N 3.46Å; V146-F267 HydrophobicContact CG2-CD1 4.26Å; V146-M275 HydrophobicContact CB-CB 4.34Å; V146-M275 HydrophobicContact CB-CG 4.12Å; V146-M275 HydrophobicContact CG1-CB 4.08Å; V146-M275 HydrophobicContact CG1-CG 4.4Å; V146-M275 HydrophobicContact CG2-CG 4.44Å
147L96.9Very high95.7Very high0 Ų062.3 Ų62.30%035%0.354CS..Hα-helixtrans-65.6-49179179.4133.7000111.9L144 N149 K150 Y151 G152 L153 M162 Y165 V272 M275L144-L147 PolarHBondContact O-N 2.78Å; L144-L147 VanDerWaalsContact O-N 3.12Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.13Å; L147-K150 PolarHBondContact O-N 2.89Å; L147-Y151 PolarHBondContact O-N 2.94Å; L147-G152 WeakPolarHBondContact CD2-O 3.33Å; L147-G152 PolarHBondContact O-N 2.85Å; L147-L153 HydrophobicContact CD2-CD1 3.91Å; L147-M162 VanDerWaalsContact CD1-CA 3.4Å; L147-M162 HydrophobicContact CD1-CB 4.24Å; L147-M162 HydrophobicContact CD1-CG 3.97Å; L147-Y165 HydrophobicContact CD1-CD2 3.87Å; L147-Y165 HydrophobicContact CD2-CD2 4.36Å; L147-Y165 HydrophobicContact CG-CD2 4.03Å; L147-V272 HydrophobicContact CD1-CG1 4.27Å; L147-M275 HydrophobicContact CB-CE 4.33Å; L147-M275 HydrophobicContact CD1-CE 4.31Å
148I97.1Very high95.6Very high69 Ų6959.9 Ų59.935%0.35434%0.34SS..Hα-helixtrans-59.1-46.6-179.3-70.2163.1000110.2L144 K150 G152 L153L144-I148 HydrophobicContact CB-CD1 4.19Å; L144-I148 WeakPolarHBondContact O-CB 3.31Å; L144-I148 WeakPolarHBondContact O-CD1 3.16Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 2.96Å; I148-K150 VanDerWaalsContact C-N 3.26Å; I148-K150 PolarHBondContact O-N 3.29Å; I148-G152 VanDerWaalsContact O-CA 3.23Å; I148-G152 WeakPolarHBondContact O-CA 3.22Å; I148-G152 PolarHBondContact O-N 2.69Å; I148-L153 HydrophobicContact CG1-CB 3.97Å
149N96.8Very high95.6Very high139 Ų13959.2 Ų59.274%0.74334%0.342SS*.Hα-helixtrans-67.4-25.5-177.8-73.6-39.6000113.3D145 L147D145-N149 VanDerWaalsContact O-CB 3.25Å; D145-N149 WeakPolarHBondContact O-CB 3.33Å; D145-N149 PolarHBondContact O-N 2.93Å; D145-N149 PolarHBondContact O-ND2 3.24Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.13Å
150K96.6Very high95.7Very high82 Ų8254.9 Ų54.936%0.35731%0.314SS..Hα-helixtrans-95.3-46.4-177.8-170.3168-178.4172.10113.8V146 L147 I148 E169 K270 V272V146-K150 PolarHBondContact O-N 3.46Å; L147-K150 PolarHBondContact O-N 2.89Å; I148-K150 VanDerWaalsContact C-N 3.26Å; I148-K150 PolarHBondContact O-N 3.29Å; K150-E169 IonicContact NZ-OE1 2.79Å; K150-E169 PolarHBondContact NZ-OE1 2.95Å; K150-E169 IonicContact NZ-OE2 3.2Å; K150-E169 PolarHBondContact NZ-OE2 3.43Å; K150-K270 VanDerWaalsContact CD-O 3.31Å; K150-K270 WeakPolarHBondContact CD-O 3.38Å; K150-K270 PolarHBondContact NZ-O 3.46Å; K150-V272 HydrophobicContact CD-CG2 4.11Å
151Y96.6Very high95.8Very high43 Ų4353.6 Ų53.617%0.16931%0.306CS..Hα-helixtrans-124.2-5-172.8-65.7-69.5000113.9L147 Y165 K168 E169 E172 V272L147-Y151 PolarHBondContact O-N 2.94Å; Y151-Y165 HydrophobicContact CD1-CD1 4.08Å; Y151-Y165 HydrophobicContact CD1-CE1 4.27Å; Y151-Y165 HydrophobicContact CD2-CD1 4.01Å; Y151-Y165 HydrophobicContact CD2-CD2 4.38Å; Y151-Y165 AromaticContact CD2-CG 3.8Å; Y151-Y165 HydrophobicContact CD2-CG 3.8Å; Y151-Y165 AromaticContact CG-CD1 3.68Å; Y151-Y165 HydrophobicContact CG-CD1 3.68Å; Y151-Y165 HydrophobicContact CG-CD2 4.31Å; Y151-Y165 HydrophobicContact CG-CE1 4.01Å; Y151-Y165 AromaticContact CG-CG 3.85Å; Y151-Y165 HydrophobicContact CG-CG 3.85Å; Y151-Y165 PolarHBondContact O-OH 2.94Å; Y151-K168 HydrophobicContact CE1-CD 4.24Å; Y151-E169 HydrophobicContact CE2-CB 4.47Å; Y151-E169 WeakPolarHBondContact OH-CB 3.42Å; Y151-E172 PolarHBondContact OH-OE2 3.05Å; Y151-V272 HydrophobicContact CD2-CG2 3.75Å; Y151-V272 HydrophobicContact CE2-CG2 3.69Å
152G95.8Very high95.9Very high27 Ų2751.2 Ų51.228%0.27829%0.293SS..  trans76.7-179.8-172.600000112.9L147 I148L147-G152 WeakPolarHBondContact CD2-O 3.33Å; L147-G152 PolarHBondContact O-N 2.85Å; I148-G152 VanDerWaalsContact O-CA 3.23Å; I148-G152 WeakPolarHBondContact O-CA 3.22Å; I148-G152 PolarHBondContact O-N 2.69Å
153L94.4Very high95.9Very high91 Ų9146.2 Ų46.248%0.47627%0.272SS..  trans-126.1136.9175.5-171.772.1000109.5L147 I148L147-L153 HydrophobicContact CD2-CD1 3.91Å; I148-L153 HydrophobicContact CG1-CB 3.97Å
154S93.4Very high96Very high41 Ų4146.1 Ų46.129%0.28727%0.271SS..  trans-112.5172.8176.471.70000111.3H156 Q161S154-H156 PolarHBondContact O-N 3.25Å; S154-H156 PolarHBondContact OG-ND1 3.21Å; S154-Q161 PolarHBondContact O-NE2 3.17Å; S154-Q161 VanDerWaalsContact OG-CD 3.29Å; S154-Q161 PolarHBondContact OG-OE1 2.87Å
155A92.2Very high96.1Very high113 Ų11346.1 Ų46.193%0.93427%0.269SS*.SBendtrans-71.49.1178.900000114.9
156H93.3Very high96.2Very high93 Ų9343.2 Ų43.243%0.43125%0.254SS..SBendtrans-79.1163.5175.5-62.488.8000111.3S154 Q161 V215 F216S154-H156 PolarHBondContact O-N 3.25Å; S154-H156 PolarHBondContact OG-ND1 3.21Å; H156-Q161 HydrophobicContact CB-CG 4.09Å; H156-Q161 PolarHBondContact O-NE2 3.28Å; H156-V215 PolarHBondContact CD2-O 2.97Å; H156-V215 VanDerWaalsContact CD2-O 3.29Å; H156-F216 HydrophobicContact CB-CD2 3.91Å; H156-F216 AromaticContact CG-CD2 3.78Å; H156-F216 AromaticContact ND1-CD2 3.86Å
157P93.1Very high96.2Very high47 Ų4742.6 Ų42.631%0.30525%0.25SC..  trans-57.9143.5173.1-23.234.1000112.1S128 P160 Q161S128-P157 WeakPolarHBondContact OG-CB 3.37Å; S128-P157 VanDerWaalsContact OG-CG 3.23Å; S128-P157 WeakPolarHBondContact OG-CG 3.07Å; P157-P160 HydrophobicContact CB-CG 4.11Å; P157-P160 WeakPolarHBondContact O-CD 3.48Å; P157-Q161 WeakPolarHBondContact O-CG 3.49Å; P157-Q161 PolarHBondContact O-N 2.98Å
158V94.4Very high96.3Very high58 Ų5845.5 Ų45.535%0.35226%0.263SS..Hα-helixtrans-65.8-45.3-169.9169.90000113.3L144 Q161 M162L144-V158 HydrophobicContact CD1-CG1 4.39Å; L144-V158 HydrophobicContact CD2-CG1 3.51Å; L144-V158 HydrophobicContact CG-CG1 4.43Å; V158-Q161 WeakPolarHBondContact O-CA 2.98Å; V158-Q161 WeakPolarHBondContact O-CB 3Å; V158-Q161 PolarHBondContact O-N 3.26Å; V158-M162 HydrophobicContact CG1-CE 3.9Å; V158-M162 HydrophobicContact CG1-CG 4.3Å; V158-M162 HydrophobicContact CG1-SD 4.15Å; V158-M162 PolarHBondContact O-N 3.17Å
159A95.4Very high96.4Very high40 Ų4043 Ų4333%0.33125%0.25SC..Hα-helixtrans-61.9-47.2-176.500000113.2Q161 M162 F163 F308A159-Q161 PolarHBondContact O-N 3.37Å; A159-M162 PolarHBondContact O-N 2.83Å; A159-M162 VanDerWaalsContact O-N 3.17Å; A159-F163 WeakPolarHBondContact O-CD2 3.34Å; A159-F163 PolarHBondContact O-N 2.93Å; A159-F308 HydrophobicContact CB-CE2 4.12Å; A159-F308 HydrophobicContact CB-CZ 4.11Å
160P96.6Very high96.5Very high8 Ų836.4 Ų36.45%0.05221%0.214CC..Hα-helixtrans-56.2-33.3170.6-25.632000114.1P157 G164 V215 F216 F308P157-P160 HydrophobicContact CB-CG 4.11Å; P157-P160 WeakPolarHBondContact O-CD 3.48Å; P160-G164 WeakPolarHBondContact O-CA 3.33Å; P160-G164 PolarHBondContact O-N 2.63Å; P160-V215 HydrophobicContact CB-CG1 3.82Å; P160-V215 HydrophobicContact CG-CG1 3.77Å; P160-F216 HydrophobicContact CB-CB 3.86Å; P160-F216 VanDerWaalsContact O-CD1 3.3Å; P160-F216 WeakPolarHBondContact O-CD1 3.48Å; P160-F308 HydrophobicContact CB-CE1 4.05Å; P160-F308 HydrophobicContact CB-CZ 4.33Å; P160-F308 HydrophobicContact CG-CE1 3.84Å; P160-F308 HydrophobicContact CG-CZ 3.88Å
161Q97.6Very high96.6Very high0 Ų034.3 Ų34.30%021%0.206CC..Hα-helixtrans-67.9-45.1175.6-66.3-172.78300111.9S154 H156 P157 V158 A159 Y165 F216S154-Q161 PolarHBondContact O-NE2 3.17Å; S154-Q161 VanDerWaalsContact OG-CD 3.29Å; S154-Q161 PolarHBondContact OG-OE1 2.87Å; H156-Q161 HydrophobicContact CB-CG 4.09Å; H156-Q161 PolarHBondContact O-NE2 3.28Å; P157-Q161 WeakPolarHBondContact O-CG 3.49Å; P157-Q161 PolarHBondContact O-N 2.98Å; V158-Q161 WeakPolarHBondContact O-CA 2.98Å; V158-Q161 WeakPolarHBondContact O-CB 3Å; V158-Q161 PolarHBondContact O-N 3.26Å; A159-Q161 PolarHBondContact O-N 3.37Å; Q161-Y165 HydrophobicContact CB-CD2 4.47Å; Q161-Y165 WeakPolarHBondContact O-CB 3.34Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.31Å; Q161-Y165 PolarHBondContact O-N 3.49Å; Q161-F216 HydrophobicContact CB-CD1 4.48Å; Q161-F216 HydrophobicContact CB-CE1 4.25Å; Q161-F216 HydrophobicContact CB-CZ 4.27Å; Q161-F216 HydrophobicContact CG-CD1 4.25Å; Q161-F216 HydrophobicContact CG-CD2 3.71Å; Q161-F216 HydrophobicContact CG-CE1 4.17Å; Q161-F216 HydrophobicContact CG-CE2 3.63Å; Q161-F216 HydrophobicContact CG-CG 4.02Å; Q161-F216 HydrophobicContact CG-CZ 3.86Å
162M97.8Very high96.7Very high7 Ų737.7 Ų37.73%0.03422%0.224CC..Hα-helixtrans-55-54.6176.9-69.8177.1160.700111.8H143 L144 L147 V158 A159 A166 V272 M275 V276 L394H143-M162 HydrophobicContact CB-CE 4.29Å; L144-M162 HydrophobicContact CD2-CE 3.5Å; L144-M162 VanDerWaalsContact CD2-CE 3.5Å; L144-M162 HydrophobicContact CG-CE 3.71Å; L147-M162 VanDerWaalsContact CD1-CA 3.4Å; L147-M162 HydrophobicContact CD1-CB 4.24Å; L147-M162 HydrophobicContact CD1-CG 3.97Å; V158-M162 HydrophobicContact CG1-CE 3.9Å; V158-M162 HydrophobicContact CG1-CG 4.3Å; V158-M162 HydrophobicContact CG1-SD 4.15Å; V158-M162 PolarHBondContact O-N 3.17Å; A159-M162 PolarHBondContact O-N 2.83Å; A159-M162 VanDerWaalsContact O-N 3.17Å; M162-A166 WeakPolarHBondContact O-CB 3.36Å; M162-A166 PolarHBondContact O-N 2.96Å; M162-A166 VanDerWaalsContact O-N 3.11Å; M162-V272 VanDerWaalsContact O-CG1 3.32Å; M162-V272 WeakPolarHBondContact O-CG1 3.29Å; M162-M275 HydrophobicContact CB-CE 4.21Å; M162-M275 HydrophobicContact CG-CE 4.1Å; M162-V276 HydrophobicContact CB-CG1 4.15Å; M162-L394 HydrophobicContact SD-CD1 3.47Å; M162-L394 WeakPolarHBondContact SD-CD1 3.26Å
163F98.3Very high96.8Very high10 Ų1042.6 Ų42.64%0.04424%0.237CC..Hα-helixtrans-79-33.2-177-66.5-78.9000112.7A159 Y165 A166 G167 V276 F308 T310 N311 L394A159-F163 WeakPolarHBondContact O-CD2 3.34Å; A159-F163 PolarHBondContact O-N 2.93Å; F163-Y165 PolarHBondContact O-N 2.91Å; F163-A166 PolarHBondContact O-N 2.95Å; F163-G167 PolarHBondContact O-N 3.32Å; F163-V276 HydrophobicContact CD1-CB 4.12Å; F163-V276 HydrophobicContact CD1-CG1 4.15Å; F163-V276 HydrophobicContact CD1-CG2 4.25Å; F163-V276 HydrophobicContact CE1-CB 3.68Å; F163-V276 HydrophobicContact CE1-CG1 4.04Å; F163-V276 HydrophobicContact CE1-CG2 4.12Å; F163-V276 HydrophobicContact CZ-CB 4.28Å; F163-V276 HydrophobicContact CZ-CG1 4.44Å; F163-F308 HydrophobicContact CB-CB 3.98Å; F163-F308 HydrophobicContact CB-CD2 3.63Å; F163-F308 HydrophobicContact CB-CE2 4.37Å; F163-F308 HydrophobicContact CB-CG 3.89Å; F163-F308 HydrophobicContact CD1-CD2 4.48Å; F163-F308 AromaticContact CD2-CD2 3.22Å; F163-F308 HydrophobicContact CD2-CD2 3.22Å; F163-F308 AromaticContact CD2-CE2 3.41Å; F163-F308 HydrophobicContact CD2-CE2 3.41Å; F163-F308 VanDerWaalsContact CD2-CE2 3.41Å; F163-F308 HydrophobicContact CD2-CG 4.3Å; F163-F308 AromaticContact CE2-CD2 3.98Å; F163-F308 HydrophobicContact CE2-CD2 3.98Å; F163-F308 HydrophobicContact CE2-CE2 4.02Å; F163-F308 HydrophobicContact CG-CB 4.44Å; F163-F308 AromaticContact CG-CD2 3.52Å; F163-F308 HydrophobicContact CG-CD2 3.52Å; F163-F308 HydrophobicContact CG-CE2 4.16Å; F163-F308 HydrophobicContact CG-CG 4.25Å; F163-T310 VanDerWaalsContact O-CG2 3.28Å; F163-T310 WeakPolarHBondContact O-CG2 3.15Å; F163-N311 HydrophobicContact CD1-CB 3.75Å; F163-N311 HydrophobicContact CE1-CB 3.8Å; F163-N311 WeakPolarHBondContact CE1-OD1 3.25Å; F163-L394 HydrophobicContact CE2-CD1 4.05Å; F163-L394 HydrophobicContact CZ-CD1 4Å; F163-L394 HydrophobicContact CZ-CG 4.37Å
164G98.4Very high97Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-62.2-44.3174.400000112.1P160 G167 K168 F218P160-G164 WeakPolarHBondContact O-CA 3.33Å; P160-G164 PolarHBondContact O-N 2.63Å; G164-G167 PolarHBondContact O-N 2.72Å; G164-K168 PolarHBondContact O-N 2.87Å; G164-F218 VanDerWaalsContact O-CE1 3.29Å; G164-F218 WeakPolarHBondContact O-CE1 3.24Å
165Y98.6Very high97.2Very high26 Ų2642.4 Ų42.410%0.10224%0.241CC..Hα-helixtrans-71.4-31.8175.4-74.5-45.8000113.5L147 Y151 Q161 F163 G167 K168 E169 F216L147-Y165 HydrophobicContact CD1-CD2 3.87Å; L147-Y165 HydrophobicContact CD2-CD2 4.36Å; L147-Y165 HydrophobicContact CG-CD2 4.03Å; Y151-Y165 HydrophobicContact CD1-CD1 4.08Å; Y151-Y165 HydrophobicContact CD1-CE1 4.27Å; Y151-Y165 HydrophobicContact CD2-CD1 4.01Å; Y151-Y165 HydrophobicContact CD2-CD2 4.38Å; Y151-Y165 AromaticContact CD2-CG 3.8Å; Y151-Y165 HydrophobicContact CD2-CG 3.8Å; Y151-Y165 AromaticContact CG-CD1 3.68Å; Y151-Y165 HydrophobicContact CG-CD1 3.68Å; Y151-Y165 HydrophobicContact CG-CD2 4.31Å; Y151-Y165 HydrophobicContact CG-CE1 4.01Å; Y151-Y165 AromaticContact CG-CG 3.85Å; Y151-Y165 HydrophobicContact CG-CG 3.85Å; Y151-Y165 PolarHBondContact O-OH 2.94Å; Q161-Y165 HydrophobicContact CB-CD2 4.47Å; Q161-Y165 WeakPolarHBondContact O-CB 3.34Å; Q161-Y165 WeakPolarHBondContact O-CD2 3.31Å; Q161-Y165 PolarHBondContact O-N 3.49Å; F163-Y165 PolarHBondContact O-N 2.91Å; Y165-G167 VanDerWaalsContact C-N 3.26Å; Y165-G167 PolarHBondContact O-N 2.93Å; Y165-K168 HydrophobicContact CD1-CD 4Å; Y165-K168 HydrophobicContact CE1-CD 4.32Å; Y165-K168 PolarHBondContact O-N 3.5Å; Y165-E169 WeakPolarHBondContact O-CB 3.25Å; Y165-E169 PolarHBondContact O-N 3.06Å; Y165-F216 HydrophobicContact CD1-CE1 4.16Å; Y165-F216 HydrophobicContact CD1-CZ 4.25Å; Y165-F216 HydrophobicContact CD2-CE1 4.12Å; Y165-F216 HydrophobicContact CD2-CZ 4.05Å; Y165-F216 HydrophobicContact CE1-CE1 4.12Å; Y165-F216 AromaticContact CE1-CZ 3.75Å; Y165-F216 HydrophobicContact CE1-CZ 3.75Å; Y165-F216 HydrophobicContact CE2-CE1 4.09Å; Y165-F216 AromaticContact CE2-CZ 3.56Å; Y165-F216 HydrophobicContact CE2-CZ 3.56Å; Y165-F216 HydrophobicContact CG-CE1 4.17Å; Y165-F216 HydrophobicContact CG-CZ 4.39Å; Y165-F216 AromaticContact CZ-CZ 3.4Å; Y165-F216 VanDerWaalsContact CZ-CZ 3.4Å
166A98.8Very high97.5Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-60.9-39.1170.500000111.6M162 F163 E169 H170 V272 I273 V276 T310 L314M162-A166 WeakPolarHBondContact O-CB 3.36Å; M162-A166 PolarHBondContact O-N 2.96Å; M162-A166 VanDerWaalsContact O-N 3.11Å; F163-A166 PolarHBondContact O-N 2.95Å; A166-E169 PolarHBondContact O-N 3.45Å; A166-H170 PolarHBondContact O-N 2.85Å; A166-H170 VanDerWaalsContact O-N 3.08Å; A166-V272 HydrophobicContact CB-CB 4.44Å; A166-V272 HydrophobicContact CB-CG1 3.97Å; A166-I273 HydrophobicContact CB-CG1 4.35Å; A166-I273 WeakPolarHBondContact O-CG1 3.3Å; A166-V276 HydrophobicContact CB-CG1 4.35Å; A166-V276 HydrophobicContact CB-CG2 3.84Å; A166-T310 HydrophobicContact CB-CG2 4.42Å; A166-L314 HydrophobicContact CB-CD1 3.94Å
167G98.7Very high97.8Very high0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-70.6-40.1176.800000111.6F163 G164 Y165 E169 H170 M171 T310F163-G167 PolarHBondContact O-N 3.32Å; G164-G167 PolarHBondContact O-N 2.72Å; Y165-G167 VanDerWaalsContact C-N 3.26Å; Y165-G167 PolarHBondContact O-N 2.93Å; G167-E169 VanDerWaalsContact C-N 3.35Å; G167-E169 PolarHBondContact O-N 3Å; G167-H170 WeakPolarHBondContact O-CB 3.38Å; G167-H170 PolarHBondContact O-N 2.86Å; G167-H170 VanDerWaalsContact O-N 3.11Å; G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.11Å; G167-T310 VanDerWaalsContact N-CG2 3.35Å
168K98.6Very high98Very high62 Ų6240.4 Ų40.427%0.2721%0.209SC..Hα-helixtrans-58.5-45.6172.3-173.8178.9-179.8172.90112Y151 G164 Y165 H170 M171 E172Y151-K168 HydrophobicContact CE1-CD 4.24Å; G164-K168 PolarHBondContact O-N 2.87Å; Y165-K168 HydrophobicContact CD1-CD 4Å; Y165-K168 HydrophobicContact CE1-CD 4.32Å; Y165-K168 PolarHBondContact O-N 3.5Å; K168-H170 VanDerWaalsContact C-N 3.26Å; K168-H170 PolarHBondContact O-N 3.49Å; K168-M171 HydrophobicContact CB-CE 4.3Å; K168-M171 HydrophobicContact CG-CE 4.49Å; K168-M171 WeakPolarHBondContact O-CB 3.48Å; K168-M171 PolarHBondContact O-N 3.33Å; K168-E172 WeakPolarHBondContact CE-OE1 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.49Å
169E98.7Very high98.2Very high17 Ų1741.8 Ų41.88%0.07921%0.212CC..Hα-helixtrans-58.9-39174.2-178.9171.5172.900111.8K150 Y151 Y165 A166 G167 E172 K173 S271 V272 I273K150-E169 IonicContact NZ-OE1 2.79Å; K150-E169 PolarHBondContact NZ-OE1 2.95Å; K150-E169 IonicContact NZ-OE2 3.2Å; K150-E169 PolarHBondContact NZ-OE2 3.43Å; Y151-E169 HydrophobicContact CE2-CB 4.47Å; Y151-E169 WeakPolarHBondContact OH-CB 3.42Å; Y165-E169 WeakPolarHBondContact O-CB 3.25Å; Y165-E169 PolarHBondContact O-N 3.06Å; A166-E169 PolarHBondContact O-N 3.45Å; G167-E169 VanDerWaalsContact C-N 3.35Å; G167-E169 PolarHBondContact O-N 3Å; E169-E172 PolarHBondContact O-N 3.02Å; E169-K173 VanDerWaalsContact O-CB 3.32Å; E169-K173 WeakPolarHBondContact O-CB 3.31Å; E169-K173 PolarHBondContact O-N 3.11Å; E169-S271 VanDerWaalsContact CD-OG 3.3Å; E169-S271 WeakPolarHBondContact OE1-CA 3.42Å; E169-S271 VanDerWaalsContact OE1-CB 3.26Å; E169-S271 WeakPolarHBondContact OE1-CB 3.22Å; E169-S271 PolarHBondContact OE1-OG 2.92Å; E169-S271 PolarHBondContact OE2-OG 3.47Å; E169-V272 PolarHBondContact OE2-N 2.91Å; E169-I273 HydrophobicContact CB-CD1 4.13Å; E169-I273 HydrophobicContact CB-CG1 4.16Å; E169-I273 HydrophobicContact CG-CD1 3.82Å; E169-I273 HydrophobicContact CG-CG1 4.11Å
170H98.8Very high98.4Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-66.9-40.6176.5-165.4-80000111.9A166 G167 K168 K173 Y174 T176 I273 L314 E317A166-H170 PolarHBondContact O-N 2.85Å; A166-H170 VanDerWaalsContact O-N 3.08Å; G167-H170 WeakPolarHBondContact O-CB 3.38Å; G167-H170 PolarHBondContact O-N 2.86Å; G167-H170 VanDerWaalsContact O-N 3.11Å; K168-H170 VanDerWaalsContact C-N 3.26Å; K168-H170 PolarHBondContact O-N 3.49Å; H170-K173 PolarHBondContact O-N 3.39Å; H170-Y174 AromaticContact CD2-CD2 3.49Å; H170-Y174 VanDerWaalsContact CD2-CD2 3.49Å; H170-Y174 WeakPolarHBondContact CD2-CD2 3.49Å; H170-Y174 AromaticContact CD2-CE2 3.77Å; H170-Y174 AromaticContact CE1-CD2 3.7Å; H170-Y174 AromaticContact CG-CD2 3.75Å; H170-Y174 AromaticContact ND1-CD2 3.89Å; H170-Y174 AromaticContact NE2-CD2 3.47Å; H170-Y174 WeakPolarHBondContact NE2-CD2 3.31Å; H170-Y174 AromaticContact NE2-CE2 3.91Å; H170-Y174 WeakPolarHBondContact O-CB 3.4Å; H170-Y174 PolarHBondContact O-N 3.21Å; H170-T176 PolarHBondContact CE1-OG1 3.09Å; H170-T176 WeakPolarHBondContact ND1-CB 3.5Å; H170-T176 PolarHBondContact ND1-OG1 3.25Å; H170-I273 HydrophobicContact CB-CD1 4.01Å; H170-L314 HydrophobicContact CB-CD2 4.16Å; H170-L314 VanDerWaalsContact CD2-CD2 3.42Å; H170-L314 WeakPolarHBondContact CD2-CD2 3.4Å; H170-E317 IonicContact CD2-OE2 2.63Å; H170-E317 IonicContact CE1-OE1 2.64Å; H170-E317 PolarHBondContact CE1-OE1 3.5Å; H170-E317 VanDerWaalsContact CE1-OE1 3.31Å; H170-E317 VanDerWaalsContact NE2-CD 3.33Å; H170-E317 IonicContact NE2-OE1 3.33Å; H170-E317 PolarHBondContact NE2-OE1 3.05Å; H170-E317 IonicContact NE2-OE2 3.37Å; H170-E317 PolarHBondContact NE2-OE2 3.34Å
171M98.8Very high98.5Very high38 Ų3840.2 Ų40.219%0.18720%0.197CC..Hα-helixtrans-61.1-45.5172.6-61.1-165.9-77.100111.7G167 K168 K173 G175 T176 I178 F181 F218G167-M171 WeakPolarHBondContact O-CG 3.35Å; G167-M171 PolarHBondContact O-N 3.11Å; K168-M171 HydrophobicContact CB-CE 4.3Å; K168-M171 HydrophobicContact CG-CE 4.49Å; K168-M171 WeakPolarHBondContact O-CB 3.48Å; K168-M171 PolarHBondContact O-N 3.33Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.14Å; M171-G175 VanDerWaalsContact O-CA 3.31Å; M171-G175 WeakPolarHBondContact O-CA 3.31Å; M171-G175 PolarHBondContact O-N 3Å; M171-T176 WeakPolarHBondContact CB-O 3.42Å; M171-T176 WeakPolarHBondContact CG-O 3.4Å; M171-I178 HydrophobicContact CE-CG1 4.46Å; M171-I178 HydrophobicContact SD-CG1 3.89Å; M171-F181 HydrophobicContact CG-CE2 3.75Å; M171-F181 HydrophobicContact CG-CZ 4.3Å; M171-F181 HydrophobicContact SD-CE2 3.96Å; M171-F218 HydrophobicContact CE-CD1 3.48Å; M171-F218 VanDerWaalsContact CE-CD1 3.48Å; M171-F218 HydrophobicContact CE-CE1 3.69Å; M171-F218 HydrophobicContact CE-CG 4.25Å
172E98.5Very high98.6Very high114 Ų11440.2 Ų40.253%0.53320%0.197SC..Hα-helixtrans-62.3-39178.6-72.7168.5177.800112Y151 K168 E169Y151-E172 PolarHBondContact OH-OE2 3.05Å; K168-E172 WeakPolarHBondContact CE-OE1 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.49Å; E169-E172 PolarHBondContact O-N 3.02Å
173K98.4Very high98.6Very high129 Ų12942.7 Ų42.756%0.56121%0.207SC*.Hα-helixtrans-85.3-36.5-175.5-169.9174.1176.6-164.90113.9E169 H170 M171E169-K173 VanDerWaalsContact O-CB 3.32Å; E169-K173 WeakPolarHBondContact O-CB 3.31Å; E169-K173 PolarHBondContact O-N 3.11Å; H170-K173 PolarHBondContact O-N 3.39Å; M171-K173 VanDerWaalsContact C-N 3.33Å; M171-K173 PolarHBondContact O-N 3.14Å
174Y98.6Very high98.6Very high73 Ų7342.2 Ų42.229%0.28621%0.205SC..Hα-helixtrans-124-3.4-167.7-55.2-68000114.2H170 T176 G325H170-Y174 AromaticContact CD2-CD2 3.49Å; H170-Y174 VanDerWaalsContact CD2-CD2 3.49Å; H170-Y174 WeakPolarHBondContact CD2-CD2 3.49Å; H170-Y174 AromaticContact CD2-CE2 3.77Å; H170-Y174 AromaticContact CE1-CD2 3.7Å; H170-Y174 AromaticContact CG-CD2 3.75Å; H170-Y174 AromaticContact ND1-CD2 3.89Å; H170-Y174 AromaticContact NE2-CD2 3.47Å; H170-Y174 WeakPolarHBondContact NE2-CD2 3.31Å; H170-Y174 AromaticContact NE2-CE2 3.91Å; H170-Y174 WeakPolarHBondContact O-CB 3.4Å; H170-Y174 PolarHBondContact O-N 3.21Å; Y174-T176 VanDerWaalsContact C-N 3.26Å; Y174-T176 PolarHBondContact O-N 2.88Å; Y174-G325 VanDerWaalsContact CD1-CA 3.49Å; Y174-G325 VanDerWaalsContact CG-CA 3.44Å
175G98.3Very high98.7Very high55 Ų5542.2 Ų42.257%0.56721%0.205SC*.  trans7317.5179.200000114.1M171M171-G175 VanDerWaalsContact O-CA 3.31Å; M171-G175 WeakPolarHBondContact O-CA 3.31Å; M171-G175 PolarHBondContact O-N 3Å
176T98.6Very high98.7Very high8 Ų844.6 Ų44.65%0.04921%0.214CC..  trans-55142.6169.4-61.80000109.7H170 M171 Y174 H180 F181 L313 A328H170-T176 PolarHBondContact CE1-OG1 3.09Å; H170-T176 WeakPolarHBondContact ND1-CB 3.5Å; H170-T176 PolarHBondContact ND1-OG1 3.25Å; M171-T176 WeakPolarHBondContact CB-O 3.42Å; M171-T176 WeakPolarHBondContact CG-O 3.4Å; Y174-T176 VanDerWaalsContact C-N 3.26Å; Y174-T176 PolarHBondContact O-N 2.88Å; T176-H180 HydrophobicContact CG2-CB 4.17Å; T176-F181 HydrophobicContact CG2-CD2 4.46Å; T176-F181 HydrophobicContact CG2-CE1 4.47Å; T176-F181 HydrophobicContact CG2-CE2 3.69Å; T176-F181 HydrophobicContact CG2-CZ 3.7Å; T176-L313 HydrophobicContact CG2-CD1 3.83Å; T176-A328 HydrophobicContact CG2-CB 4.29Å
177K98.7Very high98.7Very high129 Ų12944.6 Ų44.656%0.56121%0.214SC*.  trans-106.4158.2-178.7-46.6179.1177.3175.10111.5E179 H180 F181K177-E179 WeakPolarHBondContact CB-OE2 3.43Å; K177-E179 PolarHBondContact O-N 2.73Å; K177-H180 PolarHBondContact N-ND1 3.14Å; K177-H180 VanDerWaalsContact N-ND1 3.12Å; K177-H180 WeakPolarHBondContact O-CB 3.26Å; K177-H180 PolarHBondContact O-N 3.02Å; K177-H180 VanDerWaalsContact O-N 3.08Å; K177-F181 WeakPolarHBondContact O-CD2 3.41Å
178I98.4Very high98.7Very high75 Ų7544.6 Ų44.639%0.38521%0.214SC..Hα-helixtrans-56.3-37.2178.8-66.2173.8000111.1M171 H180 F181 A182 F218M171-I178 HydrophobicContact CE-CG1 4.46Å; M171-I178 HydrophobicContact SD-CG1 3.89Å; I178-H180 PolarHBondContact O-N 2.94Å; I178-F181 PolarHBondContact O-N 3.48Å; I178-F181 VanDerWaalsContact O-N 3.13Å; I178-A182 PolarHBondContact O-N 3.37Å; I178-A182 VanDerWaalsContact O-N 3.1Å; I178-F218 HydrophobicContact CB-CB 4.35Å; I178-F218 HydrophobicContact CD1-CB 3.75Å; I178-F218 HydrophobicContact CG1-CB 3.68Å; I178-F218 HydrophobicContact CG1-CG 4.21Å; I178-F218 HydrophobicContact CG2-CB 3.86Å
179E98.6Very high98.7Very high87 Ų8741.8 Ų41.841%0.40720%0.202SC..Hα-helixtrans-60.9-31.1-179.5-60.280.4-179.300112.2K177 A182 K183 M210K177-E179 WeakPolarHBondContact CB-OE2 3.43Å; K177-E179 PolarHBondContact O-N 2.73Å; E179-A182 PolarHBondContact O-N 2.94Å; E179-K183 WeakPolarHBondContact O-CB 3.41Å; E179-K183 VanDerWaalsContact O-CG 3.29Å; E179-K183 WeakPolarHBondContact O-CG 3.48Å; E179-K183 PolarHBondContact O-N 3.37Å; E179-M210 HydrophobicContact CG-SD 3.97Å
180H98.8Very high98.7Very high15 Ų1545 Ų457%0.06922%0.215CC..Hα-helixtrans-67.8-39177.6-54.3140.2000111.6T176 K177 I178 K183 I184 L313 A328 D332T176-H180 HydrophobicContact CG2-CB 4.17Å; K177-H180 PolarHBondContact N-ND1 3.14Å; K177-H180 VanDerWaalsContact N-ND1 3.12Å; K177-H180 WeakPolarHBondContact O-CB 3.26Å; K177-H180 PolarHBondContact O-N 3.02Å; K177-H180 VanDerWaalsContact O-N 3.08Å; I178-H180 PolarHBondContact O-N 2.94Å; H180-K183 PolarHBondContact O-N 2.98Å; H180-I184 PolarHBondContact O-N 3.27Å; H180-L313 HydrophobicContact CB-CD1 4.2Å; H180-A328 HydrophobicContact CB-CB 4.47Å; H180-A328 VanDerWaalsContact CE1-CB 3.5Å; H180-A328 WeakPolarHBondContact CE1-CB 3.41Å; H180-A328 WeakPolarHBondContact ND1-CB 3.21Å; H180-D332 IonicContact CD2-OD1 2.91Å; H180-D332 PolarHBondContact CD2-OD1 2.68Å; H180-D332 IonicContact CD2-OD2 2.65Å; H180-D332 IonicContact NE2-OD1 3.66Å; H180-D332 IonicContact NE2-OD2 3.84Å; H180-D332 PolarHBondContact NE2-OD2 2.82Å
181F98.8Very high98.7Very high0 Ų045.1 Ų45.10%022%0.216CC..Hα-helixtrans-68-39.8174.4-58.3-72.2000111.4M171 T176 K177 I178 K183 I184 G185 F218 Q223 S309 T310 L313M171-F181 HydrophobicContact CG-CE2 3.75Å; M171-F181 HydrophobicContact CG-CZ 4.3Å; M171-F181 HydrophobicContact SD-CE2 3.96Å; T176-F181 HydrophobicContact CG2-CD2 4.46Å; T176-F181 HydrophobicContact CG2-CE1 4.47Å; T176-F181 HydrophobicContact CG2-CE2 3.69Å; T176-F181 HydrophobicContact CG2-CZ 3.7Å; K177-F181 WeakPolarHBondContact O-CD2 3.41Å; I178-F181 PolarHBondContact O-N 3.48Å; I178-F181 VanDerWaalsContact O-N 3.13Å; F181-K183 PolarHBondContact O-N 3.5Å; F181-I184 WeakPolarHBondContact O-CB 3.42Å; F181-I184 PolarHBondContact O-N 2.95Å; F181-G185 PolarHBondContact O-N 3.39Å; F181-F218 HydrophobicContact CB-CD2 4.21Å; F181-F218 HydrophobicContact CB-CE2 3.83Å; F181-F218 HydrophobicContact CD1-CE2 4.12Å; F181-F218 AromaticContact CD2-CD2 3.91Å; F181-F218 HydrophobicContact CD2-CD2 3.91Å; F181-F218 AromaticContact CD2-CE2 3.47Å; F181-F218 HydrophobicContact CD2-CE2 3.47Å; F181-F218 VanDerWaalsContact CD2-CE2 3.47Å; F181-F218 HydrophobicContact CD2-CZ 4.01Å; F181-F218 AromaticContact CE2-CE2 3.99Å; F181-F218 HydrophobicContact CE2-CE2 3.99Å; F181-F218 HydrophobicContact CE2-CZ 4.04Å; F181-F218 HydrophobicContact CG-CD2 4.21Å; F181-F218 AromaticContact CG-CE2 3.54Å; F181-F218 HydrophobicContact CG-CE2 3.54Å; F181-F218 HydrophobicContact CG-CZ 4.25Å; F181-F218 HydrophobicContact CZ-CZ 4.31Å; F181-Q223 VanDerWaalsContact C-OE1 3.24Å; F181-Q223 PolarHBondContact O-OE1 3.37Å; F181-S309 WeakPolarHBondContact O-CB 3.46Å; F181-T310 HydrophobicContact CE1-CG2 3.99Å; F181-L313 HydrophobicContact CD1-CB 4.23Å; F181-L313 HydrophobicContact CD1-CD1 3.95Å; F181-L313 HydrophobicContact CE1-CB 4.02Å; F181-L313 HydrophobicContact CE1-CD1 3.73Å; F181-L313 HydrophobicContact CE1-CD2 4.23Å; F181-L313 HydrophobicContact CE1-CG 4.21Å; F181-L313 HydrophobicContact CZ-CD1 4.28Å
182A98.8Very high98.7Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-64.8-38.917600000112.5I178 E179 I184 G185 W186 L206 V209 M210I178-A182 PolarHBondContact O-N 3.37Å; I178-A182 VanDerWaalsContact O-N 3.1Å; E179-A182 PolarHBondContact O-N 2.94Å; A182-I184 PolarHBondContact O-N 3.3Å; A182-G185 PolarHBondContact O-N 3.2Å; A182-G185 VanDerWaalsContact O-N 3.12Å; A182-W186 PolarHBondContact O-N 3.48Å; A182-L206 HydrophobicContact CB-CD1 3.72Å; A182-V209 HydrophobicContact CB-CG1 4.17Å; A182-M210 HydrophobicContact CB-CG 3.46Å; A182-M210 VanDerWaalsContact CB-CG 3.46Å; A182-M210 HydrophobicContact CB-SD 4.29Å
183K98.9Very high98.7Very high59 Ų5940.7 Ų40.726%0.25720%0.199SC..Hα-helixtrans-58.6-34.9173.8-78.4176.9-175.3-174.20112.5E179 H180 F181 W186 K187 L206 V331 D332E179-K183 WeakPolarHBondContact O-CB 3.41Å; E179-K183 VanDerWaalsContact O-CG 3.29Å; E179-K183 WeakPolarHBondContact O-CG 3.48Å; E179-K183 PolarHBondContact O-N 3.37Å; H180-K183 PolarHBondContact O-N 2.98Å; F181-K183 PolarHBondContact O-N 3.5Å; K183-W186 WeakPolarHBondContact O-CB 3.43Å; K183-W186 PolarHBondContact O-N 3.01Å; K183-K187 WeakPolarHBondContact O-CB 3.4Å; K183-K187 PolarHBondContact O-N 2.71Å; K183-L206 HydrophobicContact CB-CD1 4.47Å; K183-L206 HydrophobicContact CG-CD1 3.91Å; K183-L206 HydrophobicContact CG-CD2 3.97Å; K183-V331 HydrophobicContact CB-CG1 3.54Å; K183-V331 HydrophobicContact CD-CG1 3.77Å; K183-V331 HydrophobicContact CG-CG1 4.31Å; K183-D332 IonicContact NZ-OD1 3.35Å; K183-D332 PolarHBondContact NZ-OD1 3.03Å
184I98.9Very high98.6Very high0 Ų037.1 Ų37.10%019%0.186CC..Hα-helixtrans-66.5-45.8174.5-69168.2000110.9H180 F181 A182 W186 K187 N188 S309 E312 L313 Y316 V331 I351H180-I184 PolarHBondContact O-N 3.27Å; F181-I184 WeakPolarHBondContact O-CB 3.42Å; F181-I184 PolarHBondContact O-N 2.95Å; A182-I184 PolarHBondContact O-N 3.3Å; I184-W186 PolarHBondContact O-N 3.22Å; I184-K187 PolarHBondContact O-N 2.9Å; I184-N188 PolarHBondContact O-N 2.86Å; I184-N188 PolarHBondContact O-ND2 3.12Å; I184-S309 WeakPolarHBondContact CD1-O 3.43Å; I184-E312 HydrophobicContact CD1-CG 4.35Å; I184-E312 HydrophobicContact CG2-CB 3.92Å; I184-E312 VanDerWaalsContact CG2-CD 3.45Å; I184-E312 HydrophobicContact CG2-CG 3.78Å; I184-E312 WeakPolarHBondContact CG2-OE2 3.3Å; I184-L313 HydrophobicContact CD1-CB 3.63Å; I184-L313 HydrophobicContact CD1-CD1 4.2Å; I184-L313 HydrophobicContact CD1-CG 4.34Å; I184-Y316 HydrophobicContact CD1-CE2 3.98Å; I184-Y316 HydrophobicContact CG1-CE2 4.43Å; I184-V331 HydrophobicContact CD1-CG2 3.99Å; I184-V331 HydrophobicContact CG1-CG2 3.89Å; I184-I351 HydrophobicContact CG2-CD1 4.49Å
185G98.6Very high98.6Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-56.7-49.1173.700000111.8F181 A182 K187 N188 H189F181-G185 PolarHBondContact O-N 3.39Å; A182-G185 PolarHBondContact O-N 3.2Å; A182-G185 VanDerWaalsContact O-N 3.12Å; G185-K187 PolarHBondContact O-N 2.79Å; G185-N188 PolarHBondContact O-N 2.97Å; G185-H189 PolarHBondContact O-CD2 2.92Å; G185-H189 PolarHBondContact O-N 3.49Å; G185-H189 VanDerWaalsContact O-N 3.1Å
186W98.8Very high98.6Very high75 Ų7534.7 Ų34.728%0.28417%0.169SC..Hα-helixtrans-52.8-52.3174.6164.375.4000112.5A182 K183 I184 N188 H189 K190 L206 V209A182-W186 PolarHBondContact O-N 3.48Å; K183-W186 WeakPolarHBondContact O-CB 3.43Å; K183-W186 PolarHBondContact O-N 3.01Å; I184-W186 PolarHBondContact O-N 3.22Å; W186-N188 PolarHBondContact O-N 3.37Å; W186-H189 PolarHBondContact O-N 3.06Å; W186-K190 HydrophobicContact CH2-CD 4.32Å; W186-K190 HydrophobicContact CZ2-CD 3.82Å; W186-K190 WeakPolarHBondContact O-CB 3.46Å; W186-K190 PolarHBondContact O-N 2.91Å; W186-L206 HydrophobicContact CB-CD1 4.31Å; W186-V209 HydrophobicContact CB-CG2 4.29Å
187K98.8Very high98.6Very high1 Ų137.2 Ų37.20%0.00418%0.178CC..Hα-helixtrans-60.3-43.8-178.3177.6-83-53.2178.20111.8K183 I184 G185 K190 H191 E312 I344K183-K187 WeakPolarHBondContact O-CB 3.4Å; K183-K187 PolarHBondContact O-N 2.71Å; I184-K187 PolarHBondContact O-N 2.9Å; G185-K187 PolarHBondContact O-N 2.79Å; K187-K190 PolarHBondContact O-N 3.09Å; K187-H191 WeakPolarHBondContact CD-CE1 3.4Å; K187-H191 PolarHBondContact O-CD2 3.01Å; K187-H191 VanDerWaalsContact O-CD2 3.31Å; K187-H191 PolarHBondContact O-N 2.94Å; K187-E312 WeakPolarHBondContact CE-OE1 3.42Å; K187-E312 IonicContact NZ-OE1 3.74Å; K187-E312 PolarHBondContact NZ-OE1 3.37Å; K187-E312 IonicContact NZ-OE2 3.4Å; K187-E312 PolarHBondContact NZ-OE2 2.97Å; K187-I344 PolarHBondContact NZ-O 3.3Å
188N98.8Very high98.6Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-64-44.2178.4-78.8-50.2000112.1I184 G185 W186 K190 H191 S192 E312 N345 G348 I351 S352I184-N188 PolarHBondContact O-N 2.86Å; I184-N188 PolarHBondContact O-ND2 3.12Å; G185-N188 PolarHBondContact O-N 2.97Å; W186-N188 PolarHBondContact O-N 3.37Å; N188-K190 PolarHBondContact O-N 3.3Å; N188-H191 PolarHBondContact O-N 3.45Å; N188-S192 PolarHBondContact O-N 2.93Å; N188-E312 PolarHBondContact ND2-OE2 3.43Å; N188-N345 VanDerWaalsContact OD1-CB 3.3Å; N188-N345 WeakPolarHBondContact OD1-CB 3.3Å; N188-N345 PolarHBondContact OD1-ND2 3.43Å; N188-G348 WeakPolarHBondContact CB-O 3.4Å; N188-G348 WeakPolarHBondContact O-CA 3.44Å; N188-I351 HydrophobicContact CB-CB 4.11Å; N188-I351 HydrophobicContact CB-CG2 4.32Å; N188-S352 PolarHBondContact O-OG 3.25Å
189H98.8Very high98.6Very high2 Ų228.9 Ų28.91%0.00914%0.139CC..Hα-helixtrans-63.7-41.4174.9-72.6-65.6000112.4G185 W186 H191 S192 Y204 L222 I351 S352G185-H189 PolarHBondContact O-CD2 2.92Å; G185-H189 PolarHBondContact O-N 3.49Å; G185-H189 VanDerWaalsContact O-N 3.1Å; W186-H189 PolarHBondContact O-N 3.06Å; H189-H191 VanDerWaalsContact C-N 3.31Å; H189-H191 PolarHBondContact O-N 2.64Å; H189-S192 WeakPolarHBondContact O-CB 3.39Å; H189-S192 PolarHBondContact O-N 3.25Å; H189-S192 VanDerWaalsContact O-N 3.07Å; H189-S192 PolarHBondContact O-OG 3.16Å; H189-Y204 HydrophobicContact CB-CD2 3.85Å; H189-Y204 AromaticContact CG-CD2 3.71Å; H189-Y204 AromaticContact ND1-CE2 3.92Å; H189-L222 PolarHBondContact NE2-O 3.47Å; H189-I351 WeakPolarHBondContact NE2-CG2 3.08Å; H189-S352 VanDerWaalsContact CA-OG 3.25Å; H189-S352 WeakPolarHBondContact CA-OG 3.09Å; H189-S352 PolarHBondContact CE1-OG 3.02Å; H189-S352 PolarHBondContact N-OG 3.08Å; H189-S352 PolarHBondContact ND1-OG 3.4Å
190K98.7Very high98.6Very high84 Ų8428.2 Ų28.237%0.36514%0.135SC..Hα-helixtrans-57.8-41.7174.2-176.5177.7-175.2-169.40112.7W186 K187 N188 S192 E203W186-K190 HydrophobicContact CH2-CD 4.32Å; W186-K190 HydrophobicContact CZ2-CD 3.82Å; W186-K190 WeakPolarHBondContact O-CB 3.46Å; W186-K190 PolarHBondContact O-N 2.91Å; K187-K190 PolarHBondContact O-N 3.09Å; N188-K190 PolarHBondContact O-N 3.3Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-E203 HydrophobicContact CB-CG 4.5Å
191H98.8Very high98.5Very high3 Ų330.6 Ų30.61%0.01415%0.147CC..Hα-helixtrans-67.2-35.9175.9-71.3-171.8000112.2K187 N188 H189 V193 N194 T337 Y338 I344 N345K187-H191 WeakPolarHBondContact CD-CE1 3.4Å; K187-H191 PolarHBondContact O-CD2 3.01Å; K187-H191 VanDerWaalsContact O-CD2 3.31Å; K187-H191 PolarHBondContact O-N 2.94Å; N188-H191 PolarHBondContact O-N 3.45Å; H189-H191 VanDerWaalsContact C-N 3.31Å; H189-H191 PolarHBondContact O-N 2.64Å; H191-V193 VanDerWaalsContact C-N 3.27Å; H191-V193 PolarHBondContact O-N 3.3Å; H191-N194 PolarHBondContact O-N 2.85Å; H191-T337 PolarHBondContact NE2-OG1 3.19Å; H191-Y338 AromaticContact CD2-CE2 3.76Å; H191-Y338 AromaticContact NE2-CD2 3.66Å; H191-Y338 AromaticContact NE2-CE2 3.7Å; H191-I344 PolarHBondContact CE1-O 3.37Å; H191-I344 PolarHBondContact ND1-O 2.65Å; H191-N345 PolarHBondContact ND1-O 3.43Å
192S98.5Very high98.5Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-63.6-26.9-174.282.80000114.8N188 H189 K190 N194 N195 F200N188-S192 PolarHBondContact O-N 2.93Å; H189-S192 WeakPolarHBondContact O-CB 3.39Å; H189-S192 PolarHBondContact O-N 3.25Å; H189-S192 VanDerWaalsContact O-N 3.07Å; H189-S192 PolarHBondContact O-OG 3.16Å; K190-S192 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact O-N 3.07Å; S192-N194 VanDerWaalsContact O-N 3.09Å; S192-N195 WeakPolarHBondContact O-CB 3.44Å; S192-N195 PolarHBondContact O-N 3.01Å; S192-F200 WeakPolarHBondContact CB-O 3.46Å; S192-F200 PolarHBondContact OG-O 3.44Å; S192-F200 VanDerWaalsContact OG-O 3.11Å
193V98.5Very high98.3Very high59 Ų5940.7 Ų40.736%0.35820%0.197SC..THydrogen-bonded Turntrans-54.3-32177.5-177.40000111.8H191 N195 E203H191-V193 VanDerWaalsContact C-N 3.27Å; H191-V193 PolarHBondContact O-N 3.3Å; V193-N195 VanDerWaalsContact C-N 3.35Å; V193-E203 HydrophobicContact CG2-CB 3.9Å
194N97.5Very high98.3Very high55 Ų5540.5 Ų40.529%0.29420%0.195SC..THydrogen-bonded Turntrans-901.9-179.2-67.7-46.1000113.4H191 S192 K378 R379H191-N194 PolarHBondContact O-N 2.85Å; S192-N194 PolarHBondContact O-N 3.07Å; S192-N194 VanDerWaalsContact O-N 3.09Å; N194-K378 HydrophobicContact CB-CB 3.88Å; N194-R379 HydrophobicContact CB-CG 3.59Å; N194-R379 WeakPolarHBondContact O-CG 3.45Å; N194-R379 PolarHBondContact O-NH1 3.36Å
195N98.6Very high98.3Very high2 Ų242.9 Ų42.91%0.01121%0.212CC..  trans-109.1104.6-177.3-171.62.7000112.4S192 V193 Y197 S198 Q201 S347 K353S192-N195 WeakPolarHBondContact O-CB 3.44Å; S192-N195 PolarHBondContact O-N 3.01Å; V193-N195 VanDerWaalsContact C-N 3.35Å; N195-Y197 PolarHBondContact O-N 3.38Å; N195-Y197 VanDerWaalsContact O-N 3.17Å; N195-Y197 WeakPolarHBondContact OD1-CB 3.4Å; N195-Y197 PolarHBondContact OD1-N 2.88Å; N195-S198 WeakPolarHBondContact O-CB 3.42Å; N195-S198 PolarHBondContact O-N 3.15Å; N195-S198 VanDerWaalsContact O-N 3.1Å; N195-Q201 VanDerWaalsContact O-CD 3.24Å; N195-Q201 WeakPolarHBondContact O-CG 2.94Å; N195-Q201 PolarHBondContact O-NE2 3.16Å; N195-Q201 VanDerWaalsContact O-NE2 3.16Å; N195-S347 WeakPolarHBondContact CB-O 3.32Å; N195-S347 PolarHBondContact ND2-O 2.99Å; N195-K353 WeakPolarHBondContact ND2-CG 3.46Å
196P98.1Very high98.3Very high74 Ų7445.3 Ų45.348%0.48122%0.224SC..THydrogen-bonded Turntrans-66.7-19.8178.929.4-35000113.2S198 Q201P196-S198 VanDerWaalsContact C-N 3.34Å; P196-Q201 PolarHBondContact O-NE2 2.92Å; P196-Q201 VanDerWaalsContact O-NE2 3.14Å
197Y98.5Very high98.3Very high61 Ų6147 Ų4724%0.23924%0.239CC..THydrogen-bonded Turntrans-84.1-9.6178.2-59.5-76.9000113.4M21 F24 N195 W370M21-Y197 HydrophobicContact CE-CG 4.43Å; M21-Y197 HydrophobicContact CG-CD1 3.91Å; M21-Y197 HydrophobicContact CG-CE1 4.18Å; M21-Y197 HydrophobicContact CG-CG 4.12Å; M21-Y197 HydrophobicContact SD-CD1 4.5Å; M21-Y197 HydrophobicContact SD-CD2 4.41Å; M21-Y197 HydrophobicContact SD-CG 4.12Å; F24-Y197 PolarHBondContact N-O 2.81Å; N195-Y197 PolarHBondContact O-N 3.38Å; N195-Y197 VanDerWaalsContact O-N 3.17Å; N195-Y197 WeakPolarHBondContact OD1-CB 3.4Å; N195-Y197 PolarHBondContact OD1-N 2.88Å; Y197-W370 HydrophobicContact CD2-CH2 4.17Å; Y197-W370 HydrophobicContact CD2-CZ3 4.19Å; Y197-W370 AromaticContact CE2-CH2 3.73Å; Y197-W370 HydrophobicContact CE2-CH2 3.73Å; Y197-W370 HydrophobicContact CE2-CZ3 4.04Å
198S98.4Very high98.3Very high0 Ų051.9 Ų51.90%026%0.262CS..  trans-74.1139.6-178-172.60000111.8K23 N195 P196 F200 Q201 S352 K353K23-S198 VanDerWaalsContact CE-O 3.31Å; K23-S198 WeakPolarHBondContact CE-O 3.4Å; N195-S198 WeakPolarHBondContact O-CB 3.42Å; N195-S198 PolarHBondContact O-N 3.15Å; N195-S198 VanDerWaalsContact O-N 3.1Å; P196-S198 VanDerWaalsContact C-N 3.34Å; S198-F200 VanDerWaalsContact C-N 3.35Å; S198-F200 VanDerWaalsContact CB-O 3.3Å; S198-F200 WeakPolarHBondContact CB-O 3.45Å; S198-F200 PolarHBondContact OG-O 2.71Å; S198-Q201 PolarHBondContact O-NE2 2.93Å; S198-S352 PolarHBondContact OG-O 3.46Å; S198-S352 VanDerWaalsContact OG-O 3.04Å; S198-K353 VanDerWaalsContact OG-CA 3.23Å; S198-K353 WeakPolarHBondContact OG-CA 3.42Å; S198-K353 PolarHBondContact OG-N 2.83Å
199Q98.3Very high98.2Very high29 Ų2951.9 Ų51.914%0.13626%0.262CS..SBendtrans-62.9-42.9173.9-175.5-179.6-66.400111.4F24 V25 R26 S228 K353F24-Q199 VanDerWaalsContact O-CA 3.24Å; F24-Q199 WeakPolarHBondContact O-CA 3.42Å; F24-Q199 WeakPolarHBondContact O-CB 3.41Å; F24-Q199 PolarHBondContact O-N 2.83Å; V25-Q199 PolarHBondContact O-OE1 3.3Å; R26-Q199 VanDerWaalsContact N-OE1 3.15Å; Q199-S228 PolarHBondContact OE1-OG 2.95Å; Q199-K353 WeakPolarHBondContact CB-O 3.44Å; Q199-K353 PolarHBondContact N-O 3.42Å; Q199-K353 VanDerWaalsContact N-O 3.12Å
200F97.9Very high98.2Very high73 Ų7355.2 Ų55.232%0.3228%0.278SS..  trans-110.5135174.8-58.9-55.9000110.2S192 S198 P226 S352S192-F200 WeakPolarHBondContact CB-O 3.46Å; S192-F200 PolarHBondContact OG-O 3.44Å; S192-F200 VanDerWaalsContact OG-O 3.11Å; S198-F200 VanDerWaalsContact C-N 3.35Å; S198-F200 VanDerWaalsContact CB-O 3.3Å; S198-F200 WeakPolarHBondContact CB-O 3.45Å; S198-F200 PolarHBondContact OG-O 2.71Å; F200-P226 HydrophobicContact CD2-CG 4.1Å; F200-P226 HydrophobicContact CE2-CB 3.83Å; F200-P226 HydrophobicContact CE2-CG 3.56Å; F200-P226 HydrophobicContact CZ-CB 4.38Å; F200-P226 HydrophobicContact CZ-CG 4.47Å; F200-S352 PolarHBondContact N-O 3.07Å; F200-S352 VanDerWaalsContact N-O 3.07Å
201Q98Very high98.2Very high66 Ų6655.5 Ų55.531%0.30830%0.296SS..  trans-133.417.4-178-64.7174.430.300111.3N195 P196 S198N195-Q201 VanDerWaalsContact O-CD 3.24Å; N195-Q201 WeakPolarHBondContact O-CG 2.94Å; N195-Q201 PolarHBondContact O-NE2 3.16Å; N195-Q201 VanDerWaalsContact O-NE2 3.16Å; P196-Q201 PolarHBondContact O-NE2 2.92Å; P196-Q201 VanDerWaalsContact O-NE2 3.14Å; S198-Q201 PolarHBondContact O-NE2 2.93Å
202D97.7Very high98.2Very high97 Ų9756.4 Ų56.452%0.51930%0.303SS..  trans-90.3137.9177.4-56.5-52.2000109.6Y204D202-Y204 HydrophobicContact CB-CE2 3.88Å; D202-Y204 WeakPolarHBondContact O-CD2 3.33Å; D202-Y204 WeakPolarHBondContact O-CE2 3.21Å
203E96.2Very high98.1Very high114 Ų11464.3 Ų64.353%0.53334%0.337SS..  trans-83.8137.8168.5-168168.5-174.900109.4K190 V193K190-E203 HydrophobicContact CB-CG 4.5Å; V193-E203 HydrophobicContact CG2-CB 3.9Å
204Y98.3Very high98.1Very high55 Ų5568.5 Ų68.522%0.21635%0.351CS..  trans-119.2146.9174.1-62.2-88.8000108.5H189 D202 E208 L222H189-Y204 HydrophobicContact CB-CD2 3.85Å; H189-Y204 AromaticContact CG-CD2 3.71Å; H189-Y204 AromaticContact ND1-CE2 3.92Å; D202-Y204 HydrophobicContact CB-CE2 3.88Å; D202-Y204 WeakPolarHBondContact O-CD2 3.33Å; D202-Y204 WeakPolarHBondContact O-CE2 3.21Å; Y204-E208 HydrophobicContact CD1-CB 4.43Å; Y204-L222 HydrophobicContact CD1-CD1 3.59Å; Y204-L222 HydrophobicContact CD2-CD1 4.23Å; Y204-L222 HydrophobicContact CD2-CD2 4.4Å; Y204-L222 HydrophobicContact CE1-CD1 3.89Å; Y204-L222 HydrophobicContact CE1-CD2 4.28Å; Y204-L222 HydrophobicContact CE2-CD2 4.05Å; Y204-L222 HydrophobicContact CG-CD1 3.77Å
205S98.6Very high98.1Very high51 Ų5167.2 Ų67.236%0.35735%0.345SS..  trans-71.4160.4165.664.40000111.2D207 E208 V209S205-D207 VanDerWaalsContact C-N 3.27Å; S205-D207 PolarHBondContact O-N 3.33Å; S205-E208 WeakPolarHBondContact CB-OE2 3.35Å; S205-E208 PolarHBondContact N-OE2 3.34Å; S205-E208 PolarHBondContact O-N 3.24Å; S205-E208 WeakPolarHBondContact OG-CB 3.29Å; S205-E208 VanDerWaalsContact OG-CD 3.25Å; S205-E208 WeakPolarHBondContact OG-CG 3.49Å; S205-E208 PolarHBondContact OG-N 3.11Å; S205-E208 PolarHBondContact OG-OE2 2.94Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 3.29Å; S205-V209 VanDerWaalsContact O-N 3.1Å
206L98.3Very high98Very high50 Ų5067.6 Ų67.626%0.26235%0.346SS..Hα-helixtrans-58.5-41175.618059.8000111.7A182 K183 W186 E208 V209 M210A182-L206 HydrophobicContact CB-CD1 3.72Å; K183-L206 HydrophobicContact CB-CD1 4.47Å; K183-L206 HydrophobicContact CG-CD1 3.91Å; K183-L206 HydrophobicContact CG-CD2 3.97Å; W186-L206 HydrophobicContact CB-CD1 4.31Å; L206-E208 PolarHBondContact O-N 3.14Å; L206-V209 PolarHBondContact O-N 3.2Å; L206-M210 HydrophobicContact CD1-CG 4.45Å; L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 2.92Å
207D98.4Very high98Very high112 Ų11266.5 Ų66.560%0.59934%0.337SS*.Hα-helixtrans-64.4-39.3179.3-68-21.9000111.8S205 M210 A211S205-D207 VanDerWaalsContact C-N 3.27Å; S205-D207 PolarHBondContact O-N 3.33Å; D207-M210 PolarHBondContact O-N 3.12Å; D207-A211 WeakPolarHBondContact O-CB 3.48Å; D207-A211 PolarHBondContact O-N 3.35Å
208E98.6Very high97.9Very high103 Ų10364.3 Ų64.348%0.48133%0.328SS..Hα-helixtrans-63.7-40.7173.9-75.4165.7133.600111.9Y204 S205 L206 A211 S212Y204-E208 HydrophobicContact CD1-CB 4.43Å; S205-E208 WeakPolarHBondContact CB-OE2 3.35Å; S205-E208 PolarHBondContact N-OE2 3.34Å; S205-E208 PolarHBondContact O-N 3.24Å; S205-E208 WeakPolarHBondContact OG-CB 3.29Å; S205-E208 VanDerWaalsContact OG-CD 3.25Å; S205-E208 WeakPolarHBondContact OG-CG 3.49Å; S205-E208 PolarHBondContact OG-N 3.11Å; S205-E208 PolarHBondContact OG-OE2 2.94Å; L206-E208 PolarHBondContact O-N 3.14Å; E208-A211 PolarHBondContact O-N 2.98Å; E208-S212 VanDerWaalsContact O-CB 3.29Å; E208-S212 WeakPolarHBondContact O-CB 3.33Å; E208-S212 PolarHBondContact O-N 2.89Å
209V98.6Very high97.9Very high0 Ų064.3 Ų64.30%033%0.328CS..Hα-helixtrans-61-46.9175.1175.40000110.7A182 W186 S205 L206 S212 T220 L222 Q223A182-V209 HydrophobicContact CB-CG1 4.17Å; W186-V209 HydrophobicContact CB-CG2 4.29Å; S205-V209 WeakPolarHBondContact O-CG2 3.36Å; S205-V209 PolarHBondContact O-N 3.29Å; S205-V209 VanDerWaalsContact O-N 3.1Å; L206-V209 PolarHBondContact O-N 3.2Å; V209-S212 PolarHBondContact O-OG 2.99Å; V209-T220 WeakPolarHBondContact O-CB 3.45Å; V209-T220 PolarHBondContact O-OG1 2.9Å; V209-L222 HydrophobicContact CB-CB 4.49Å; V209-L222 HydrophobicContact CG1-CB 4.19Å; V209-L222 HydrophobicContact CG2-CB 4.25Å; V209-L222 HydrophobicContact CG2-CD1 4.19Å; V209-Q223 HydrophobicContact CG1-CG 3.84Å
210M98.3Very high97.9Very high72 Ų7263.3 Ų63.336%0.35532%0.324SS..Hα-helixtrans-68.1-36179.5-66.6-164.4-41.600113.6E179 A182 L206 D207 T220E179-M210 HydrophobicContact CG-SD 3.97Å; A182-M210 HydrophobicContact CB-CG 3.46Å; A182-M210 VanDerWaalsContact CB-CG 3.46Å; A182-M210 HydrophobicContact CB-SD 4.29Å; L206-M210 HydrophobicContact CD1-CG 4.45Å; L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 2.92Å; D207-M210 PolarHBondContact O-N 3.12Å; M210-T220 WeakPolarHBondContact O-CG2 3.32Å
211A98.3Very high97.9Very high89 Ų8964 Ų6474%0.73633%0.331SS*.Hα-helixtrans-85.7-11.8-178.700000113.5D207 E208D207-A211 WeakPolarHBondContact O-CB 3.48Å; D207-A211 PolarHBondContact O-N 3.35Å; E208-A211 PolarHBondContact O-N 2.98Å
212S98.3Very high97.9Very high23 Ų2362 Ų6216%0.16132%0.322CS..SBendtrans-63.1162179.470.20000112.5E208 V209 K214 T220E208-S212 VanDerWaalsContact O-CB 3.29Å; E208-S212 WeakPolarHBondContact O-CB 3.33Å; E208-S212 PolarHBondContact O-N 2.89Å; V209-S212 PolarHBondContact O-OG 2.99Å; S212-K214 PolarHBondContact O-N 2.89Å; S212-K214 VanDerWaalsContact O-N 3.14Å; S212-T220 WeakPolarHBondContact O-CG2 3.41Å; S212-T220 WeakPolarHBondContact OG-CB 3.3Å; S212-T220 PolarHBondContact OG-OG1 3.39Å
213K97.8Very high98Very high166 Ų16657.4 Ų57.472%0.72230%0.297SS*.PPolyproline II helixtrans-50.3121.5-172179.3179.5175.3-179.30112V215 T220 I221K213-V215 PolarHBondContact O-N 2.93Å; K213-T220 CarbonylContact O-C 3.52Å; K213-T220 WeakPolarHBondContact O-CA 3.28Å; K213-I221 HydrophobicContact CB-CB 4.44Å; K213-I221 HydrophobicContact CB-CG2 4.17Å; K213-I221 PolarHBondContact O-N 2.87Å
214K97.8Very high98.1Very high146 Ų14652.6 Ų52.664%0.63528%0.276SS*.EExtended strand (participates in β ladder)trans-59.3129.5172.5-164-178.4-168.3-179.30110.6S212 D217S212-K214 PolarHBondContact O-N 2.89Å; S212-K214 VanDerWaalsContact O-N 3.14Å; K214-D217 VanDerWaalsContact CE-C 3.46Å; K214-D217 WeakPolarHBondContact CE-O 3.37Å; K214-D217 WeakPolarHBondContact CG-O 3.48Å
215V96.9Very high98Very high29 Ų2951.3 Ų51.318%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-101.2-50.1174.9176.90000109.8H156 P160 K213 L219 I221H156-V215 PolarHBondContact CD2-O 2.97Å; H156-V215 VanDerWaalsContact CD2-O 3.29Å; P160-V215 HydrophobicContact CB-CG1 3.82Å; P160-V215 HydrophobicContact CG-CG1 3.77Å; K213-V215 PolarHBondContact O-N 2.93Å; V215-L219 PolarHBondContact N-O 3.38Å; V215-I221 HydrophobicContact CG2-CB 4.05Å; V215-I221 HydrophobicContact CG2-CD1 3.74Å
216F97.6Very high97.9Very high9 Ų950 Ų504%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-161.9129.3178.8179.7-103.2000111.2H156 P160 Q161 Y165 F218 L219H156-F216 HydrophobicContact CB-CD2 3.91Å; H156-F216 AromaticContact CG-CD2 3.78Å; H156-F216 AromaticContact ND1-CD2 3.86Å; P160-F216 HydrophobicContact CB-CB 3.86Å; P160-F216 VanDerWaalsContact O-CD1 3.3Å; P160-F216 WeakPolarHBondContact O-CD1 3.48Å; Q161-F216 HydrophobicContact CB-CD1 4.48Å; Q161-F216 HydrophobicContact CB-CE1 4.25Å; Q161-F216 HydrophobicContact CB-CZ 4.27Å; Q161-F216 HydrophobicContact CG-CD1 4.25Å; Q161-F216 HydrophobicContact CG-CD2 3.71Å; Q161-F216 HydrophobicContact CG-CE1 4.17Å; Q161-F216 HydrophobicContact CG-CE2 3.63Å; Q161-F216 HydrophobicContact CG-CG 4.02Å; Q161-F216 HydrophobicContact CG-CZ 3.86Å; Y165-F216 HydrophobicContact CD1-CE1 4.16Å; Y165-F216 HydrophobicContact CD1-CZ 4.25Å; Y165-F216 HydrophobicContact CD2-CE1 4.12Å; Y165-F216 HydrophobicContact CD2-CZ 4.05Å; Y165-F216 HydrophobicContact CE1-CE1 4.12Å; Y165-F216 AromaticContact CE1-CZ 3.75Å; Y165-F216 HydrophobicContact CE1-CZ 3.75Å; Y165-F216 HydrophobicContact CE2-CE1 4.09Å; Y165-F216 AromaticContact CE2-CZ 3.56Å; Y165-F216 HydrophobicContact CE2-CZ 3.56Å; Y165-F216 HydrophobicContact CG-CE1 4.17Å; Y165-F216 HydrophobicContact CG-CZ 4.39Å; Y165-F216 AromaticContact CZ-CZ 3.4Å; Y165-F216 VanDerWaalsContact CZ-CZ 3.4Å; F216-F218 PolarHBondContact O-N 3.11Å; F216-L219 PolarHBondContact N-O 2.83Å; F216-L219 WeakPolarHBondContact O-CA 3.49Å; F216-L219 VanDerWaalsContact O-CB 3.31Å; F216-L219 WeakPolarHBondContact O-CB 3.37Å; F216-L219 PolarHBondContact O-N 3.12Å
217D96.6Very high97.8Very high52 Ų5249 Ų4928%0.27826%0.261SS..THydrogen-bonded Turntrans43.7-131.8-175.5-153.3-42.9000110.7K214 L219K214-D217 VanDerWaalsContact CE-C 3.46Å; K214-D217 WeakPolarHBondContact CE-O 3.37Å; K214-D217 WeakPolarHBondContact CG-O 3.48Å; D217-L219 PolarHBondContact O-N 3.43Å
218F97.6Very high97.7Very high14 Ų1443.7 Ų43.76%0.06123%0.232CC..THydrogen-bonded Turntrans-71.5-9.2178.568.5-89.2000115.6G164 M171 I178 F181 F216 T220 Q223 T310G164-F218 VanDerWaalsContact O-CE1 3.29Å; G164-F218 WeakPolarHBondContact O-CE1 3.24Å; M171-F218 HydrophobicContact CE-CD1 3.48Å; M171-F218 VanDerWaalsContact CE-CD1 3.48Å; M171-F218 HydrophobicContact CE-CE1 3.69Å; M171-F218 HydrophobicContact CE-CG 4.25Å; I178-F218 HydrophobicContact CB-CB 4.35Å; I178-F218 HydrophobicContact CD1-CB 3.75Å; I178-F218 HydrophobicContact CG1-CB 3.68Å; I178-F218 HydrophobicContact CG1-CG 4.21Å; I178-F218 HydrophobicContact CG2-CB 3.86Å; F181-F218 HydrophobicContact CB-CD2 4.21Å; F181-F218 HydrophobicContact CB-CE2 3.83Å; F181-F218 HydrophobicContact CD1-CE2 4.12Å; F181-F218 AromaticContact CD2-CD2 3.91Å; F181-F218 HydrophobicContact CD2-CD2 3.91Å; F181-F218 AromaticContact CD2-CE2 3.47Å; F181-F218 HydrophobicContact CD2-CE2 3.47Å; F181-F218 VanDerWaalsContact CD2-CE2 3.47Å; F181-F218 HydrophobicContact CD2-CZ 4.01Å; F181-F218 AromaticContact CE2-CE2 3.99Å; F181-F218 HydrophobicContact CE2-CE2 3.99Å; F181-F218 HydrophobicContact CE2-CZ 4.04Å; F181-F218 HydrophobicContact CG-CD2 4.21Å; F181-F218 AromaticContact CG-CE2 3.54Å; F181-F218 HydrophobicContact CG-CE2 3.54Å; F181-F218 HydrophobicContact CG-CZ 4.25Å; F181-F218 HydrophobicContact CZ-CZ 4.31Å; F216-F218 PolarHBondContact O-N 3.11Å; F218-T220 PolarHBondContact O-N 2.91Å; F218-Q223 PolarHBondContact O-NE2 3.45Å; F218-T310 WeakPolarHBondContact CZ-OG1 3.42Å
219L98.4Very high97.7Very high0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-75.4121.7-178.8-67.5173.2000110.9V215 F216 D217 Q223 F308V215-L219 PolarHBondContact N-O 3.38Å; F216-L219 PolarHBondContact N-O 2.83Å; F216-L219 WeakPolarHBondContact O-CA 3.49Å; F216-L219 VanDerWaalsContact O-CB 3.31Å; F216-L219 WeakPolarHBondContact O-CB 3.37Å; F216-L219 PolarHBondContact O-N 3.12Å; D217-L219 PolarHBondContact O-N 3.43Å; L219-Q223 HydrophobicContact CD2-CB 4.22Å; L219-F308 HydrophobicContact CD1-CD1 3.98Å; L219-F308 HydrophobicContact CD1-CG 4.45Å
220T98.6Very high97.7Very high9 Ų939.4 Ų39.46%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-99165.1172.463.90000111.1V209 M210 S212 K213 F218 L222 Q223 C224V209-T220 WeakPolarHBondContact O-CB 3.45Å; V209-T220 PolarHBondContact O-OG1 2.9Å; M210-T220 WeakPolarHBondContact O-CG2 3.32Å; S212-T220 WeakPolarHBondContact O-CG2 3.41Å; S212-T220 WeakPolarHBondContact OG-CB 3.3Å; S212-T220 PolarHBondContact OG-OG1 3.39Å; K213-T220 CarbonylContact O-C 3.52Å; K213-T220 WeakPolarHBondContact O-CA 3.28Å; F218-T220 PolarHBondContact O-N 2.91Å; T220-L222 PolarHBondContact O-N 3.35Å; T220-Q223 WeakPolarHBondContact O-CB 3.35Å; T220-Q223 PolarHBondContact O-N 3.47Å; T220-Q223 PolarHBondContact OG1-NE2 3Å; T220-C224 PolarHBondContact O-SG 2.83Å
221I97.6Very high97.7Very high88 Ų8836 Ų3645%0.45120%0.196SC..G310 helixtrans-60.7-32.8-175.7-165.366.5000112.4K213 V215 Q223 C224K213-I221 HydrophobicContact CB-CB 4.44Å; K213-I221 HydrophobicContact CB-CG2 4.17Å; K213-I221 PolarHBondContact O-N 2.87Å; V215-I221 HydrophobicContact CG2-CB 4.05Å; V215-I221 HydrophobicContact CG2-CD1 3.74Å; I221-Q223 PolarHBondContact O-N 3.09Å; I221-C224 PolarHBondContact O-N 3.06Å
222L98.4Very high97.7Very high23 Ų2331.8 Ų31.812%0.1216%0.161CC..G310 helixtrans-76.9-3.2176.9-65.2-179.1000113.6H189 Y204 V209 T220 I351H189-L222 PolarHBondContact NE2-O 3.47Å; Y204-L222 HydrophobicContact CD1-CD1 3.59Å; Y204-L222 HydrophobicContact CD2-CD1 4.23Å; Y204-L222 HydrophobicContact CD2-CD2 4.4Å; Y204-L222 HydrophobicContact CE1-CD1 3.89Å; Y204-L222 HydrophobicContact CE1-CD2 4.28Å; Y204-L222 HydrophobicContact CE2-CD2 4.05Å; Y204-L222 HydrophobicContact CG-CD1 3.77Å; V209-L222 HydrophobicContact CB-CB 4.49Å; V209-L222 HydrophobicContact CG1-CB 4.19Å; V209-L222 HydrophobicContact CG2-CB 4.25Å; V209-L222 HydrophobicContact CG2-CD1 4.19Å; T220-L222 PolarHBondContact O-N 3.35Å; L222-I351 WeakPolarHBondContact O-CG2 3.16Å
223Q98.7Very high97.8Very high1 Ų130.7 Ų30.71%0.00515%0.153CC..G310 helixtrans-103.41.4171.9-66.2-179.97700112.9F181 V209 F218 L219 T220 I221 F308 S309F181-Q223 VanDerWaalsContact C-OE1 3.24Å; F181-Q223 PolarHBondContact O-OE1 3.37Å; V209-Q223 HydrophobicContact CG1-CG 3.84Å; F218-Q223 PolarHBondContact O-NE2 3.45Å; L219-Q223 HydrophobicContact CD2-CB 4.22Å; T220-Q223 WeakPolarHBondContact O-CB 3.35Å; T220-Q223 PolarHBondContact O-N 3.47Å; T220-Q223 PolarHBondContact OG1-NE2 3Å; I221-Q223 PolarHBondContact O-N 3.09Å; Q223-F308 WeakPolarHBondContact O-CA 3.23Å; Q223-S309 PolarHBondContact O-N 3.49Å; Q223-S309 PolarHBondContact OE1-OG 2.68Å
224C98.3Very high97.8Very high13 Ų1322.8 Ų22.89%0.08812%0.119CC..BIsolated β-bridgetrans-115.6134.8-177-57.20000109.9T220 I221 F308T220-C224 PolarHBondContact O-SG 2.83Å; I221-C224 PolarHBondContact O-N 3.06Å; C224-F308 HydrophobicContact CB-CD1 3.93Å; C224-F308 HydrophobicContact CB-CE1 3.82Å; C224-F308 VanDerWaalsContact SG-CD1 3.59Å
225C96.6Very high97.9Very high28 Ų2815.8 Ų15.819%0.1899%0.089CC..PPolyproline II helixtrans-63.3140171.967.60000111.5C307 L350 H355C225-C307 WeakPolarHBondContact CB-O 3.34Å; C225-C307 PolarHBondContact N-O 3.39Å; C225-C307 PolarHBondContact SG-O 3Å; C225-L350 HydrophobicContact CB-CB 3.92Å; C225-L350 VanDerWaalsContact CB-O 3.23Å; C225-L350 WeakPolarHBondContact CB-O 3.48Å; C225-H355 HydrophobicContact CB-CB 4.07Å
226P96.3Very high98Very high23 Ų2314.4 Ų14.415%0.1498%0.08CC..PPolyproline II helixtrans-78.9153.3170.435.5-38000110.6F200 I351 H355F200-P226 HydrophobicContact CD2-CG 4.1Å; F200-P226 HydrophobicContact CE2-CB 3.83Å; F200-P226 HydrophobicContact CE2-CG 3.56Å; F200-P226 HydrophobicContact CZ-CB 4.38Å; F200-P226 HydrophobicContact CZ-CG 4.47Å; P226-I351 VanDerWaalsContact CD-O 3.3Å; P226-I351 WeakPolarHBondContact CD-O 3.36Å; P226-H355 PolarHBondContact O-N 3.34Å
227T95.9Very high98Very high29 Ų2914 Ų1418%0.1788%0.079CC..PPolyproline II helixtrans-64.6140.2159.652.50000109.8P27 M124 S125 G127P27-T227 WeakPolarHBondContact CD-O 3.46Å; M124-T227 HydrophobicContact CE-CG2 3.79Å; M124-T227 HydrophobicContact SD-CG2 4.44Å; S125-T227 PolarHBondContact O-OG1 3.04Å; G127-T227 WeakPolarHBondContact O-CG2 3.29Å
228S97.3Very high98.1Very high0 Ų011.5 Ų11.50%07%0.065CC..  trans-145.5149.3-176.6-57.60000111.6V25 M124 Q199 G354 H355 P356V25-S228 CarbonylContact O-C 3.6Å; V25-S228 VanDerWaalsContact O-CA 3.26Å; V25-S228 WeakPolarHBondContact O-CA 3.22Å; M124-S228 WeakPolarHBondContact CG-O 3.43Å; Q199-S228 PolarHBondContact OE1-OG 2.95Å; S228-G354 WeakPolarHBondContact OG-CA 3.14Å; S228-H355 PolarHBondContact OG-N 3.19Å; S228-P356 WeakPolarHBondContact O-CA 3.37Å; S228-P356 WeakPolarHBondContact O-CB 3.33Å
229D97.9Very high98.2Very high14 Ų1413.7 Ų13.78%0.0758%0.076CC..BIsolated β-bridgetrans-92.9141.5165.7-61.5-13000108.4F24 V25 P27 L38 E122 M124F24-D229 WeakPolarHBondContact CA-O 3.4Å; V25-D229 HydrophobicContact CG2-CB 4.11Å; V25-D229 PolarHBondContact N-O 3.34Å; V25-D229 PolarHBondContact O-N 3.3Å; P27-D229 WeakPolarHBondContact CA-OD2 3.3Å; L38-D229 HydrophobicContact CD1-CB 4.25Å; E122-D229 WeakPolarHBondContact O-CA 3.33Å; M124-D229 PolarHBondContact N-OD1 2.88Å
230G98.3Very high98.2Very high0 Ų016.2 Ų16.20%010%0.097CC..EExtended strand (participates in β ladder)trans170.4168.6176.300000113.9T22 F121 E122T22-G230 WeakPolarHBondContact OG1-CA 3.4Å; F121-G230 WeakPolarHBondContact CA-O 3.3Å; E122-G230 PolarHBondContact N-O 3.29Å; E122-G230 PolarHBondContact O-N 2.86Å; E122-G230 VanDerWaalsContact O-N 3.09Å
231A98.9Very high98.2Very high0 Ų016.4 Ų16.40%010%0.097CC..EExtended strand (participates in β ladder)trans-138.4153.517500000111.8M21 T22 L38 A42 G120 F121M21-A231 CarbonylContact C-O 3.48Å; M21-A231 VanDerWaalsContact CA-O 3.3Å; M21-A231 WeakPolarHBondContact CA-O 3.5Å; M21-A231 WeakPolarHBondContact CB-O 3.3Å; T22-A231 HydrophobicContact CG2-CB 4.12Å; T22-A231 PolarHBondContact N-O 2.7Å; T22-A231 PolarHBondContact OG1-N 3.16Å; T22-A231 PolarHBondContact OG1-O 2.98Å; L38-A231 VanDerWaalsContact C-CB 3.45Å; L38-A231 HydrophobicContact CB-CB 3.9Å; L38-A231 WeakPolarHBondContact O-CB 3.48Å; A42-A231 HydrophobicContact CB-CB 3.73Å; G120-A231 CarbonylContact O-C 3.55Å; G120-A231 WeakPolarHBondContact O-CA 3.47Å; G120-A231 WeakPolarHBondContact O-CB 3.5Å; F121-A231 HydrophobicContact CB-CB 3.7Å
232A98.9Very high98.2Very high0 Ų012.2 Ų12.20%08%0.075CC..EExtended strand (participates in β ladder)trans-145.5152.2172.900000110.2G20 M21 G120 A359 L362 A363G20-A232 CarbonylContact O-C 3.38Å; G20-A232 VanDerWaalsContact O-CA 3.28Å; G20-A232 WeakPolarHBondContact O-CA 3.4Å; M21-A232 HydrophobicContact CB-CB 3.75Å; G120-A232 PolarHBondContact N-O 2.87Å; G120-A232 PolarHBondContact O-N 3.46Å; G120-A232 VanDerWaalsContact O-O 3.1Å; A232-A359 HydrophobicContact CB-CB 4.28Å; A232-L362 HydrophobicContact CB-CB 3.66Å; A232-L362 WeakPolarHBondContact O-CD1 3.3Å; A232-A363 HydrophobicContact CB-CB 4.08Å
233A98.9Very high98.1Very high0 Ų016.3 Ų16.30%09%0.094CC..EExtended strand (participates in β ladder)trans-145.7152.3-177.100000111.8V19 G20 A42 A46 L117 A118 L119V19-A233 WeakPolarHBondContact CA-O 3.46Å; G20-A233 PolarHBondContact N-O 3.19Å; G20-A233 PolarHBondContact O-N 3.11Å; A42-A233 HydrophobicContact CB-CB 4.31Å; A46-A233 HydrophobicContact CB-CB 3.8Å; L117-A233 HydrophobicContact CD1-CB 4.1Å; A118-A233 CarbonylContact O-C 3.57Å; A118-A233 WeakPolarHBondContact O-CA 3.49Å; L119-A233 HydrophobicContact CD1-CB 3.87Å
234A99Very high98Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-136.2137.5173.800000110.1V16 G18 V19 L101 A118 L236 L362V16-A234 HydrophobicContact CG1-CB 4.13Å; G18-A234 CarbonylContact O-C 3.51Å; G18-A234 WeakPolarHBondContact O-CA 3.28Å; V19-A234 HydrophobicContact CG1-CB 4.31Å; L101-A234 HydrophobicContact CD1-CB 4.38Å; A118-A234 PolarHBondContact N-O 2.76Å; A118-A234 PolarHBondContact O-N 2.99Å; A234-L236 HydrophobicContact CB-CD1 4.06Å; A234-L362 HydrophobicContact CB-CD2 3.85Å
235I98.9Very high97.9Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-97.3119.1169.4-56.3-56.3000107.8V16 V17 G18 A46 L47 A50 I52 L117V16-I235 WeakPolarHBondContact CA-O 3.27Å; V17-I235 HydrophobicContact CG2-CB 4.06Å; V17-I235 HydrophobicContact CG2-CG2 3.62Å; V17-I235 WeakPolarHBondContact CG2-O 3.34Å; V17-I235 PolarHBondContact N-O 3.42Å; G18-I235 PolarHBondContact O-N 3.09Å; A46-I235 HydrophobicContact CB-CG1 4.14Å; L47-I235 HydrophobicContact CD2-CD1 3.67Å; L47-I235 HydrophobicContact CD2-CG1 4.24Å; L47-I235 HydrophobicContact CG-CD1 4.13Å; A50-I235 HydrophobicContact CB-CB 4.08Å; A50-I235 HydrophobicContact CB-CG1 4.04Å; A50-I235 HydrophobicContact CB-CG2 4.18Å; I52-I235 HydrophobicContact CD1-CG2 3.71Å; L117-I235 HydrophobicContact CB-CD1 4.25Å; L117-I235 HydrophobicContact CD1-CD1 3.61Å
236L98.9Very high97.9Very high0 Ų028.1 Ų28.10%015%0.152CC..EExtended strand (participates in β ladder)trans-103.8141.5176-66.783000108.7V14 F15 V16 L101 A104 R105 I108 C115 V116 A118 A234 I254V14-L236 HydrophobicContact CG1-CB 4.35Å; V14-L236 HydrophobicContact CG1-CD2 4.04Å; F15-L236 CarbonylContact O-C 3.59Å; F15-L236 WeakPolarHBondContact O-CA 3.14Å; V16-L236 HydrophobicContact CG2-CG 4.34Å; L101-L236 HydrophobicContact CD1-CD1 3.65Å; L101-L236 HydrophobicContact CD1-CD2 3.78Å; L101-L236 HydrophobicContact CD1-CG 4.15Å; A104-L236 HydrophobicContact CB-CD1 3.96Å; A104-L236 HydrophobicContact CB-CD2 4.13Å; R105-L236 HydrophobicContact CB-CD2 4.08Å; I108-L236 HydrophobicContact CD1-CB 3.48Å; I108-L236 VanDerWaalsContact CD1-CB 3.48Å; I108-L236 VanDerWaalsContact CD1-O 3.24Å; I108-L236 WeakPolarHBondContact CD1-O 3.4Å; C115-L236 CarbonylContact C-O 3.44Å; C115-L236 WeakPolarHBondContact CA-O 3.49Å; V116-L236 PolarHBondContact N-O 2.85Å; V116-L236 PolarHBondContact O-N 2.87Å; A118-L236 HydrophobicContact CB-CD1 3.95Å; A234-L236 HydrophobicContact CB-CD1 4.06Å; L236-I254 HydrophobicContact CD2-CD1 3.86Å
237A98.9Very high97.9Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-139.3152.2-177.400000111.5F15 V17 E114 F241 V242F15-A237 PolarHBondContact N-O 2.96Å; F15-A237 PolarHBondContact O-N 2.75Å; V17-A237 HydrophobicContact CG1-CB 3.81Å; V17-A237 HydrophobicContact CG2-CB 3.84Å; E114-A237 CarbonylContact O-C 3.49Å; E114-A237 VanDerWaalsContact O-CA 3.3Å; E114-A237 WeakPolarHBondContact O-CA 3.43Å; A237-F241 HydrophobicContact CB-CB 4.14Å; A237-F241 HydrophobicContact CB-CD1 3.7Å; A237-F241 HydrophobicContact CB-CE1 4.48Å; A237-F241 HydrophobicContact CB-CG 4.17Å; A237-V242 HydrophobicContact CB-CG2 4.13Å
238S98.8Very high98Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-74.7165.2168.386.70000111.6R12 E114 A240 F241 V242R12-S238 PolarHBondContact NH2-OG 2.97Å; E114-S238 PolarHBondContact O-N 2.97Å; E114-S238 VanDerWaalsContact OE2-CB 3.28Å; E114-S238 WeakPolarHBondContact OE2-CB 3.47Å; E114-S238 PolarHBondContact OE2-OG 3.28Å; S238-A240 VanDerWaalsContact C-N 3.3Å; S238-A240 PolarHBondContact O-N 3.34Å; S238-A240 PolarHBondContact OG-N 3.35Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.98Å; S238-F241 VanDerWaalsContact OG-N 3.07Å; S238-V242 WeakPolarHBondContact O-CG2 3.44Å; S238-V242 PolarHBondContact O-N 2.85Å
239E98.4Very high97.9Very high59 Ų5929.8 Ų29.828%0.27616%0.159SC..Hα-helixtrans-57.9-41.8172.3-174.8154.1-165.200112.8R13 F15 F241 V242 Q243 F407R13-E239 WeakPolarHBondContact CD-OE2 3.45Å; R13-E239 IonicContact CZ-OE2 2.9Å; R13-E239 IonicContact NH1-OE1 2.83Å; R13-E239 PolarHBondContact NH1-OE1 3.09Å; R13-E239 IonicContact NH1-OE2 2.75Å; R13-E239 PolarHBondContact NH1-OE2 3.42Å; F15-E239 HydrophobicContact CE2-CB 3.7Å; F15-E239 HydrophobicContact CE2-CG 4.34Å; F15-E239 HydrophobicContact CZ-CB 4.3Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.32Å; E239-V242 WeakPolarHBondContact O-CB 3.49Å; E239-V242 PolarHBondContact O-N 3.18Å; E239-Q243 HydrophobicContact CG-CG 4.48Å; E239-Q243 WeakPolarHBondContact O-CG 3.38Å; E239-Q243 PolarHBondContact O-N 2.9Å; E239-Q243 PolarHBondContact OE1-NE2 3.33Å; E239-F407 HydrophobicContact CG-CZ 4.22Å
240A98Very high97.7Very high54 Ų5430.2 Ų30.245%0.44616%0.16SC..Hα-helixtrans-63.6-39.7179.500000111.4S238 Q243 K244S238-A240 VanDerWaalsContact C-N 3.3Å; S238-A240 PolarHBondContact O-N 3.34Å; S238-A240 PolarHBondContact OG-N 3.35Å; A240-Q243 PolarHBondContact O-N 2.92Å; A240-K244 VanDerWaalsContact O-CB 3.27Å; A240-K244 WeakPolarHBondContact O-CB 3.42Å; A240-K244 PolarHBondContact O-N 3.39Å
241F98.5Very high97.7Very high13 Ų1330.2 Ų30.26%0.05716%0.16CC..Hα-helixtrans-66.6-44.7174.9-168.7-78.5000111.3I52 A56 E114 C115 A237 S238 E239 Q243 K244 Y245 L247I52-F241 HydrophobicContact CD1-CE1 4.24Å; I52-F241 HydrophobicContact CD1-CZ 4.1Å; I52-F241 HydrophobicContact CG2-CE1 4.14Å; I52-F241 HydrophobicContact CG2-CZ 4.29Å; A56-F241 HydrophobicContact CB-CE2 4.44Å; A56-F241 HydrophobicContact CB-CZ 4.14Å; E114-F241 HydrophobicContact CB-CB 4.37Å; E114-F241 HydrophobicContact CB-CD2 4.06Å; C115-F241 HydrophobicContact CB-CD2 3.8Å; C115-F241 HydrophobicContact CB-CE1 4.28Å; C115-F241 HydrophobicContact CB-CE2 3.49Å; C115-F241 VanDerWaalsContact CB-CE2 3.49Å; C115-F241 HydrophobicContact CB-CG 4.31Å; C115-F241 HydrophobicContact CB-CZ 3.76Å; A237-F241 HydrophobicContact CB-CB 4.14Å; A237-F241 HydrophobicContact CB-CD1 3.7Å; A237-F241 HydrophobicContact CB-CE1 4.48Å; A237-F241 HydrophobicContact CB-CG 4.17Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.98Å; S238-F241 VanDerWaalsContact OG-N 3.07Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 PolarHBondContact O-N 3.32Å; F241-Q243 VanDerWaalsContact C-N 3.31Å; F241-Q243 PolarHBondContact O-N 3.46Å; F241-K244 PolarHBondContact O-N 3.38Å; F241-Y245 AromaticContact CD1-CD2 3.72Å; F241-Y245 HydrophobicContact CD1-CD2 3.72Å; F241-Y245 HydrophobicContact CD1-CE2 4.26Å; F241-Y245 HydrophobicContact CD1-CG 4.41Å; F241-Y245 HydrophobicContact CD2-CD2 4.07Å; F241-Y245 AromaticContact CD2-CE2 3.83Å; F241-Y245 HydrophobicContact CD2-CE2 3.83Å; F241-Y245 AromaticContact CE1-CD2 3.46Å; F241-Y245 HydrophobicContact CE1-CD2 3.46Å; F241-Y245 VanDerWaalsContact CE1-CD2 3.46Å; F241-Y245 AromaticContact CE1-CE2 3.81Å; F241-Y245 HydrophobicContact CE1-CE2 3.81Å; F241-Y245 AromaticContact CE1-CG 3.93Å; F241-Y245 HydrophobicContact CE1-CG 3.93Å; F241-Y245 AromaticContact CE2-CD2 3.84Å; F241-Y245 HydrophobicContact CE2-CD2 3.84Å; F241-Y245 AromaticContact CE2-CE2 3.34Å; F241-Y245 HydrophobicContact CE2-CE2 3.34Å; F241-Y245 HydrophobicContact CG-CD2 4.02Å; F241-Y245 HydrophobicContact CG-CE2 4.27Å; F241-Y245 AromaticContact CZ-CD2 3.52Å; F241-Y245 HydrophobicContact CZ-CD2 3.52Å; F241-Y245 HydrophobicContact CZ-CE1 4.45Å; F241-Y245 AromaticContact CZ-CE2 3.33Å; F241-Y245 HydrophobicContact CZ-CE2 3.33Å; F241-Y245 HydrophobicContact CZ-CG 4.19Å; F241-Y245 AromaticContact CZ-CZ 3.84Å; F241-Y245 WeakPolarHBondContact O-CD2 3.3Å; F241-Y245 PolarHBondContact O-N 2.9Å; F241-L247 HydrophobicContact CD1-CD1 4.33Å; F241-L247 HydrophobicContact CE1-CD1 4.14Å
242V98.6Very high97.7Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-55.2-46.8175.5169.70000111.2F15 V17 A237 S238 E239 G246 L247 Q248 A251 F407F15-V242 HydrophobicContact CB-CG2 4.06Å; F15-V242 HydrophobicContact CD2-CG2 3.81Å; F15-V242 HydrophobicContact CG-CG2 4.03Å; V17-V242 HydrophobicContact CG1-CG2 3.61Å; A237-V242 HydrophobicContact CB-CG2 4.13Å; S238-V242 WeakPolarHBondContact O-CG2 3.44Å; S238-V242 PolarHBondContact O-N 2.85Å; E239-V242 WeakPolarHBondContact O-CB 3.49Å; E239-V242 PolarHBondContact O-N 3.18Å; V242-G246 PolarHBondContact O-N 3.27Å; V242-L247 HydrophobicContact CG1-CB 4.22Å; V242-L247 PolarHBondContact O-N 2.75Å; V242-Q248 HydrophobicContact CG1-CG 4.03Å; V242-A251 HydrophobicContact CG1-CB 3.98Å; V242-A251 HydrophobicContact CG2-CB 4.15Å; V242-F407 HydrophobicContact CG1-CD2 4.35Å; V242-F407 HydrophobicContact CG1-CE2 3.7Å; V242-F407 HydrophobicContact CG1-CZ 4.3Å
243Q97.1Very high97.7Very high108 Ų10831.7 Ų31.751%0.50517%0.167SC..Hα-helixtrans-66.5-44.1178.8-69.2176.18.200112E239 A240 F241 Y245 G246E239-Q243 HydrophobicContact CG-CG 4.48Å; E239-Q243 WeakPolarHBondContact O-CG 3.38Å; E239-Q243 PolarHBondContact O-N 2.9Å; E239-Q243 PolarHBondContact OE1-NE2 3.33Å; A240-Q243 PolarHBondContact O-N 2.92Å; F241-Q243 VanDerWaalsContact C-N 3.31Å; F241-Q243 PolarHBondContact O-N 3.46Å; Q243-Y245 VanDerWaalsContact C-N 3.29Å; Q243-Y245 PolarHBondContact O-N 2.91Å; Q243-G246 PolarHBondContact O-N 2.86Å
244K96.2Very high97.7Very high157 Ų15732 Ų3268%0.68317%0.169SC*.Hα-helixtrans-59.2-38.3179.1176.9-179.7172.6-173.80112.7A240 F241A240-K244 VanDerWaalsContact O-CB 3.27Å; A240-K244 WeakPolarHBondContact O-CB 3.42Å; A240-K244 PolarHBondContact O-N 3.39Å; F241-K244 PolarHBondContact O-N 3.38Å
245Y95.4Very high97.7Very high86 Ų8634.4 Ų34.434%0.33718%0.182SC..Hα-helixtrans-1002.3-176.9-75.4-94000114I52 F241 Q243 L247I52-Y245 HydrophobicContact CG2-CD1 3.88Å; I52-Y245 HydrophobicContact CG2-CE1 4.24Å; I52-Y245 HydrophobicContact CG2-CG 4.34Å; F241-Y245 AromaticContact CD1-CD2 3.72Å; F241-Y245 HydrophobicContact CD1-CD2 3.72Å; F241-Y245 HydrophobicContact CD1-CE2 4.26Å; F241-Y245 HydrophobicContact CD1-CG 4.41Å; F241-Y245 HydrophobicContact CD2-CD2 4.07Å; F241-Y245 AromaticContact CD2-CE2 3.83Å; F241-Y245 HydrophobicContact CD2-CE2 3.83Å; F241-Y245 AromaticContact CE1-CD2 3.46Å; F241-Y245 HydrophobicContact CE1-CD2 3.46Å; F241-Y245 VanDerWaalsContact CE1-CD2 3.46Å; F241-Y245 AromaticContact CE1-CE2 3.81Å; F241-Y245 HydrophobicContact CE1-CE2 3.81Å; F241-Y245 AromaticContact CE1-CG 3.93Å; F241-Y245 HydrophobicContact CE1-CG 3.93Å; F241-Y245 AromaticContact CE2-CD2 3.84Å; F241-Y245 HydrophobicContact CE2-CD2 3.84Å; F241-Y245 AromaticContact CE2-CE2 3.34Å; F241-Y245 HydrophobicContact CE2-CE2 3.34Å; F241-Y245 HydrophobicContact CG-CD2 4.02Å; F241-Y245 HydrophobicContact CG-CE2 4.27Å; F241-Y245 AromaticContact CZ-CD2 3.52Å; F241-Y245 HydrophobicContact CZ-CD2 3.52Å; F241-Y245 HydrophobicContact CZ-CE1 4.45Å; F241-Y245 AromaticContact CZ-CE2 3.33Å; F241-Y245 HydrophobicContact CZ-CE2 3.33Å; F241-Y245 HydrophobicContact CZ-CG 4.19Å; F241-Y245 AromaticContact CZ-CZ 3.84Å; F241-Y245 WeakPolarHBondContact O-CD2 3.3Å; F241-Y245 PolarHBondContact O-N 2.9Å; Q243-Y245 VanDerWaalsContact C-N 3.29Å; Q243-Y245 PolarHBondContact O-N 2.91Å; Y245-L247 PolarHBondContact O-N 3.44Å
246G96.3Very high97.7Very high48 Ų4834.5 Ų34.550%0.49518%0.182SC..THydrogen-bonded Turntrans66.633.9178.400000114.1V242 Q243 Q248V242-G246 PolarHBondContact O-N 3.27Å; Q243-G246 PolarHBondContact O-N 2.86Å; G246-Q248 PolarHBondContact O-OE1 2.67Å
247L96.9Very high97.7Very high5 Ų534.5 Ų34.53%0.02618%0.182CC..  trans-93.511.7-170.5-55.8177.9000114.2V17 A50 I52 F241 V242 Y245 S249 K250 A251V17-L247 HydrophobicContact CB-CB 4.47Å; V17-L247 HydrophobicContact CB-CD1 4.03Å; V17-L247 HydrophobicContact CG1-CB 4.28Å; V17-L247 HydrophobicContact CG1-CD1 4.26Å; V17-L247 HydrophobicContact CG2-CD1 4.09Å; A50-L247 VanDerWaalsContact O-CD2 3.24Å; A50-L247 WeakPolarHBondContact O-CD2 3.38Å; I52-L247 HydrophobicContact CG2-CD1 4.33Å; F241-L247 HydrophobicContact CD1-CD1 4.33Å; F241-L247 HydrophobicContact CE1-CD1 4.14Å; V242-L247 HydrophobicContact CG1-CB 4.22Å; V242-L247 PolarHBondContact O-N 2.75Å; Y245-L247 PolarHBondContact O-N 3.44Å; L247-S249 PolarHBondContact O-N 3.01Å; L247-K250 PolarHBondContact O-N 3.21Å; L247-K250 VanDerWaalsContact O-N 3.09Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.19Å; L247-A251 VanDerWaalsContact O-N 3.08Å
248Q97.8Very high97.7Very high54 Ų5435.5 Ų35.525%0.25219%0.187SC..THydrogen-bonded Turntrans-57.9-35.3-172-64.788-21.300112.9V242 G246 K250 A251 F407 A410V242-Q248 HydrophobicContact CG1-CG 4.03Å; G246-Q248 PolarHBondContact O-OE1 2.67Å; Q248-K250 VanDerWaalsContact C-N 3.25Å; Q248-K250 PolarHBondContact O-N 3.15Å; Q248-A251 PolarHBondContact O-N 3.3Å; Q248-F407 HydrophobicContact CB-CB 3.94Å; Q248-F407 HydrophobicContact CB-CD2 3.89Å; Q248-F407 HydrophobicContact CB-CG 3.87Å; Q248-F407 HydrophobicContact CG-CD1 4.24Å; Q248-F407 HydrophobicContact CG-CD2 4.03Å; Q248-F407 HydrophobicContact CG-CE2 4.33Å; Q248-F407 HydrophobicContact CG-CG 3.99Å; Q248-A410 HydrophobicContact CB-CB 3.68Å
249S94.3Very high97.7Very high27 Ų2737.7 Ų37.719%0.18920%0.198CC..THydrogen-bonded Turntrans-67.1-24.1-178.857.70000113.7L247 M405L247-S249 PolarHBondContact O-N 3.01Å; S249-M405 VanDerWaalsContact O-CE 3.31Å; S249-M405 WeakPolarHBondContact O-CE 3.33Å
250K94.3Very high97.7Very high24 Ų2436 Ų3610%0.10419%0.19CC..THydrogen-bonded Turntrans-107.4-12.1-179.1-64.1-171.9172.4-160.40113.8D49 L247 Q248 V252D49-K250 WeakPolarHBondContact O-CD 3.13Å; D49-K250 PolarHBondContact O-NZ 3.17Å; D49-K250 IonicContact OD1-NZ 2.9Å; D49-K250 PolarHBondContact OD1-NZ 2.97Å; L247-K250 PolarHBondContact O-N 3.21Å; L247-K250 VanDerWaalsContact O-N 3.09Å; Q248-K250 VanDerWaalsContact C-N 3.25Å; Q248-K250 PolarHBondContact O-N 3.15Å; K250-V252 PolarHBondContact O-N 2.98Å; K250-V252 VanDerWaalsContact O-N 3.11Å
251A98.6Very high97.7Very high0 Ų037.5 Ų37.50%019%0.194CC..  trans-69.5105.7-173.800000112F15 V17 V242 L247 Q248 G406 F407F15-A251 HydrophobicContact CB-CB 3.98Å; F15-A251 HydrophobicContact CD1-CB 3.94Å; F15-A251 HydrophobicContact CG-CB 4.1Å; V17-A251 HydrophobicContact CG1-CB 4.23Å; V242-A251 HydrophobicContact CG1-CB 3.98Å; V242-A251 HydrophobicContact CG2-CB 4.15Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.19Å; L247-A251 VanDerWaalsContact O-N 3.08Å; Q248-A251 PolarHBondContact O-N 3.3Å; A251-G406 PolarHBondContact O-N 3.23Å; A251-F407 HydrophobicContact CB-CD2 3.94Å; A251-F407 HydrophobicContact CB-CE2 4.06Å
252V98.9Very high97.7Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-94.8111.8172.4177.90000108.3F15 V16 K250 C369 L372 R373 Y403 K404 M405F15-V252 CarbonylContact C-O 3.58Å; F15-V252 VanDerWaalsContact CA-O 3.27Å; F15-V252 WeakPolarHBondContact CA-O 3.44Å; V16-V252 HydrophobicContact CB-CB 4.49Å; V16-V252 PolarHBondContact N-O 3.14Å; V16-V252 PolarHBondContact O-N 3.01Å; K250-V252 PolarHBondContact O-N 2.98Å; K250-V252 VanDerWaalsContact O-N 3.11Å; V252-C369 HydrophobicContact CG2-CB 4.19Å; V252-L372 HydrophobicContact CG1-CD1 3.7Å; V252-L372 HydrophobicContact CG2-CB 4.48Å; V252-R373 HydrophobicContact CG2-CG 4.1Å; V252-Y403 HydrophobicContact CG1-CD1 4.05Å; V252-Y403 HydrophobicContact CG1-CG 4.31Å; V252-K404 CarbonylContact C-O 3.46Å; V252-M405 HydrophobicContact CG2-SD 3.67Å
253E98.9Very high97.7Very high31 Ų3141.2 Ų41.215%0.14521%0.214CC..EExtended strand (participates in β ladder)trans-73.8137.4179.6-173.9168.8-168.700112R13 V14 F15 L255 Y403 K404R13-E253 WeakPolarHBondContact CG-OE1 3.35Å; R13-E253 IonicContact CZ-OE1 2.68Å; R13-E253 IonicContact CZ-OE2 2.91Å; R13-E253 IonicContact NE-OE1 3.08Å; R13-E253 PolarHBondContact NE-OE1 3.35Å; R13-E253 IonicContact NE-OE2 3.24Å; R13-E253 PolarHBondContact NE-OE2 3.39Å; R13-E253 IonicContact NH2-OE1 2.59Å; R13-E253 IonicContact NH2-OE2 3.85Å; R13-E253 PolarHBondContact NH2-OE2 3.5Å; V14-E253 WeakPolarHBondContact O-CA 3.38Å; F15-E253 HydrophobicContact CD1-CB 3.73Å; F15-E253 HydrophobicContact CD1-CG 4.23Å; F15-E253 HydrophobicContact CE1-CB 3.77Å; F15-E253 HydrophobicContact CE1-CG 3.97Å; E253-L255 HydrophobicContact CB-CD2 4.49Å; E253-L255 HydrophobicContact CG-CD2 4.08Å; E253-L255 PolarHBondContact O-N 2.82Å; E253-Y403 VanDerWaalsContact O-CA 3.26Å; E253-Y403 WeakPolarHBondContact O-CA 3.22Å; E253-K404 PolarHBondContact N-O 2.73Å; E253-K404 PolarHBondContact O-N 3.18Å; E253-K404 VanDerWaalsContact O-N 3.09Å
254I98.9Very high97.7Very high5 Ų539.9 Ų39.93%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-86.5101.6166.4-63.3171.5000108.1V14 V16 R105 L236 Q257 T401 Y403V14-I254 PolarHBondContact O-N 2.92Å; V16-I254 HydrophobicContact CG2-CD1 4.1Å; V16-I254 HydrophobicContact CG2-CG1 4.26Å; R105-I254 HydrophobicContact CB-CD1 4.28Å; R105-I254 HydrophobicContact CG-CD1 4.05Å; R105-I254 HydrophobicContact CG-CG2 4.34Å; L236-I254 HydrophobicContact CD2-CD1 3.86Å; I254-Q257 HydrophobicContact CG2-CB 3.88Å; I254-T401 HydrophobicContact CG1-CG2 4.36Å; I254-T401 HydrophobicContact CG2-CG2 3.65Å; I254-Y403 HydrophobicContact CD1-CE1 4.31Å; I254-Y403 HydrophobicContact CG1-CD1 3.86Å; I254-Y403 HydrophobicContact CG1-CE1 3.66Å
255L98.5Very high97.8Very high52 Ų5233 Ų3327%0.27219%0.186SC..EExtended strand (participates in β ladder)trans-71.1-45.9-177.5-61.4-179.4000111.8E253 L294 L402 K404E253-L255 HydrophobicContact CB-CD2 4.49Å; E253-L255 HydrophobicContact CG-CD2 4.08Å; E253-L255 PolarHBondContact O-N 2.82Å; L255-L294 HydrophobicContact CD1-CD1 3.82Å; L255-L402 HydrophobicContact CB-CB 4.28Å; L255-L402 PolarHBondContact N-O 2.86Å; L255-K404 HydrophobicContact CD1-CB 3.75Å; L255-K404 HydrophobicContact CD1-CD 4.46Å; L255-K404 HydrophobicContact CD2-CB 4.29Å; L255-K404 HydrophobicContact CG-CB 4.12Å
256A98.7Very high97.9Very high1 Ų129 Ų291%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-148.5146.8176.800000109.5C288 K291 T401 L402A256-C288 HydrophobicContact CB-CB 4.1Å; A256-C288 WeakPolarHBondContact CB-O 3.43Å; A256-K291 HydrophobicContact CB-CB 4.07Å; A256-T401 CarbonylContact O-C 3.57Å; A256-T401 WeakPolarHBondContact O-CA 3.36Å; A256-L402 HydrophobicContact CB-CD1 4.38Å; A256-L402 PolarHBondContact O-N 2.78Å
257Q98.9Very high98Very high1 Ų130.3 Ų30.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-152.1120.3177.2-169.217553.500110.3F102 I254 V399 V400 T401F102-Q257 HydrophobicContact CD2-CG 3.96Å; I254-Q257 HydrophobicContact CG2-CB 3.88Å; Q257-V399 HydrophobicContact CG-CG1 4.01Å; Q257-V400 VanDerWaalsContact CA-O 3.31Å; Q257-V400 WeakPolarHBondContact CA-O 3.47Å; Q257-T401 HydrophobicContact CB-CG2 3.98Å; Q257-T401 HydrophobicContact CG-CG2 3.87Å; Q257-T401 WeakPolarHBondContact CG-OG1 3.38Å; Q257-T401 PolarHBondContact NE2-OG1 2.94Å
258E98.8Very high98Very high21 Ų2137.2 Ų37.210%0.09820%0.195CC..EExtended strand (participates in β ladder)trans-127.3133.2-175.9-61.9-59.7125.400110.8A284 K287 K291 V399 V400E258-A284 HydrophobicContact CB-CB 4.43Å; E258-K287 HydrophobicContact CB-CB 4.4Å; E258-K287 HydrophobicContact CG-CB 3.66Å; E258-K291 WeakPolarHBondContact OE1-CD 3.44Å; E258-K291 VanDerWaalsContact OE1-CE 3.24Å; E258-K291 WeakPolarHBondContact OE1-CE 3.26Å; E258-K291 IonicContact OE1-NZ 2.79Å; E258-K291 PolarHBondContact OE1-NZ 2.95Å; E258-K291 IonicContact OE2-NZ 3.88Å; E258-K291 PolarHBondContact OE2-NZ 3.32Å; E258-V399 WeakPolarHBondContact O-CA 3.5Å; E258-V400 PolarHBondContact N-O 2.99Å; E258-V400 PolarHBondContact O-N 2.75Å
259M98.8Very high97.9Very high46 Ų4640 Ų4023%0.22721%0.208CC..EExtended strand (participates in β ladder)trans-104130.7167.1-176.2-179.4-70.100108.7T99 F102 A397 V398 V399T99-M259 HydrophobicContact CG2-CE 4.07Å; F102-M259 HydrophobicContact CB-CE 4.09Å; F102-M259 HydrophobicContact CD1-CE 3.79Å; F102-M259 HydrophobicContact CD2-CB 4.09Å; F102-M259 HydrophobicContact CE1-CB 4.26Å; F102-M259 HydrophobicContact CE1-CE 4.33Å; F102-M259 HydrophobicContact CE2-CB 3.76Å; F102-M259 HydrophobicContact CG-CB 4.49Å; F102-M259 HydrophobicContact CG-CE 3.91Å; F102-M259 HydrophobicContact CZ-CB 3.84Å; M259-A397 HydrophobicContact CG-CB 4.08Å; M259-A397 HydrophobicContact SD-CB 4.25Å; M259-V398 CarbonylContact C-O 3.55Å; M259-V398 VanDerWaalsContact CA-O 3.24Å; M259-V398 WeakPolarHBondContact CA-O 2.93Å; M259-V399 HydrophobicContact CB-CG2 4.2Å; M259-V399 HydrophobicContact CE-CG2 3.61Å; M259-V399 HydrophobicContact CG-CG2 4.07Å
260M98.6Very high98Very high23 Ų2346.2 Ų46.211%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-124.1138.8171.6-66.3-63.9-58.500109.2L263 M280 E283 A284 K287 A397 V398M260-L263 HydrophobicContact CE-CD2 4.39Å; M260-M280 HydrophobicContact CB-CB 4.37Å; M260-M280 WeakPolarHBondContact O-CE 3.42Å; M260-E283 HydrophobicContact CE-CB 4.05Å; M260-E283 HydrophobicContact CE-CG 3.42Å; M260-E283 VanDerWaalsContact CE-CG 3.42Å; M260-E283 HydrophobicContact CG-CB 4.4Å; M260-E283 HydrophobicContact CG-CG 4.37Å; M260-E283 HydrophobicContact SD-CG 4.02Å; M260-A284 HydrophobicContact CB-CB 4.16Å; M260-A284 HydrophobicContact CG-CB 3.64Å; M260-K287 HydrophobicContact SD-CD 3.99Å; M260-K287 PolarHBondContact SD-NZ 3.24Å; M260-A397 CarbonylContact O-C 3.53Å; M260-A397 VanDerWaalsContact O-CA 3.29Å; M260-A397 WeakPolarHBondContact O-CA 3.32Å; M260-V398 HydrophobicContact CB-CG1 3.85Å; M260-V398 PolarHBondContact N-O 3.31Å; M260-V398 PolarHBondContact O-N 3.45Å
261T98.7Very high98.2Very high86 Ų8645.6 Ų45.653%0.52823%0.23SC..EExtended strand (participates in β ladder)trans-101.6173.717058.30000110M280 G396 A397T261-M280 WeakPolarHBondContact O-CG 3.38Å; T261-G396 WeakPolarHBondContact CA-O 3.28Å; T261-A397 HydrophobicContact CG2-CB 4.32Å
262D98.4Very high98.1Very high32 Ų3245.6 Ų45.617%0.17123%0.23CC..  trans-46.9141.5177.4-70.8-88000113.5H143 S266 F267 M280 G396H143-D262 IonicContact CD2-OD1 3.67Å; H143-D262 IonicContact CE1-OD1 3.64Å; H143-D262 IonicContact CE1-OD2 2.74Å; H143-D262 IonicContact NE2-OD1 3.7Å; H143-D262 PolarHBondContact NE2-OD1 3.37Å; H143-D262 IonicContact NE2-OD2 2.86Å; H143-D262 PolarHBondContact NE2-OD2 2.84Å; D262-S266 VanDerWaalsContact OD1-CB 3.27Å; D262-S266 WeakPolarHBondContact OD1-CB 3.45Å; D262-S266 PolarHBondContact OD1-OG 3.45Å; D262-F267 HydrophobicContact CB-CE2 3.93Å; D262-F267 HydrophobicContact CB-CZ 4.17Å; D262-M280 HydrophobicContact CB-SD 4.34Å; D262-G396 PolarHBondContact OD2-N 3.42Å
263L98.2Very high98.1Very high59 Ų5946 Ų4631%0.30923%0.233SC..  trans-106.4165.8172.7-63.7171.6000108.8M260 S265 S266 D279M260-L263 HydrophobicContact CE-CD2 4.39Å; L263-S265 PolarHBondContact O-N 3.38Å; L263-S266 VanDerWaalsContact O-CB 3.28Å; L263-S266 WeakPolarHBondContact O-CB 3.45Å; L263-S266 PolarHBondContact O-N 2.99Å; L263-S266 PolarHBondContact O-OG 3.48Å; L263-D279 HydrophobicContact CD1-CB 4.08Å
264P98.3Very high98.1Very high80 Ų8046 Ų4652%0.51923%0.232SC..THydrogen-bonded Turntrans-51.8-32174.8-29.136.6000113.8S266 F267 E268P264-S266 PolarHBondContact O-N 3.47Å; P264-F267 PolarHBondContact O-N 3.07Å; P264-E268 HydrophobicContact CB-CG 4.46Å; P264-E268 WeakPolarHBondContact O-CB 3.27Å; P264-E268 WeakPolarHBondContact O-CG 3.31Å; P264-E268 PolarHBondContact O-N 3.45Å
265S97.8Very high98.1Very high12 Ų1245.7 Ų45.78%0.08423%0.23CC..Hα-helixtrans-61-24.217761.50000114.1L263 F267 E269 K274 D279L263-S265 PolarHBondContact O-N 3.38Å; S265-F267 PolarHBondContact O-N 3.26Å; S265-E269 WeakPolarHBondContact CB-OE1 3.42Å; S265-K274 VanDerWaalsContact O-CB 3.3Å; S265-K274 WeakPolarHBondContact O-CB 3.26Å; S265-D279 VanDerWaalsContact CB-OD2 3.22Å; S265-D279 WeakPolarHBondContact CB-OD2 3.28Å; S265-D279 PolarHBondContact OG-OD2 3.38Å
266S97.6Very high98.1Very high1 Ų143.3 Ų43.31%0.00722%0.218CC..Hα-helixtrans-58.9-28.1172.8-67.50000112.5D262 L263 P264 M275D262-S266 VanDerWaalsContact OD1-CB 3.27Å; D262-S266 WeakPolarHBondContact OD1-CB 3.45Å; D262-S266 PolarHBondContact OD1-OG 3.45Å; L263-S266 VanDerWaalsContact O-CB 3.28Å; L263-S266 WeakPolarHBondContact O-CB 3.45Å; L263-S266 PolarHBondContact O-N 2.99Å; L263-S266 PolarHBondContact O-OG 3.48Å; P264-S266 PolarHBondContact O-N 3.47Å; S266-M275 WeakPolarHBondContact O-CA 3.31Å; S266-M275 WeakPolarHBondContact O-CB 3.49Å
267F98Very high98.1Very high77 Ų7743.3 Ų43.334%0.33822%0.218SC..Hα-helixtrans-122.9-35.4-171-50.8-67.5000113.7K142 H143 V146 D262 P264 S265K142-F267 HydrophobicContact CB-CD1 4.24Å; K142-F267 HydrophobicContact CB-CE1 4.01Å; H143-F267 AromaticContact CD2-CE1 3.94Å; H143-F267 AromaticContact CE1-CE1 3.69Å; H143-F267 AromaticContact CE1-CZ 3.52Å; H143-F267 AromaticContact CG-CE1 3.94Å; H143-F267 AromaticContact ND1-CE1 3.81Å; H143-F267 AromaticContact NE2-CE1 3.78Å; H143-F267 AromaticContact NE2-CZ 3.67Å; V146-F267 HydrophobicContact CG2-CD1 4.26Å; D262-F267 HydrophobicContact CB-CE2 3.93Å; D262-F267 HydrophobicContact CB-CZ 4.17Å; P264-F267 PolarHBondContact O-N 3.07Å; S265-F267 PolarHBondContact O-N 3.26Å
268E97Very high98.1Very high149 Ų14943.7 Ų43.770%0.69622%0.22SC*.Hα-helixtrans-87.6-31.6-169.5-64.2179.9-17300113.5P264 K270P264-E268 HydrophobicContact CB-CG 4.46Å; P264-E268 WeakPolarHBondContact O-CB 3.27Å; P264-E268 WeakPolarHBondContact O-CG 3.31Å; P264-E268 PolarHBondContact O-N 3.45Å; E268-K270 PolarHBondContact O-N 3.12Å
269E96.5Very high98.1Very high113 Ų11343.8 Ų43.853%0.52822%0.221SC..SBendtrans-78-3.7-176.4-71.9-174.2-156.100113.9S265 S271 K274S265-E269 WeakPolarHBondContact CB-OE1 3.42Å; E269-S271 PolarHBondContact O-N 2.83Å; E269-K274 IonicContact OE2-NZ 3.43Å
270K95.3Very high98.1Very high157 Ų15741.8 Ų41.868%0.68321%0.211SC*.  trans52.639.4-178.9-52.8178.2-175.2177.80112.3K150 E268K150-K270 VanDerWaalsContact CD-O 3.31Å; K150-K270 WeakPolarHBondContact CD-O 3.38Å; K150-K270 PolarHBondContact NZ-O 3.46Å; E268-K270 PolarHBondContact O-N 3.12Å
271S98.1Very high98.1Very high11 Ų1140.8 Ų40.88%0.07721%0.206CC..  trans-116127.1177.5176.90000110.2E169 E269 I273 K274 M275E169-S271 VanDerWaalsContact CD-OG 3.3Å; E169-S271 WeakPolarHBondContact OE1-CA 3.42Å; E169-S271 VanDerWaalsContact OE1-CB 3.26Å; E169-S271 WeakPolarHBondContact OE1-CB 3.22Å; E169-S271 PolarHBondContact OE1-OG 2.92Å; E169-S271 PolarHBondContact OE2-OG 3.47Å; E269-S271 PolarHBondContact O-N 2.83Å; S271-I273 VanDerWaalsContact C-N 3.31Å; S271-I273 PolarHBondContact OG-N 2.9Å; S271-K274 PolarHBondContact O-N 3.37Å; S271-K274 PolarHBondContact OG-N 2.88Å; S271-M275 WeakPolarHBondContact O-CB 3.28Å; S271-M275 PolarHBondContact O-N 3.02Å
272V98.1Very high98.1Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-71.5-32.5175.9-1710000109.8L147 K150 Y151 M162 A166 E169 K274 M275 V276L147-V272 HydrophobicContact CD1-CG1 4.27Å; K150-V272 HydrophobicContact CD-CG2 4.11Å; Y151-V272 HydrophobicContact CD2-CG2 3.75Å; Y151-V272 HydrophobicContact CE2-CG2 3.69Å; M162-V272 VanDerWaalsContact O-CG1 3.32Å; M162-V272 WeakPolarHBondContact O-CG1 3.29Å; A166-V272 HydrophobicContact CB-CB 4.44Å; A166-V272 HydrophobicContact CB-CG1 3.97Å; E169-V272 PolarHBondContact OE2-N 2.91Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 3.49Å; V272-M275 HydrophobicContact CG1-CE 3.54Å; V272-M275 PolarHBondContact O-N 2.88Å; V272-V276 HydrophobicContact CG1-CG1 4.46Å; V272-V276 WeakPolarHBondContact O-CG1 3.38Å; V272-V276 WeakPolarHBondContact O-CG2 3.22Å; V272-V276 PolarHBondContact O-N 2.98Å
273I98.6Very high98.1Very high10 Ų1041.6 Ų41.65%0.05120%0.202CC..Hα-helixtrans-57.3-45.2172.1-65.9172.7000110.5A166 E169 H170 S271 V276 F278 L314A166-I273 HydrophobicContact CB-CG1 4.35Å; A166-I273 WeakPolarHBondContact O-CG1 3.3Å; E169-I273 HydrophobicContact CB-CD1 4.13Å; E169-I273 HydrophobicContact CB-CG1 4.16Å; E169-I273 HydrophobicContact CG-CD1 3.82Å; E169-I273 HydrophobicContact CG-CG1 4.11Å; H170-I273 HydrophobicContact CB-CD1 4.01Å; S271-I273 VanDerWaalsContact C-N 3.31Å; S271-I273 PolarHBondContact OG-N 2.9Å; I273-V276 WeakPolarHBondContact O-CG2 3.06Å; I273-F278 HydrophobicContact CG2-CB 3.74Å; I273-F278 HydrophobicContact CG2-CD2 3.81Å; I273-F278 HydrophobicContact CG2-CG 3.86Å; I273-F278 VanDerWaalsContact O-CB 3.27Å; I273-F278 WeakPolarHBondContact O-CB 3.26Å; I273-F278 PolarHBondContact O-N 3.25Å; I273-L314 HydrophobicContact CD1-CD2 4.24Å; I273-L314 HydrophobicContact CG1-CD1 4.36Å; I273-L314 HydrophobicContact CG1-CD2 4.17Å; I273-L314 HydrophobicContact CG2-CD1 4.28Å; I273-L314 HydrophobicContact CG2-CD2 4.09Å
274K98.5Very high98.2Very high29 Ų2938.8 Ų38.813%0.12619%0.187CC..Hα-helixtrans-70.4-43.8178.6-56.5-60.8-167.6142.60111.8S265 E269 S271 V272 V276 G277 F278 D279S265-K274 VanDerWaalsContact O-CB 3.3Å; S265-K274 WeakPolarHBondContact O-CB 3.26Å; E269-K274 IonicContact OE2-NZ 3.43Å; S271-K274 PolarHBondContact O-N 3.37Å; S271-K274 PolarHBondContact OG-N 2.88Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 3.49Å; K274-V276 VanDerWaalsContact C-N 3.26Å; K274-V276 PolarHBondContact O-N 3.03Å; K274-G277 PolarHBondContact O-N 2.84Å; K274-F278 HydrophobicContact CD-CB 4.38Å; K274-F278 HydrophobicContact CD-CD1 4.37Å; K274-D279 WeakPolarHBondContact CD-OD2 3.45Å; K274-D279 IonicContact NZ-OD1 3.68Å; K274-D279 PolarHBondContact NZ-OD1 2.97Å; K274-D279 IonicContact NZ-OD2 2.71Å; K274-D279 PolarHBondContact NZ-OD2 3.22Å
275M98.5Very high98.2Very high0 Ų035 Ų350%016%0.163CC..Hα-helixtrans-56.8-38176.6178.7-80.3-65.600112.6H143 V146 L147 M162 S266 S271 V272 G277H143-M275 HydrophobicContact CB-CG 3.92Å; H143-M275 HydrophobicContact CB-SD 3.69Å; H143-M275 PolarHBondContact CD2-O 3.28Å; H143-M275 WeakPolarHBondContact O-CG 3.45Å; V146-M275 HydrophobicContact CB-CB 4.34Å; V146-M275 HydrophobicContact CB-CG 4.12Å; V146-M275 HydrophobicContact CG1-CB 4.08Å; V146-M275 HydrophobicContact CG1-CG 4.4Å; V146-M275 HydrophobicContact CG2-CG 4.44Å; L147-M275 HydrophobicContact CB-CE 4.33Å; L147-M275 HydrophobicContact CD1-CE 4.31Å; M162-M275 HydrophobicContact CB-CE 4.21Å; M162-M275 HydrophobicContact CG-CE 4.1Å; S266-M275 WeakPolarHBondContact O-CA 3.31Å; S266-M275 WeakPolarHBondContact O-CB 3.49Å; S271-M275 WeakPolarHBondContact O-CB 3.28Å; S271-M275 PolarHBondContact O-N 3.02Å; V272-M275 HydrophobicContact CG1-CE 3.54Å; V272-M275 PolarHBondContact O-N 2.88Å; M275-G277 PolarHBondContact O-N 3.24Å
276V98.5Very high98.2Very high1 Ų139.8 Ų39.81%0.00618%0.179CC..THydrogen-bonded Turntrans-79.813.3175.7-57.20000113.8M162 F163 A166 V272 I273 K274 L314 L392 L394M162-V276 HydrophobicContact CB-CG1 4.15Å; F163-V276 HydrophobicContact CD1-CB 4.12Å; F163-V276 HydrophobicContact CD1-CG1 4.15Å; F163-V276 HydrophobicContact CD1-CG2 4.25Å; F163-V276 HydrophobicContact CE1-CB 3.68Å; F163-V276 HydrophobicContact CE1-CG1 4.04Å; F163-V276 HydrophobicContact CE1-CG2 4.12Å; F163-V276 HydrophobicContact CZ-CB 4.28Å; F163-V276 HydrophobicContact CZ-CG1 4.44Å; A166-V276 HydrophobicContact CB-CG1 4.35Å; A166-V276 HydrophobicContact CB-CG2 3.84Å; V272-V276 HydrophobicContact CG1-CG1 4.46Å; V272-V276 WeakPolarHBondContact O-CG1 3.38Å; V272-V276 WeakPolarHBondContact O-CG2 3.22Å; V272-V276 PolarHBondContact O-N 2.98Å; I273-V276 WeakPolarHBondContact O-CG2 3.06Å; K274-V276 VanDerWaalsContact C-N 3.26Å; K274-V276 PolarHBondContact O-N 3.03Å; V276-L314 HydrophobicContact CG2-CD1 4.09Å; V276-L392 WeakPolarHBondContact O-CD2 3.34Å; V276-L394 HydrophobicContact CB-CD2 4.4Å
277G98.6Very high98.3Very high1 Ų142.7 Ų42.71%0.0119%0.191CC..THydrogen-bonded Turntrans98.213.6165.900000116.5K274 M275 D279 M280 S281K274-G277 PolarHBondContact O-N 2.84Å; M275-G277 PolarHBondContact O-N 3.24Å; G277-D279 PolarHBondContact O-N 3.02Å; G277-M280 WeakPolarHBondContact O-CB 3.39Å; G277-M280 PolarHBondContact O-N 3.39Å; G277-M280 VanDerWaalsContact O-N 3.15Å; G277-S281 PolarHBondContact O-N 2.82Å; G277-S281 PolarHBondContact O-OG 2.81Å
278F98.8Very high98.3Very high10 Ų1039 Ų394%0.04418%0.175CC..Hα-helixtrans-52.4-48.5-178.9-177-84.3000113.4I273 K274 S281 K282 L314 E317 A318 E324I273-F278 HydrophobicContact CG2-CB 3.74Å; I273-F278 HydrophobicContact CG2-CD2 3.81Å; I273-F278 HydrophobicContact CG2-CG 3.86Å; I273-F278 VanDerWaalsContact O-CB 3.27Å; I273-F278 WeakPolarHBondContact O-CB 3.26Å; I273-F278 PolarHBondContact O-N 3.25Å; K274-F278 HydrophobicContact CD-CB 4.38Å; K274-F278 HydrophobicContact CD-CD1 4.37Å; F278-S281 PolarHBondContact O-N 3.3Å; F278-K282 HydrophobicContact CE1-CD 4.11Å; F278-K282 WeakPolarHBondContact O-CB 3.18Å; F278-K282 PolarHBondContact O-N 3.46Å; F278-L314 HydrophobicContact CD2-CB 4.3Å; F278-L314 WeakPolarHBondContact CE2-O 3.48Å; F278-E317 HydrophobicContact CE2-CB 3.9Å; F278-E317 HydrophobicContact CZ-CB 4.09Å; F278-A318 HydrophobicContact CD2-CB 3.95Å; F278-A318 HydrophobicContact CE2-CB 3.87Å; F278-A318 HydrophobicContact CG-CB 4.32Å; F278-A318 HydrophobicContact CZ-CB 4.15Å; F278-E324 HydrophobicContact CZ-CG 4.03Å
279D98.8Very high98.4Very high23 Ų2333.2 Ų33.212%0.12315%0.147CC..Hα-helixtrans-73-29.9-178.4-76.3-14.3000112.7L263 S265 K274 G277 K282 E283L263-D279 HydrophobicContact CD1-CB 4.08Å; S265-D279 VanDerWaalsContact CB-OD2 3.22Å; S265-D279 WeakPolarHBondContact CB-OD2 3.28Å; S265-D279 PolarHBondContact OG-OD2 3.38Å; K274-D279 WeakPolarHBondContact CD-OD2 3.45Å; K274-D279 IonicContact NZ-OD1 3.68Å; K274-D279 PolarHBondContact NZ-OD1 2.97Å; K274-D279 IonicContact NZ-OD2 2.71Å; K274-D279 PolarHBondContact NZ-OD2 3.22Å; G277-D279 PolarHBondContact O-N 3.02Å; D279-K282 PolarHBondContact O-N 2.75Å; D279-E283 VanDerWaalsContact O-CB 3.31Å; D279-E283 WeakPolarHBondContact O-CB 3.42Å; D279-E283 PolarHBondContact O-N 2.71Å
280M98.8Very high98.5Very high4 Ų434.1 Ų34.12%0.0215%0.151CC..Hα-helixtrans-61.3-49.7172-57.5166.551.600109.5M260 T261 D262 G277 K282 E283 A284 L392 V398M260-M280 HydrophobicContact CB-CB 4.37Å; M260-M280 WeakPolarHBondContact O-CE 3.42Å; T261-M280 WeakPolarHBondContact O-CG 3.38Å; D262-M280 HydrophobicContact CB-SD 4.34Å; G277-M280 WeakPolarHBondContact O-CB 3.39Å; G277-M280 PolarHBondContact O-N 3.39Å; G277-M280 VanDerWaalsContact O-N 3.15Å; M280-K282 PolarHBondContact O-N 3.12Å; M280-E283 PolarHBondContact O-N 2.99Å; M280-A284 VanDerWaalsContact O-CB 3.31Å; M280-A284 WeakPolarHBondContact O-CB 3.34Å; M280-A284 PolarHBondContact O-N 3.11Å; M280-L392 HydrophobicContact CE-CD1 4.21Å; M280-V398 HydrophobicContact CB-CB 4.43Å; M280-V398 HydrophobicContact CB-CG1 3.71Å; M280-V398 HydrophobicContact CE-CB 4.42Å; M280-V398 HydrophobicContact CE-CG1 4.42Å; M280-V398 WeakPolarHBondContact O-CG1 3.25Å
281S98.9Very high98.6Very high2 Ų233 Ų331%0.01415%0.146CC..Hα-helixtrans-61.5-43.7179-63.30000111.7G277 F278 A284 A285 H390G277-S281 PolarHBondContact O-N 2.82Å; G277-S281 PolarHBondContact O-OG 2.81Å; F278-S281 PolarHBondContact O-N 3.3Å; S281-A284 PolarHBondContact O-N 3.3Å; S281-A285 WeakPolarHBondContact O-CB 3.46Å; S281-A285 PolarHBondContact O-N 3.43Å; S281-H390 WeakPolarHBondContact CB-NE2 3.37Å; S281-H390 PolarHBondContact OG-NE2 3.37Å
282K98.9Very high98.6Very high87 Ų8734 Ų3438%0.37815%0.153SC..Hα-helixtrans-60.6-47.6177.1-175.1176.5-178.4176.70112F278 D279 M280 A285 R286 A318 E324F278-K282 HydrophobicContact CE1-CD 4.11Å; F278-K282 WeakPolarHBondContact O-CB 3.18Å; F278-K282 PolarHBondContact O-N 3.46Å; D279-K282 PolarHBondContact O-N 2.75Å; M280-K282 PolarHBondContact O-N 3.12Å; K282-A285 PolarHBondContact O-N 3.01Å; K282-R286 VanDerWaalsContact O-CB 3.3Å; K282-R286 WeakPolarHBondContact O-CB 3.35Å; K282-R286 PolarHBondContact O-N 3.49Å; K282-A318 VanDerWaalsContact CA-O 3.28Å; K282-A318 WeakPolarHBondContact CA-O 3.48Å; K282-A318 HydrophobicContact CB-CB 4.38Å; K282-E324 IonicContact NZ-OE1 2.71Å; K282-E324 PolarHBondContact NZ-OE1 2.64Å
283E98.9Very high98.6Very high48 Ų4837.1 Ų37.122%0.22419%0.186CC..Hα-helixtrans-71.6-37.1-178.3-175.156.4-162.100112.2M260 D279 M280 R286 K287M260-E283 HydrophobicContact CE-CB 4.05Å; M260-E283 HydrophobicContact CE-CG 3.42Å; M260-E283 VanDerWaalsContact CE-CG 3.42Å; M260-E283 HydrophobicContact CG-CB 4.4Å; M260-E283 HydrophobicContact CG-CG 4.37Å; M260-E283 HydrophobicContact SD-CG 4.02Å; D279-E283 VanDerWaalsContact O-CB 3.31Å; D279-E283 WeakPolarHBondContact O-CB 3.42Å; D279-E283 PolarHBondContact O-N 2.71Å; M280-E283 PolarHBondContact O-N 2.99Å; E283-R286 PolarHBondContact O-N 3.01Å; E283-R286 IonicContact OE1-CZ 2.73Å; E283-R286 IonicContact OE1-NE 3.02Å; E283-R286 PolarHBondContact OE1-NE 2.88Å; E283-R286 IonicContact OE1-NH2 3.88Å; E283-R286 PolarHBondContact OE1-NH2 2.72Å; E283-R286 IonicContact OE2-CZ 2.77Å; E283-R286 IonicContact OE2-NE 3.01Å; E283-R286 PolarHBondContact OE2-NE 3.45Å; E283-R286 IonicContact OE2-NH2 3.01Å; E283-K287 WeakPolarHBondContact O-CB 3.17Å; E283-K287 WeakPolarHBondContact O-CG 3.08Å; E283-K287 PolarHBondContact O-N 2.85Å; E283-K287 WeakPolarHBondContact OE1-CE 3.31Å
284A98.9Very high98.6Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-63.2-45.3174.900000111.3E258 M260 M280 S281 C288 V398 V400E258-A284 HydrophobicContact CB-CB 4.43Å; M260-A284 HydrophobicContact CB-CB 4.16Å; M260-A284 HydrophobicContact CG-CB 3.64Å; M280-A284 VanDerWaalsContact O-CB 3.31Å; M280-A284 WeakPolarHBondContact O-CB 3.34Å; M280-A284 PolarHBondContact O-N 3.11Å; S281-A284 PolarHBondContact O-N 3.3Å; A284-C288 WeakPolarHBondContact O-CB 3.43Å; A284-C288 PolarHBondContact O-N 3.18Å; A284-V398 HydrophobicContact CB-CG1 3.79Å; A284-V400 HydrophobicContact CB-CB 4.06Å; A284-V400 HydrophobicContact CB-CG2 3.63Å
285A98.9Very high98.6Very high1 Ų140.1 Ų40.11%0.00821%0.206CC..Hα-helixtrans-63.8-46.8176.200000111.7S281 K282 K287 C288 Y289 L319S281-A285 WeakPolarHBondContact O-CB 3.46Å; S281-A285 PolarHBondContact O-N 3.43Å; K282-A285 PolarHBondContact O-N 3.01Å; A285-K287 VanDerWaalsContact C-N 3.34Å; A285-K287 PolarHBondContact O-N 3Å; A285-C288 WeakPolarHBondContact O-CB 3.45Å; A285-C288 PolarHBondContact O-N 3.17Å; A285-C288 VanDerWaalsContact O-N 3.11Å; A285-Y289 HydrophobicContact CB-CD2 4.41Å; A285-Y289 HydrophobicContact CB-CE2 3.85Å; A285-Y289 WeakPolarHBondContact O-CD2 3.47Å; A285-Y289 VanDerWaalsContact O-CG 3.29Å; A285-Y289 PolarHBondContact O-N 3.37Å; A285-L319 HydrophobicContact CB-CD2 3.68Å
286R98.8Very high98.6Very high111 Ų11141.2 Ų41.242%0.41921%0.213SC..Hα-helixtrans-54.5-48.4177.2-168.8-164.368.567.91.4111.8K282 E283 Y289 E290K282-R286 VanDerWaalsContact O-CB 3.3Å; K282-R286 WeakPolarHBondContact O-CB 3.35Å; K282-R286 PolarHBondContact O-N 3.49Å; E283-R286 PolarHBondContact O-N 3.01Å; E283-R286 IonicContact OE1-CZ 2.73Å; E283-R286 IonicContact OE1-NE 3.02Å; E283-R286 PolarHBondContact OE1-NE 2.88Å; E283-R286 IonicContact OE1-NH2 3.88Å; E283-R286 PolarHBondContact OE1-NH2 2.72Å; E283-R286 IonicContact OE2-CZ 2.77Å; E283-R286 IonicContact OE2-NE 3.01Å; E283-R286 PolarHBondContact OE2-NE 3.45Å; E283-R286 IonicContact OE2-NH2 3.01Å; R286-Y289 PolarHBondContact O-N 3.24Å; R286-E290 IonicContact CZ-OE2 3.25Å; R286-E290 IonicContact NH1-OE2 2.93Å; R286-E290 PolarHBondContact NH1-OE2 2.9Å; R286-E290 IonicContact NH2-OE2 2.87Å; R286-E290 WeakPolarHBondContact O-CB 3.43Å; R286-E290 PolarHBondContact O-N 2.94Å
287K98.8Very high98.6Very high62 Ų6246 Ų4627%0.2724%0.238SC..Hα-helixtrans-66.2-36.4177.8-73.4-179.1177.8-1780112.6E258 M260 E283 A285 K291E258-K287 HydrophobicContact CB-CB 4.4Å; E258-K287 HydrophobicContact CG-CB 3.66Å; M260-K287 HydrophobicContact SD-CD 3.99Å; M260-K287 PolarHBondContact SD-NZ 3.24Å; E283-K287 WeakPolarHBondContact O-CB 3.17Å; E283-K287 WeakPolarHBondContact O-CG 3.08Å; E283-K287 PolarHBondContact O-N 2.85Å; E283-K287 WeakPolarHBondContact OE1-CE 3.31Å; A285-K287 VanDerWaalsContact C-N 3.34Å; A285-K287 PolarHBondContact O-N 3Å; K287-K291 WeakPolarHBondContact O-CB 3.33Å; K287-K291 WeakPolarHBondContact O-CG 3.38Å; K287-K291 PolarHBondContact O-N 2.91Å
288C98.8Very high98.6Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-61.6-48.8173-85.40000111.5A256 A284 A285 E290 K291 S292 V400 L402A256-C288 HydrophobicContact CB-CB 4.1Å; A256-C288 WeakPolarHBondContact CB-O 3.43Å; A284-C288 WeakPolarHBondContact O-CB 3.43Å; A284-C288 PolarHBondContact O-N 3.18Å; A285-C288 WeakPolarHBondContact O-CB 3.45Å; A285-C288 PolarHBondContact O-N 3.17Å; A285-C288 VanDerWaalsContact O-N 3.11Å; C288-E290 PolarHBondContact O-N 3.48Å; C288-K291 PolarHBondContact O-N 3.29Å; C288-S292 WeakPolarHBondContact O-CB 3.34Å; C288-S292 PolarHBondContact O-N 3.43Å; C288-S292 PolarHBondContact O-OG 2.99Å; C288-V400 HydrophobicContact CB-CG1 4.29Å; C288-V400 PolarHBondContact SG-O 3.44Å; C288-V400 VanDerWaalsContact SG-O 3.32Å; C288-L402 HydrophobicContact CB-CD1 3.92Å; C288-L402 HydrophobicContact CB-CG 4.12Å
289Y98.8Very high98.6Very high27 Ų2748.9 Ų48.911%0.10625%0.254CS..Hα-helixtrans-59.8-43.7176.9-65.4-39.9000112.4A285 R286 S292 G293 L294 P296 I299 L319 L388 L402A285-Y289 HydrophobicContact CB-CD2 4.41Å; A285-Y289 HydrophobicContact CB-CE2 3.85Å; A285-Y289 WeakPolarHBondContact O-CD2 3.47Å; A285-Y289 VanDerWaalsContact O-CG 3.29Å; A285-Y289 PolarHBondContact O-N 3.37Å; R286-Y289 PolarHBondContact O-N 3.24Å; Y289-S292 PolarHBondContact O-OG 3.1Å; Y289-G293 WeakPolarHBondContact O-CA 3.16Å; Y289-G293 PolarHBondContact O-N 2.98Å; Y289-L294 WeakPolarHBondContact CA-O 3.38Å; Y289-L294 WeakPolarHBondContact CB-O 3.38Å; Y289-L294 PolarHBondContact O-N 2.82Å; Y289-P296 HydrophobicContact CD2-CG 4.37Å; Y289-P296 HydrophobicContact CE1-CG 4.49Å; Y289-P296 HydrophobicContact CE2-CG 3.73Å; Y289-I299 HydrophobicContact CE1-CD1 4.32Å; Y289-I299 HydrophobicContact CE1-CG1 4.38Å; Y289-L319 WeakPolarHBondContact CE2-O 3.28Å; Y289-L319 PolarHBondContact OH-O 3.02Å; Y289-L319 VanDerWaalsContact OH-O 3.08Å; Y289-L388 HydrophobicContact CE1-CD1 4.16Å; Y289-L388 WeakPolarHBondContact OH-CD1 3.36Å; Y289-L402 HydrophobicContact CD1-CD1 4.15Å; Y289-L402 HydrophobicContact CE1-CD1 4.43Å; Y289-L402 HydrophobicContact CE1-CD2 4.45Å
290E98.5Very high98.6Very high133 Ų13350.4 Ų50.462%0.62126%0.262SS*.Hα-helixtrans-60.2-46.8175.7-175.2178.7176.600111.9R286 C288R286-E290 IonicContact CZ-OE2 3.25Å; R286-E290 IonicContact NH1-OE2 2.93Å; R286-E290 PolarHBondContact NH1-OE2 2.9Å; R286-E290 IonicContact NH2-OE2 2.87Å; R286-E290 WeakPolarHBondContact O-CB 3.43Å; R286-E290 PolarHBondContact O-N 2.94Å; C288-E290 PolarHBondContact O-N 3.48Å
291K97.5Very high98.6Very high132 Ų13250.2 Ų50.257%0.57426%0.261SS*.Hα-helixtrans-71-34.3-178.7-74179.4-177.1-1760113.6A256 E258 K287 C288A256-K291 HydrophobicContact CB-CB 4.07Å; E258-K291 WeakPolarHBondContact OE1-CD 3.44Å; E258-K291 VanDerWaalsContact OE1-CE 3.24Å; E258-K291 WeakPolarHBondContact OE1-CE 3.26Å; E258-K291 IonicContact OE1-NZ 2.79Å; E258-K291 PolarHBondContact OE1-NZ 2.95Å; E258-K291 IonicContact OE2-NZ 3.88Å; E258-K291 PolarHBondContact OE2-NZ 3.32Å; K287-K291 WeakPolarHBondContact O-CB 3.33Å; K287-K291 WeakPolarHBondContact O-CG 3.38Å; K287-K291 PolarHBondContact O-N 2.91Å; C288-K291 PolarHBondContact O-N 3.29Å
292S97.6Very high98.6Very high32 Ų3250.1 Ų50.122%0.22426%0.261CS..Hα-helixtrans-88.5-14.8-18067.90000113.5C288 Y289 L294 L402C288-S292 WeakPolarHBondContact O-CB 3.34Å; C288-S292 PolarHBondContact O-N 3.43Å; C288-S292 PolarHBondContact O-OG 2.99Å; Y289-S292 PolarHBondContact O-OG 3.1Å; S292-L294 PolarHBondContact O-N 3.19Å; S292-L294 VanDerWaalsContact OG-CB 3.3Å; S292-L294 WeakPolarHBondContact OG-CB 3.5Å; S292-L294 WeakPolarHBondContact OG-CG 3.37Å; S292-L294 PolarHBondContact OG-N 3.27Å; S292-L402 VanDerWaalsContact OG-CD1 3.26Å; S292-L402 WeakPolarHBondContact OG-CD1 3.3Å
293G98Very high98.6Very high67 Ų6746 Ų4669%0.69124%0.243SC*.THydrogen-bonded Turntrans6524-169.600000113.3Y289Y289-G293 WeakPolarHBondContact O-CA 3.16Å; Y289-G293 PolarHBondContact O-N 2.98Å
294L98.6Very high98.6Very high36 Ų3643.7 Ų43.719%0.18823%0.232CC..  trans-106.9162.8-179.3-62.2173.2000110L255 Y289 S292 D298 V386 L402L255-L294 HydrophobicContact CD1-CD1 3.82Å; Y289-L294 WeakPolarHBondContact CA-O 3.38Å; Y289-L294 WeakPolarHBondContact CB-O 3.38Å; Y289-L294 PolarHBondContact O-N 2.82Å; S292-L294 PolarHBondContact O-N 3.19Å; S292-L294 VanDerWaalsContact OG-CB 3.3Å; S292-L294 WeakPolarHBondContact OG-CB 3.5Å; S292-L294 WeakPolarHBondContact OG-CG 3.37Å; S292-L294 PolarHBondContact OG-N 3.27Å; L294-D298 HydrophobicContact CB-CB 4.45Å; L294-D298 HydrophobicContact CD2-CB 4.14Å; L294-V386 HydrophobicContact CD1-CG1 3.86Å; L294-L402 HydrophobicContact CD1-CD1 4.35Å
295T98.6Very high98.6Very high65 Ų6543.9 Ų43.940%0.39923%0.233SC..  trans-121166.1176.372.50000110.7N297 D298T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 VanDerWaalsContact O-N 3.07Å; T295-N297 PolarHBondContact OG1-N 3.29Å; T295-D298 WeakPolarHBondContact CA-OD2 3.3Å; T295-D298 WeakPolarHBondContact CB-OD2 3.12Å; T295-D298 PolarHBondContact N-OD2 3.38Å; T295-D298 PolarHBondContact O-N 3.46Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å
296P98.4Very high98.5Very high24 Ų2443.9 Ų43.916%0.15623%0.233CC..G310 helixtrans-51.8-29.7171.7-29.936.7000114.3Y289 D298 I299 G320 L321 W342Y289-P296 HydrophobicContact CD2-CG 4.37Å; Y289-P296 HydrophobicContact CE1-CG 4.49Å; Y289-P296 HydrophobicContact CE2-CG 3.73Å; P296-D298 VanDerWaalsContact C-N 3.3Å; P296-D298 PolarHBondContact O-N 2.96Å; P296-I299 PolarHBondContact O-N 3.27Å; P296-G320 WeakPolarHBondContact CB-O 3.33Å; P296-G320 WeakPolarHBondContact CG-O 3.2Å; P296-L321 HydrophobicContact CB-CD2 4.13Å; P296-W342 PolarHBondContact O-NE1 3.27Å
297N98.1Very high98.4Very high100 Ų10038.9 Ų38.954%0.53522%0.215SC..G310 helixtrans-75.1-17-178.3-74.6-42.6000114.4T295 K341T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 VanDerWaalsContact O-N 3.07Å; T295-N297 PolarHBondContact OG1-N 3.29Å; N297-K341 PolarHBondContact O-NZ 3.41Å; N297-K341 VanDerWaalsContact O-NZ 3.17Å
298D98.5Very high98.4Very high71 Ų7136.6 Ų36.638%0.3821%0.205SC..G310 helixtrans-86.6-9.8178.4-57.6-61000112.4L294 T295 P296 V386L294-D298 HydrophobicContact CB-CB 4.45Å; L294-D298 HydrophobicContact CD2-CB 4.14Å; T295-D298 WeakPolarHBondContact CA-OD2 3.3Å; T295-D298 WeakPolarHBondContact CB-OD2 3.12Å; T295-D298 PolarHBondContact N-OD2 3.38Å; T295-D298 PolarHBondContact O-N 3.46Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å; P296-D298 VanDerWaalsContact C-N 3.3Å; P296-D298 PolarHBondContact O-N 2.96Å; D298-V386 WeakPolarHBondContact O-CB 3.45Å
299I98.8Very high98.4Very high1 Ų136.6 Ų36.61%0.00521%0.205CC..  trans-82.5132.6-179-48.9-54.3000109.8Y289 P296 I302 W342 V386 L388 L402Y289-I299 HydrophobicContact CE1-CD1 4.32Å; Y289-I299 HydrophobicContact CE1-CG1 4.38Å; P296-I299 PolarHBondContact O-N 3.27Å; I299-I302 HydrophobicContact CG2-CD1 4.1Å; I299-I302 HydrophobicContact CG2-CG1 3.66Å; I299-W342 PolarHBondContact O-NE1 3.2Å; I299-V386 HydrophobicContact CD1-CB 4.49Å; I299-V386 HydrophobicContact CD1-CG1 3.54Å; I299-L388 HydrophobicContact CD1-CB 4.41Å; I299-L388 HydrophobicContact CD1-CD1 4.5Å; I299-L388 HydrophobicContact CG1-CB 4.47Å; I299-L388 HydrophobicContact CG1-CD1 4.29Å; I299-L388 HydrophobicContact CG2-CB 3.69Å; I299-L402 HydrophobicContact CD1-CD2 3.75Å
300D98.7Very high98.4Very high56 Ų5635.3 Ų35.330%0.29920%0.2SC..  trans-101.7-40.1-179.9-55.3-62.5000112.2V343 A384 K385 V386D300-V343 PolarHBondContact O-N 2.7Å; D300-A384 HydrophobicContact CB-CB 3.98Å; D300-K385 WeakPolarHBondContact OD2-CA 3.23Å; D300-K385 PolarHBondContact OD2-N 3.46Å; D300-V386 PolarHBondContact N-O 2.5Å; D300-V386 PolarHBondContact OD2-N 3.46Å
301V98.9Very high98.4Very high0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-136.4138-173.662.20000111.3P346 L368 Q371 V381 A384 V386 A387 L388V301-P346 HydrophobicContact CG2-CG 3.76Å; V301-L368 HydrophobicContact CG1-CD2 4.21Å; V301-L368 HydrophobicContact CG2-CD2 4.1Å; V301-Q371 HydrophobicContact CG1-CB 4.2Å; V301-Q371 HydrophobicContact CG2-CB 4.48Å; V301-Q371 HydrophobicContact CG2-CG 4.12Å; V301-V381 HydrophobicContact CB-CG2 4.15Å; V301-V381 HydrophobicContact CG2-CG2 3.83Å; V301-A384 HydrophobicContact CG1-CB 4.09Å; V301-V386 PolarHBondContact N-O 3.05Å; V301-A387 HydrophobicContact CG1-CB 3.59Å; V301-A387 VanDerWaalsContact O-CA 3.28Å; V301-A387 WeakPolarHBondContact O-CA 3.34Å; V301-L388 PolarHBondContact O-N 2.9Å
302I99Very high98.5Very high0 Ų022.9 Ų22.90%014%0.144CC..EExtended strand (participates in β ladder)trans-129.5134.7-173.8-56.2-179.9000110.2I299 L304 L321 W342 V343 I344 N345 P346 L388I299-I302 HydrophobicContact CG2-CD1 4.1Å; I299-I302 HydrophobicContact CG2-CG1 3.66Å; I302-L304 HydrophobicContact CG2-CB 4Å; I302-L304 HydrophobicContact CG2-CD2 4.08Å; I302-L304 HydrophobicContact CG2-CG 4.16Å; I302-L321 HydrophobicContact CD1-CD1 3.63Å; I302-L321 HydrophobicContact CD1-CD2 3.88Å; I302-L321 HydrophobicContact CD1-CG 4.41Å; I302-W342 HydrophobicContact CD1-CB 4.24Å; I302-W342 HydrophobicContact CD1-CG 4.16Å; I302-V343 PolarHBondContact N-O 3.2Å; I302-I344 HydrophobicContact CB-CB 4.5Å; I302-I344 HydrophobicContact CB-CG1 4.19Å; I302-I344 HydrophobicContact CB-CG2 4.29Å; I302-I344 HydrophobicContact CD1-CD1 4.33Å; I302-I344 HydrophobicContact CD1-CG1 4.22Å; I302-I344 HydrophobicContact CG2-CG2 4.29Å; I302-N345 PolarHBondContact O-N 2.94Å; I302-P346 WeakPolarHBondContact O-CD 3.46Å; I302-L388 VanDerWaalsContact CA-O 3.3Å; I302-L388 WeakPolarHBondContact CA-O 3.37Å; I302-L388 HydrophobicContact CG1-CB 4.3Å; I302-L388 HydrophobicContact CG2-CD2 4.04Å
303E98.9Very high98.6Very high0 Ų021.4 Ų21.40%013%0.133CC..EExtended strand (participates in β ladder)trans-117.3108.7162-83.8-76.114600108.1N345 P346 S347 K353 Q364 E367 L368 L388 Q389 H390E303-N345 WeakPolarHBondContact CA-OD1 3.41Å; E303-N345 WeakPolarHBondContact OE1-CA 3.08Å; E303-P346 WeakPolarHBondContact OE1-CD 3.37Å; E303-S347 WeakPolarHBondContact OE1-CB 3.22Å; E303-S347 PolarHBondContact OE1-N 3.17Å; E303-S347 PolarHBondContact OE1-OG 3.4Å; E303-S347 PolarHBondContact OE2-OG 2.86Å; E303-K353 IonicContact OE1-NZ 2.73Å; E303-K353 IonicContact OE2-NZ 3.67Å; E303-K353 PolarHBondContact OE2-NZ 2.86Å; E303-Q364 HydrophobicContact CB-CB 3.88Å; E303-Q364 HydrophobicContact CB-CG 3.99Å; E303-E367 HydrophobicContact CG-CB 4.19Å; E303-E367 HydrophobicContact CG-CG 4.1Å; E303-L368 HydrophobicContact CB-CD1 4.18Å; E303-L368 HydrophobicContact CB-CD2 3.9Å; E303-L368 HydrophobicContact CB-CG 4.03Å; E303-L368 HydrophobicContact CG-CD2 3.67Å; E303-L368 HydrophobicContact CG-CG 4.01Å; E303-L388 PolarHBondContact N-O 3.25Å; E303-Q389 CarbonylContact O-C 3.51Å; E303-Q389 VanDerWaalsContact O-CA 3.3Å; E303-Q389 WeakPolarHBondContact O-CA 3.1Å; E303-H390 PolarHBondContact O-N 3.15Å
304L98.8Very high98.6Very high0 Ų018.4 Ų18.40%010%0.102CC..  trans-116.3178.3-176.559.268.7000112.3I302 D306 E312 T315 Y316 L319 I344 N345 Q364 H390I302-L304 HydrophobicContact CG2-CB 4Å; I302-L304 HydrophobicContact CG2-CD2 4.08Å; I302-L304 HydrophobicContact CG2-CG 4.16Å; L304-D306 HydrophobicContact CD1-CB 4.03Å; L304-D306 PolarHBondContact O-N 3.28Å; L304-E312 HydrophobicContact CD1-CB 3.79Å; L304-E312 HydrophobicContact CD1-CG 3.66Å; L304-E312 HydrophobicContact CD2-CG 4.36Å; L304-T315 HydrophobicContact CB-CG2 4.18Å; L304-T315 HydrophobicContact CD2-CG2 3.97Å; L304-Y316 HydrophobicContact CD2-CD1 4.08Å; L304-Y316 HydrophobicContact CD2-CE1 3.97Å; L304-L319 HydrophobicContact CD2-CD1 4.47Å; L304-I344 HydrophobicContact CD1-CG2 4.33Å; L304-I344 HydrophobicContact CD2-CG2 3.52Å; L304-I344 HydrophobicContact CG-CG2 3.66Å; L304-N345 PolarHBondContact N-OD1 3.12Å; L304-Q364 PolarHBondContact O-NE2 3.14Å; L304-H390 CarbonylContact C-O 3.52Å; L304-H390 WeakPolarHBondContact CA-O 3.49Å; L304-H390 HydrophobicContact CB-CB 3.98Å
305H98.8Very high98.6Very high4 Ų416.8 Ų16.82%0.0199%0.093CC..  trans-9670.1-168.4-161.879.4000112C307 N311 L350 H355 H390 N391 L392H305-C307 PolarHBondContact O-N 2.97Å; H305-N311 PolarHBondContact O-ND2 2.91Å; H305-L350 VanDerWaalsContact CE1-CD2 3.48Å; H305-L350 WeakPolarHBondContact CE1-CD2 3.47Å; H305-H355 AromaticContact CE1-CE1 3.6Å; H305-H355 AromaticContact CE1-NE2 3.76Å; H305-H355 AromaticContact NE2-NE2 3.92Å; H305-H390 WeakPolarHBondContact CB-ND1 3.32Å; H305-H390 PolarHBondContact N-ND1 3.43Å; H305-H390 PolarHBondContact N-O 3.1Å; H305-N391 PolarHBondContact CE1-ND2 2.98Å; H305-N391 PolarHBondContact ND1-ND2 2.96Å; H305-L392 HydrophobicContact CB-CB 4.17Å; H305-L392 PolarHBondContact CD2-O 3.46Å; H305-L392 PolarHBondContact CE1-O 3.41Å; H305-L392 PolarHBondContact ND1-O 2.59Å; H305-L392 PolarHBondContact NE2-O 2.94Å; H305-L392 VanDerWaalsContact NE2-O 3.09Å
306D98.4Very high98.6Very high0 Ų013.7 Ų13.70%07%0.074CC..  trans-79.851.5179.664.4-51.7000112.8L304 F308 E312 N345 G349 L350 I351L304-D306 HydrophobicContact CD1-CB 4.03Å; L304-D306 PolarHBondContact O-N 3.28Å; D306-F308 PolarHBondContact O-N 2.83Å; D306-F308 VanDerWaalsContact O-N 3.13Å; D306-E312 HydrophobicContact CB-CB 3.81Å; D306-E312 VanDerWaalsContact CB-OE2 3.28Å; D306-E312 WeakPolarHBondContact CB-OE2 3.47Å; D306-N345 PolarHBondContact OD1-ND2 3.06Å; D306-G349 WeakPolarHBondContact OD1-CA 3.43Å; D306-G349 VanDerWaalsContact OD2-CA 3.28Å; D306-G349 WeakPolarHBondContact OD2-CA 3.22Å; D306-L350 WeakPolarHBondContact OD1-CD1 3.37Å; D306-L350 PolarHBondContact OD1-N 2.95Å; D306-L350 PolarHBondContact OD2-N 3.11Å; D306-I351 HydrophobicContact CB-CD1 4.43Å; D306-I351 HydrophobicContact CB-CG1 4.37Å; D306-I351 VanDerWaalsContact O-CG1 3.27Å; D306-I351 WeakPolarHBondContact O-CG1 3.43Å; D306-I351 WeakPolarHBondContact OD2-CG1 3.48Å; D306-I351 PolarHBondContact OD2-N 3.01Å
307C96.6Very high98.7Very high7 Ų712.9 Ų12.95%0.0477%0.068CC..SBendtrans-56.5-30.9174.9570000112.2C225 H305 L350C225-C307 WeakPolarHBondContact CB-O 3.34Å; C225-C307 PolarHBondContact N-O 3.39Å; C225-C307 PolarHBondContact SG-O 3Å; H305-C307 PolarHBondContact O-N 2.97Å; C307-L350 HydrophobicContact CB-CD2 4.19Å
308F98.7Very high98.7Very high14 Ų148.4 Ų8.46%0.0615%0.045CC..BIsolated β-bridgetrans-138.9153.4166.5-59.8-88.6000108.9A159 P160 F163 L219 Q223 C224 D306 T310 N311 E312A159-F308 HydrophobicContact CB-CE2 4.12Å; A159-F308 HydrophobicContact CB-CZ 4.11Å; P160-F308 HydrophobicContact CB-CE1 4.05Å; P160-F308 HydrophobicContact CB-CZ 4.33Å; P160-F308 HydrophobicContact CG-CE1 3.84Å; P160-F308 HydrophobicContact CG-CZ 3.88Å; F163-F308 HydrophobicContact CB-CB 3.98Å; F163-F308 HydrophobicContact CB-CD2 3.63Å; F163-F308 HydrophobicContact CB-CE2 4.37Å; F163-F308 HydrophobicContact CB-CG 3.89Å; F163-F308 HydrophobicContact CD1-CD2 4.48Å; F163-F308 AromaticContact CD2-CD2 3.22Å; F163-F308 HydrophobicContact CD2-CD2 3.22Å; F163-F308 AromaticContact CD2-CE2 3.41Å; F163-F308 HydrophobicContact CD2-CE2 3.41Å; F163-F308 VanDerWaalsContact CD2-CE2 3.41Å; F163-F308 HydrophobicContact CD2-CG 4.3Å; F163-F308 AromaticContact CE2-CD2 3.98Å; F163-F308 HydrophobicContact CE2-CD2 3.98Å; F163-F308 HydrophobicContact CE2-CE2 4.02Å; F163-F308 HydrophobicContact CG-CB 4.44Å; F163-F308 AromaticContact CG-CD2 3.52Å; F163-F308 HydrophobicContact CG-CD2 3.52Å; F163-F308 HydrophobicContact CG-CE2 4.16Å; F163-F308 HydrophobicContact CG-CG 4.25Å; L219-F308 HydrophobicContact CD1-CD1 3.98Å; L219-F308 HydrophobicContact CD1-CG 4.45Å; Q223-F308 WeakPolarHBondContact O-CA 3.23Å; C224-F308 HydrophobicContact CB-CD1 3.93Å; C224-F308 HydrophobicContact CB-CE1 3.82Å; C224-F308 VanDerWaalsContact SG-CD1 3.59Å; D306-F308 PolarHBondContact O-N 2.83Å; D306-F308 VanDerWaalsContact O-N 3.13Å; F308-T310 PolarHBondContact O-N 3.1Å; F308-T310 VanDerWaalsContact O-N 3.11Å; F308-N311 PolarHBondContact O-N 2.95Å; F308-E312 PolarHBondContact O-N 3.45Å
309S98.8Very high98.7Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-52.2-35.1176.457.30000112.9F181 I184 Q223 E312 L313F181-S309 WeakPolarHBondContact O-CB 3.46Å; I184-S309 WeakPolarHBondContact CD1-O 3.43Å; Q223-S309 PolarHBondContact O-N 3.49Å; Q223-S309 PolarHBondContact OE1-OG 2.68Å; S309-E312 PolarHBondContact O-N 3.32Å; S309-L313 PolarHBondContact O-N 2.69Å
310T98.8Very high98.7Very high0 Ų06.9 Ų6.90%05%0.047CC..Hα-helixtrans-59-45.8173.6-57.80000113.3F163 A166 G167 F181 F218 F308 E312 L313 L314F163-T310 VanDerWaalsContact O-CG2 3.28Å; F163-T310 WeakPolarHBondContact O-CG2 3.15Å; A166-T310 HydrophobicContact CB-CG2 4.42Å; G167-T310 VanDerWaalsContact N-CG2 3.35Å; F181-T310 HydrophobicContact CE1-CG2 3.99Å; F218-T310 WeakPolarHBondContact CZ-OG1 3.42Å; F308-T310 PolarHBondContact O-N 3.1Å; F308-T310 VanDerWaalsContact O-N 3.11Å; T310-E312 VanDerWaalsContact C-N 3.25Å; T310-E312 PolarHBondContact O-N 2.75Å; T310-L313 PolarHBondContact O-N 2.84Å; T310-L313 VanDerWaalsContact O-N 3.15Å; T310-L314 HydrophobicContact CG2-CD1 3.97Å; T310-L314 HydrophobicContact CG2-CG 4.2Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 2.8Å
311N98.8Very high98.7Very high4 Ų44.9 Ų4.92%0.0214%0.036CC..Hα-helixtrans-66-34.9-175.7-160.848.2000111.2F163 H305 F308 T315F163-N311 HydrophobicContact CD1-CB 3.75Å; F163-N311 HydrophobicContact CE1-CB 3.8Å; F163-N311 WeakPolarHBondContact CE1-OD1 3.25Å; H305-N311 PolarHBondContact O-ND2 2.91Å; F308-N311 PolarHBondContact O-N 2.95Å; N311-T315 WeakPolarHBondContact O-CB 3.46Å; N311-T315 PolarHBondContact O-N 3.19Å; N311-T315 PolarHBondContact O-OG1 3.27Å
312E98.9Very high98.7Very high0 Ų05.7 Ų5.70%04%0.041CC..Hα-helixtrans-62.8-45.5172.6171.1161.4177.600111.9I184 K187 N188 L304 D306 F308 S309 T310 L314 T315 Y316 N345I184-E312 HydrophobicContact CD1-CG 4.35Å; I184-E312 HydrophobicContact CG2-CB 3.92Å; I184-E312 VanDerWaalsContact CG2-CD 3.45Å; I184-E312 HydrophobicContact CG2-CG 3.78Å; I184-E312 WeakPolarHBondContact CG2-OE2 3.3Å; K187-E312 WeakPolarHBondContact CE-OE1 3.42Å; K187-E312 IonicContact NZ-OE1 3.74Å; K187-E312 PolarHBondContact NZ-OE1 3.37Å; K187-E312 IonicContact NZ-OE2 3.4Å; K187-E312 PolarHBondContact NZ-OE2 2.97Å; N188-E312 PolarHBondContact ND2-OE2 3.43Å; L304-E312 HydrophobicContact CD1-CB 3.79Å; L304-E312 HydrophobicContact CD1-CG 3.66Å; L304-E312 HydrophobicContact CD2-CG 4.36Å; D306-E312 HydrophobicContact CB-CB 3.81Å; D306-E312 VanDerWaalsContact CB-OE2 3.28Å; D306-E312 WeakPolarHBondContact CB-OE2 3.47Å; F308-E312 PolarHBondContact O-N 3.45Å; S309-E312 PolarHBondContact O-N 3.32Å; T310-E312 VanDerWaalsContact C-N 3.25Å; T310-E312 PolarHBondContact O-N 2.75Å; E312-L314 PolarHBondContact O-N 3.21Å; E312-T315 PolarHBondContact O-N 2.99Å; E312-T315 VanDerWaalsContact O-N 3.17Å; E312-Y316 HydrophobicContact CG-CD1 4.36Å; E312-Y316 HydrophobicContact CG-CE1 3.38Å; E312-Y316 HydrophobicContact CG-CE2 4.29Å; E312-Y316 WeakPolarHBondContact CG-OH 3.4Å; E312-Y316 VanDerWaalsContact O-CD1 3.26Å; E312-Y316 WeakPolarHBondContact O-CD1 3.45Å; E312-Y316 WeakPolarHBondContact O-CE1 2.94Å; E312-Y316 PolarHBondContact O-N 3.35Å; E312-Y316 VanDerWaalsContact O-N 3.13Å; E312-Y316 PolarHBondContact OE1-OH 3.17Å; E312-N345 PolarHBondContact OE2-ND2 3.35Å
313L98.9Very high98.7Very high0 Ų010.2 Ų10.20%07%0.071CC..Hα-helixtrans-58.2-48.9177.1-170.8144.9000112.1T176 H180 F181 I184 S309 T310 T315 Y316T176-L313 HydrophobicContact CG2-CD1 3.83Å; H180-L313 HydrophobicContact CB-CD1 4.2Å; F181-L313 HydrophobicContact CD1-CB 4.23Å; F181-L313 HydrophobicContact CD1-CD1 3.95Å; F181-L313 HydrophobicContact CE1-CB 4.02Å; F181-L313 HydrophobicContact CE1-CD1 3.73Å; F181-L313 HydrophobicContact CE1-CD2 4.23Å; F181-L313 HydrophobicContact CE1-CG 4.21Å; F181-L313 HydrophobicContact CZ-CD1 4.28Å; I184-L313 HydrophobicContact CD1-CB 3.63Å; I184-L313 HydrophobicContact CD1-CD1 4.2Å; I184-L313 HydrophobicContact CD1-CG 4.34Å; S309-L313 PolarHBondContact O-N 2.69Å; T310-L313 PolarHBondContact O-N 2.84Å; T310-L313 VanDerWaalsContact O-N 3.15Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 3.49Å; L313-Y316 WeakPolarHBondContact O-CB 3.47Å; L313-Y316 PolarHBondContact O-N 2.96Å
314L98.9Very high98.7Very high4 Ų414 Ų142%0.0219%0.088CC..Hα-helixtrans-62.6-37.2178.3-64.2178.7000111.5A166 H170 I273 V276 F278 T310 E312 Y316 E317 A318A166-L314 HydrophobicContact CB-CD1 3.94Å; H170-L314 HydrophobicContact CB-CD2 4.16Å; H170-L314 VanDerWaalsContact CD2-CD2 3.42Å; H170-L314 WeakPolarHBondContact CD2-CD2 3.4Å; I273-L314 HydrophobicContact CD1-CD2 4.24Å; I273-L314 HydrophobicContact CG1-CD1 4.36Å; I273-L314 HydrophobicContact CG1-CD2 4.17Å; I273-L314 HydrophobicContact CG2-CD1 4.28Å; I273-L314 HydrophobicContact CG2-CD2 4.09Å; V276-L314 HydrophobicContact CG2-CD1 4.09Å; F278-L314 HydrophobicContact CD2-CB 4.3Å; F278-L314 WeakPolarHBondContact CE2-O 3.48Å; T310-L314 HydrophobicContact CG2-CD1 3.97Å; T310-L314 HydrophobicContact CG2-CG 4.2Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 2.8Å; E312-L314 PolarHBondContact O-N 3.21Å; L314-Y316 VanDerWaalsContact C-N 3.31Å; L314-Y316 PolarHBondContact O-N 2.91Å; L314-E317 PolarHBondContact O-N 3.3Å; L314-A318 PolarHBondContact O-N 2.77Å
315T98.9Very high98.6Very high2 Ų214.2 Ų14.21%0.0129%0.091CC..Hα-helixtrans-68.4-28.9-178.6-610000111.9L304 N311 E312 L313 E317 A318 L319L304-T315 HydrophobicContact CB-CG2 4.18Å; L304-T315 HydrophobicContact CD2-CG2 3.97Å; N311-T315 WeakPolarHBondContact O-CB 3.46Å; N311-T315 PolarHBondContact O-N 3.19Å; N311-T315 PolarHBondContact O-OG1 3.27Å; E312-T315 PolarHBondContact O-N 2.99Å; E312-T315 VanDerWaalsContact O-N 3.17Å; L313-T315 VanDerWaalsContact C-N 3.27Å; L313-T315 PolarHBondContact O-N 3.49Å; T315-E317 VanDerWaalsContact C-N 3.27Å; T315-E317 PolarHBondContact O-N 3.02Å; T315-A318 PolarHBondContact O-N 2.59Å; T315-L319 HydrophobicContact CG2-CD1 3.63Å; T315-L319 HydrophobicContact CG2-CD2 4.46Å; T315-L319 HydrophobicContact CG2-CG 3.7Å; T315-L319 WeakPolarHBondContact O-CB 3.4Å; T315-L319 VanDerWaalsContact O-CG 3.22Å; T315-L319 WeakPolarHBondContact O-CG 3.48Å; T315-L319 PolarHBondContact O-N 3.36Å
316Y98.9Very high98.6Very high0 Ų018.2 Ų18.20%011%0.109CC..Hα-helixtrans-57.2-44.3173.7-57.5-27.6000112.2I184 L304 E312 L313 L314 G320 L321 L330 V331 N336 I344I184-Y316 HydrophobicContact CD1-CE2 3.98Å; I184-Y316 HydrophobicContact CG1-CE2 4.43Å; L304-Y316 HydrophobicContact CD2-CD1 4.08Å; L304-Y316 HydrophobicContact CD2-CE1 3.97Å; E312-Y316 HydrophobicContact CG-CD1 4.36Å; E312-Y316 HydrophobicContact CG-CE1 3.38Å; E312-Y316 HydrophobicContact CG-CE2 4.29Å; E312-Y316 WeakPolarHBondContact CG-OH 3.4Å; E312-Y316 VanDerWaalsContact O-CD1 3.26Å; E312-Y316 WeakPolarHBondContact O-CD1 3.45Å; E312-Y316 WeakPolarHBondContact O-CE1 2.94Å; E312-Y316 PolarHBondContact O-N 3.35Å; E312-Y316 VanDerWaalsContact O-N 3.13Å; E312-Y316 PolarHBondContact OE1-OH 3.17Å; L313-Y316 WeakPolarHBondContact O-CB 3.47Å; L313-Y316 PolarHBondContact O-N 2.96Å; L314-Y316 VanDerWaalsContact C-N 3.31Å; L314-Y316 PolarHBondContact O-N 2.91Å; Y316-G320 PolarHBondContact O-N 2.83Å; Y316-L321 HydrophobicContact CD1-CD1 4.19Å; Y316-L321 WeakPolarHBondContact O-CB 3.33Å; Y316-L321 PolarHBondContact O-N 2.86Å; Y316-L330 HydrophobicContact CD2-CD2 4.17Å; Y316-L330 HydrophobicContact CE2-CD2 4.21Å; Y316-L330 HydrophobicContact CG-CD1 4.48Å; Y316-V331 HydrophobicContact CD2-CG2 4.44Å; Y316-V331 HydrophobicContact CE2-CG2 3.67Å; Y316-N336 PolarHBondContact OH-ND2 3.08Å; Y316-I344 HydrophobicContact CD1-CD1 3.8Å; Y316-I344 HydrophobicContact CE1-CD1 3.47Å; Y316-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y316-I344 HydrophobicContact CE1-CG2 4.24Å
317E98.9Very high98.6Very high8 Ų818.2 Ų18.24%0.03711%0.109CC..Hα-helixtrans-73.6-42.5-179.6-59.8176-174.100110.6H170 F278 L314 T315 L319 G320 G325 Q326 G327H170-E317 IonicContact CD2-OE2 2.63Å; H170-E317 IonicContact CE1-OE1 2.64Å; H170-E317 PolarHBondContact CE1-OE1 3.5Å; H170-E317 VanDerWaalsContact CE1-OE1 3.31Å; H170-E317 VanDerWaalsContact NE2-CD 3.33Å; H170-E317 IonicContact NE2-OE1 3.33Å; H170-E317 PolarHBondContact NE2-OE1 3.05Å; H170-E317 IonicContact NE2-OE2 3.37Å; H170-E317 PolarHBondContact NE2-OE2 3.34Å; F278-E317 HydrophobicContact CE2-CB 3.9Å; F278-E317 HydrophobicContact CZ-CB 4.09Å; L314-E317 PolarHBondContact O-N 3.3Å; T315-E317 VanDerWaalsContact C-N 3.27Å; T315-E317 PolarHBondContact O-N 3.02Å; E317-L319 PolarHBondContact O-N 2.88Å; E317-G320 PolarHBondContact O-N 3.48Å; E317-G325 VanDerWaalsContact OE1-CA 3.31Å; E317-G325 WeakPolarHBondContact OE1-CA 3.43Å; E317-G325 PolarHBondContact OE1-N 3.19Å; E317-G325 VanDerWaalsContact OE1-N 3.13Å; E317-G325 PolarHBondContact OE2-N 2.95Å; E317-Q326 PolarHBondContact OE1-N 2.78Å; E317-G327 WeakPolarHBondContact OE1-CA 3.39Å; E317-G327 PolarHBondContact OE1-N 2.95Å
318A98.9Very high98.7Very high5 Ų518.3 Ų18.34%0.04111%0.111CC..Hα-helixtrans-62.8-40.3177.900000112.3F278 K282 L314 T315 G320F278-A318 HydrophobicContact CD2-CB 3.95Å; F278-A318 HydrophobicContact CE2-CB 3.87Å; F278-A318 HydrophobicContact CG-CB 4.32Å; F278-A318 HydrophobicContact CZ-CB 4.15Å; K282-A318 VanDerWaalsContact CA-O 3.28Å; K282-A318 WeakPolarHBondContact CA-O 3.48Å; K282-A318 HydrophobicContact CB-CB 4.38Å; L314-A318 PolarHBondContact O-N 2.77Å; T315-A318 PolarHBondContact O-N 2.59Å; A318-G320 PolarHBondContact O-N 3.21Å
319L98.9Very high98.7Very high1 Ų119.9 Ų19.91%0.00512%0.122CC..THydrogen-bonded Turntrans-74.2-5.2175.2-64.4-178.9000113A285 Y289 L304 T315 E317 L321 L388 H390 V400A285-L319 HydrophobicContact CB-CD2 3.68Å; Y289-L319 WeakPolarHBondContact CE2-O 3.28Å; Y289-L319 PolarHBondContact OH-O 3.02Å; Y289-L319 VanDerWaalsContact OH-O 3.08Å; L304-L319 HydrophobicContact CD2-CD1 4.47Å; T315-L319 HydrophobicContact CG2-CD1 3.63Å; T315-L319 HydrophobicContact CG2-CD2 4.46Å; T315-L319 HydrophobicContact CG2-CG 3.7Å; T315-L319 WeakPolarHBondContact O-CB 3.4Å; T315-L319 VanDerWaalsContact O-CG 3.22Å; T315-L319 WeakPolarHBondContact O-CG 3.48Å; T315-L319 PolarHBondContact O-N 3.36Å; E317-L319 PolarHBondContact O-N 2.88Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 HydrophobicContact CB-CD2 4.3Å; L319-L321 HydrophobicContact CB-CG 4.1Å; L319-L321 PolarHBondContact O-N 3.43Å; L319-L388 HydrophobicContact CD1-CD2 3.71Å; L319-L388 HydrophobicContact CD2-CD2 4.18Å; L319-H390 HydrophobicContact CD1-CB 4.46Å; L319-H390 HydrophobicContact CD2-CB 4.49Å; L319-V400 HydrophobicContact CD2-CG2 4.47Å
320G98.8Very high98.7Very high40 Ų4020.2 Ų20.241%0.41212%0.124SC..THydrogen-bonded Turntrans72.921.3-179.800000114.2P296 Y316 E317 A318P296-G320 WeakPolarHBondContact CB-O 3.33Å; P296-G320 WeakPolarHBondContact CG-O 3.2Å; Y316-G320 PolarHBondContact O-N 2.83Å; E317-G320 PolarHBondContact O-N 3.48Å; A318-G320 PolarHBondContact O-N 3.21Å
321L98.8Very high98.7Very high13 Ų1320.7 Ų20.77%0.06813%0.127CC..SBendtrans-68.6-29.7173.2-49.3-174.4000110.9P296 I302 Y316 L319 L330 W342 I344P296-L321 HydrophobicContact CB-CD2 4.13Å; I302-L321 HydrophobicContact CD1-CD1 3.63Å; I302-L321 HydrophobicContact CD1-CD2 3.88Å; I302-L321 HydrophobicContact CD1-CG 4.41Å; Y316-L321 HydrophobicContact CD1-CD1 4.19Å; Y316-L321 WeakPolarHBondContact O-CB 3.33Å; Y316-L321 PolarHBondContact O-N 2.86Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 HydrophobicContact CB-CD2 4.3Å; L319-L321 HydrophobicContact CB-CG 4.1Å; L319-L321 PolarHBondContact O-N 3.43Å; L321-L330 HydrophobicContact CB-CD1 3.84Å; L321-W342 HydrophobicContact CB-CE3 4.32Å; L321-W342 HydrophobicContact CB-CH2 4.02Å; L321-W342 HydrophobicContact CB-CZ2 4.24Å; L321-W342 HydrophobicContact CB-CZ3 4.06Å; L321-W342 HydrophobicContact CD1-CD2 4.47Å; L321-W342 HydrophobicContact CD2-CD2 4.35Å; L321-W342 HydrophobicContact CD2-CZ2 4.21Å; L321-W342 WeakPolarHBondContact O-CH2 3.37Å; L321-I344 HydrophobicContact CD1-CD1 3.72Å
322C98.7Very high98.7Very high18 Ų1824.7 Ų24.712%0.12215%0.148CC..SBendtrans-144.1162.617058.70000110.4Q326 L330C322-Q326 HydrophobicContact CB-CB 4.09Å; C322-Q326 VanDerWaalsContact SG-C 3.59Å; C322-L330 HydrophobicContact CB-CD1 4.09Å
323P98.6Very high98.7Very high95 Ų9533.4 Ų33.462%0.61718%0.181SC*.  trans-60.1157172.4-2334.2000112.7G325 Q326P323-G325 PolarHBondContact O-N 2.93Å; P323-Q326 HydrophobicContact CB-CB 4.5Å; P323-Q326 HydrophobicContact CB-CG 4.08Å; P323-Q326 HydrophobicContact CG-CG 4.38Å; P323-Q326 VanDerWaalsContact O-CB 3.29Å; P323-Q326 WeakPolarHBondContact O-CB 3.5Å; P323-Q326 PolarHBondContact O-N 3.4Å
324E98.4Very high98.6Very high78 Ų7834.3 Ų34.336%0.36419%0.19SC..THydrogen-bonded Turntrans-55.3135.3174.4-61.6-173-167.100111.6F278 K282 Q326F278-E324 HydrophobicContact CZ-CG 4.03Å; K282-E324 IonicContact NZ-OE1 2.71Å; K282-E324 PolarHBondContact NZ-OE1 2.64Å; E324-Q326 VanDerWaalsContact C-N 3.3Å
325G98.3Very high98.6Very high6 Ų636 Ų366%0.06220%0.199CC..THydrogen-bonded Turntrans79.5-3-172.800000115.8Y174 E317 P323Y174-G325 VanDerWaalsContact CD1-CA 3.49Å; Y174-G325 VanDerWaalsContact CG-CA 3.44Å; E317-G325 VanDerWaalsContact OE1-CA 3.31Å; E317-G325 WeakPolarHBondContact OE1-CA 3.43Å; E317-G325 PolarHBondContact OE1-N 3.19Å; E317-G325 VanDerWaalsContact OE1-N 3.13Å; E317-G325 PolarHBondContact OE2-N 2.95Å; P323-G325 PolarHBondContact O-N 2.93Å
326Q98.6Very high98.6Very high87 Ų8736.1 Ų36.141%0.40720%0.2SC..  trans-102.29-178.1-61.9-63.2-46.300114.1E317 C322 P323 E324 A328 T329 L330E317-Q326 PolarHBondContact OE1-N 2.78Å; C322-Q326 HydrophobicContact CB-CB 4.09Å; C322-Q326 VanDerWaalsContact SG-C 3.59Å; P323-Q326 HydrophobicContact CB-CB 4.5Å; P323-Q326 HydrophobicContact CB-CG 4.08Å; P323-Q326 HydrophobicContact CG-CG 4.38Å; P323-Q326 VanDerWaalsContact O-CB 3.29Å; P323-Q326 WeakPolarHBondContact O-CB 3.5Å; P323-Q326 PolarHBondContact O-N 3.4Å; E324-Q326 VanDerWaalsContact C-N 3.3Å; Q326-A328 PolarHBondContact O-N 3.21Å; Q326-T329 WeakPolarHBondContact O-CB 3.3Å; Q326-T329 PolarHBondContact O-N 3.03Å; Q326-T329 VanDerWaalsContact O-N 3.09Å; Q326-T329 PolarHBondContact OE1-OG1 3.36Å; Q326-L330 PolarHBondContact O-N 2.78Å
327G98.5Very high98.6Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-56.5-38.9176.300000112.8E317 T329 L330 V331E317-G327 WeakPolarHBondContact OE1-CA 3.39Å; E317-G327 PolarHBondContact OE1-N 2.95Å; G327-T329 PolarHBondContact O-N 2.96Å; G327-L330 PolarHBondContact O-N 2.86Å; G327-V331 WeakPolarHBondContact O-CG2 3.5Å; G327-V331 PolarHBondContact O-N 2.81Å; G327-V331 VanDerWaalsContact O-N 3.12Å
328A98.4Very high98.6Very high10 Ų1040.2 Ų40.28%0.08322%0.218CC..Hα-helixtrans-57.4-46.5173.800000113.2T176 H180 Q326 L330 V331 D332T176-A328 HydrophobicContact CG2-CB 4.29Å; H180-A328 HydrophobicContact CB-CB 4.47Å; H180-A328 VanDerWaalsContact CE1-CB 3.5Å; H180-A328 WeakPolarHBondContact CE1-CB 3.41Å; H180-A328 WeakPolarHBondContact ND1-CB 3.21Å; Q326-A328 PolarHBondContact O-N 3.21Å; A328-L330 VanDerWaalsContact C-N 3.31Å; A328-L330 PolarHBondContact O-N 3.04Å; A328-V331 WeakPolarHBondContact O-CB 3.38Å; A328-V331 PolarHBondContact O-N 3.4Å; A328-D332 PolarHBondContact O-N 3.26Å
329T98.6Very high98.5Very high47 Ų4744.2 Ų44.229%0.28826%0.26SS..Hα-helixtrans-62.6-39.9179.7-55.40000111.4Q326 G327 D332 R333Q326-T329 WeakPolarHBondContact O-CB 3.3Å; Q326-T329 PolarHBondContact O-N 3.03Å; Q326-T329 VanDerWaalsContact O-N 3.09Å; Q326-T329 PolarHBondContact OE1-OG1 3.36Å; G327-T329 PolarHBondContact O-N 2.96Å; T329-D332 PolarHBondContact O-N 3.4Å; T329-R333 WeakPolarHBondContact O-CG 3.26Å; T329-R333 PolarHBondContact O-N 3.25Å; T329-R333 VanDerWaalsContact O-N 3.14Å
330L98.8Very high98.4Very high7 Ų745.5 Ų45.54%0.03727%0.273CS..Hα-helixtrans-62.2-44.1175.8-172.8159.8000110.8Y316 L321 C322 Q326 G327 A328 R333 G334 D335 N336 W342Y316-L330 HydrophobicContact CD2-CD2 4.17Å; Y316-L330 HydrophobicContact CE2-CD2 4.21Å; Y316-L330 HydrophobicContact CG-CD1 4.48Å; L321-L330 HydrophobicContact CB-CD1 3.84Å; C322-L330 HydrophobicContact CB-CD1 4.09Å; Q326-L330 PolarHBondContact O-N 2.78Å; G327-L330 PolarHBondContact O-N 2.86Å; A328-L330 VanDerWaalsContact C-N 3.31Å; A328-L330 PolarHBondContact O-N 3.04Å; L330-R333 PolarHBondContact O-N 2.65Å; L330-G334 PolarHBondContact O-N 3.36Å; L330-D335 HydrophobicContact CD2-CB 4.03Å; L330-D335 HydrophobicContact CG-CB 3.85Å; L330-D335 PolarHBondContact O-N 2.87Å; L330-N336 HydrophobicContact CD2-CB 3.73Å; L330-W342 HydrophobicContact CD1-CE3 4.21Å; L330-W342 HydrophobicContact CD1-CZ3 3.86Å
331V98.6Very high98.4Very high10 Ų1048.2 Ų48.26%0.06127%0.274CS..Hα-helixtrans-61.9-45.8176.2173.90000111.5K183 I184 Y316 G327 A328 R333 G334K183-V331 HydrophobicContact CB-CG1 3.54Å; K183-V331 HydrophobicContact CD-CG1 3.77Å; K183-V331 HydrophobicContact CG-CG1 4.31Å; I184-V331 HydrophobicContact CD1-CG2 3.99Å; I184-V331 HydrophobicContact CG1-CG2 3.89Å; Y316-V331 HydrophobicContact CD2-CG2 4.44Å; Y316-V331 HydrophobicContact CE2-CG2 3.67Å; G327-V331 WeakPolarHBondContact O-CG2 3.5Å; G327-V331 PolarHBondContact O-N 2.81Å; G327-V331 VanDerWaalsContact O-N 3.12Å; A328-V331 WeakPolarHBondContact O-CB 3.38Å; A328-V331 PolarHBondContact O-N 3.4Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.29Å; V331-G334 PolarHBondContact O-N 3.01Å
332D98.6Very high98.4Very high87 Ų8748.2 Ų48.247%0.46527%0.272SS..Hα-helixtrans-64.3-31.5-178.5-83.7-10.7000113.4H180 K183 A328 T329 G334H180-D332 IonicContact CD2-OD1 2.91Å; H180-D332 PolarHBondContact CD2-OD1 2.68Å; H180-D332 IonicContact CD2-OD2 2.65Å; H180-D332 IonicContact NE2-OD1 3.66Å; H180-D332 IonicContact NE2-OD2 3.84Å; H180-D332 PolarHBondContact NE2-OD2 2.82Å; K183-D332 IonicContact NZ-OD1 3.35Å; K183-D332 PolarHBondContact NZ-OD1 3.03Å; A328-D332 PolarHBondContact O-N 3.26Å; T329-D332 PolarHBondContact O-N 3.4Å; D332-G334 PolarHBondContact O-N 3.45Å
333R98.4Very high98.4Very high183 Ų18347.8 Ų47.869%0.69127%0.27SS*.THydrogen-bonded Turntrans-75.8-12.6174.9-70.4176.1-175.7-177.82.8113.5T329 L330 V331 D335T329-R333 WeakPolarHBondContact O-CG 3.26Å; T329-R333 PolarHBondContact O-N 3.25Å; T329-R333 VanDerWaalsContact O-N 3.14Å; L330-R333 PolarHBondContact O-N 2.65Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.29Å; R333-D335 HydrophobicContact CB-CB 4.43Å; R333-D335 WeakPolarHBondContact CB-OD2 3.26Å; R333-D335 WeakPolarHBondContact CD-OD2 3.4Å; R333-D335 PolarHBondContact O-N 3.36Å
334G98.3Very high98.4Very high20 Ų2043.3 Ų43.321%0.20624%0.24CC..THydrogen-bonded Turntrans6824.7-171.200000112.7L330 V331 D332 N336 T337 G340L330-G334 PolarHBondContact O-N 3.36Å; V331-G334 PolarHBondContact O-N 3.01Å; D332-G334 PolarHBondContact O-N 3.45Å; G334-N336 PolarHBondContact O-N 2.94Å; G334-N336 VanDerWaalsContact O-N 3.1Å; G334-T337 WeakPolarHBondContact O-CG2 3.3Å; G334-T337 PolarHBondContact O-N 2.73Å; G334-G340 WeakPolarHBondContact O-CA 3.33Å
335D98.6Very high98.4Very high39 Ų3939.6 Ų39.621%0.20922%0.223CC..THydrogen-bonded Turntrans-71.7-1-178.4-83.7-31.2000113.2L330 R333 K341 W342L330-D335 HydrophobicContact CD2-CB 4.03Å; L330-D335 HydrophobicContact CG-CB 3.85Å; L330-D335 PolarHBondContact O-N 2.87Å; R333-D335 HydrophobicContact CB-CB 4.43Å; R333-D335 WeakPolarHBondContact CB-OD2 3.26Å; R333-D335 WeakPolarHBondContact CD-OD2 3.4Å; R333-D335 PolarHBondContact O-N 3.36Å; D335-K341 HydrophobicContact CB-CB 4.15Å; D335-K341 PolarHBondContact OD1-N 3.44Å; D335-W342 HydrophobicContact CB-CE3 4.46Å; D335-W342 PolarHBondContact O-N 3.08Å
336N98.7Very high98.4Very high4 Ų439.3 Ų39.32%0.02122%0.22CC..THydrogen-bonded Turntrans-108.712.2-179.463-0.5000114.5Y316 L330 G334 W342 I344Y316-N336 PolarHBondContact OH-ND2 3.08Å; L330-N336 HydrophobicContact CD2-CB 3.73Å; G334-N336 PolarHBondContact O-N 2.94Å; G334-N336 VanDerWaalsContact O-N 3.1Å; N336-W342 CarbonylContact C-O 3.09Å; N336-W342 VanDerWaalsContact CA-O 3.23Å; N336-W342 WeakPolarHBondContact CA-O 3.27Å; N336-I344 HydrophobicContact CB-CB 4.26Å; N336-I344 HydrophobicContact CB-CD1 3.77Å; N336-I344 HydrophobicContact CB-CG1 4.07Å; N336-I344 PolarHBondContact O-N 3.48Å
337T98.7Very high98.5Very high20 Ų2035.2 Ų35.212%0.12320%0.201CC..SBendtrans-137.1178.7-178.8-168.90000112H191 G334 G339 G340 W342H191-T337 PolarHBondContact NE2-OG1 3.19Å; G334-T337 WeakPolarHBondContact O-CG2 3.3Å; G334-T337 PolarHBondContact O-N 2.73Å; T337-G339 PolarHBondContact O-N 3.36Å; T337-G340 WeakPolarHBondContact O-CA 3.37Å; T337-G340 PolarHBondContact O-N 3.33Å; T337-W342 PolarHBondContact N-O 3.45Å
338Y98.3Very high98.5Very high75 Ų7535.2 Ų35.229%0.29420%0.201SC..THydrogen-bonded Turntrans-57.2129.8176.7-61.2-89.1000111H191 G340 V343 P346 R379 V381H191-Y338 AromaticContact CD2-CE2 3.76Å; H191-Y338 AromaticContact NE2-CD2 3.66Å; H191-Y338 AromaticContact NE2-CE2 3.7Å; Y338-G340 VanDerWaalsContact C-N 3.29Å; Y338-V343 HydrophobicContact CD1-CG1 4.13Å; Y338-V343 HydrophobicContact CD1-CG2 4.1Å; Y338-V343 HydrophobicContact CD2-CG1 4.3Å; Y338-V343 HydrophobicContact CE1-CG1 3.9Å; Y338-V343 HydrophobicContact CE2-CG1 4.06Å; Y338-V343 HydrophobicContact CG-CG1 4.33Å; Y338-V343 HydrophobicContact CG-CG2 4.44Å; Y338-P346 VanDerWaalsContact OH-CB 3.31Å; Y338-P346 WeakPolarHBondContact OH-CB 3.49Å; Y338-R379 WeakPolarHBondContact OH-CA 3.48Å; Y338-R379 PolarHBondContact OH-O 2.74Å; Y338-V381 HydrophobicContact CE1-CG2 4.19Å
339G96.7Very high98.5Very high89 Ų8934.7 Ų34.792%0.91820%0.197SC*.THydrogen-bonded Turntrans87.6-11.4-173.800000114.4T337T337-G339 PolarHBondContact O-N 3.36Å
340G97.6Very high98.5Very high28 Ų2832.5 Ų32.529%0.28918%0.183SC..SBendtrans-86.4-174.3170.300000113.2G334 T337 Y338G334-G340 WeakPolarHBondContact O-CA 3.33Å; T337-G340 WeakPolarHBondContact O-CA 3.37Å; T337-G340 PolarHBondContact O-N 3.33Å; Y338-G340 VanDerWaalsContact C-N 3.29Å
341K97.8Very high98.5Very high97 Ų9732.2 Ų32.242%0.42218%0.182SC..SBendtrans-66.1-40.4179.1178.859.4-175.5163.30113.8N297 D335N297-K341 PolarHBondContact O-NZ 3.41Å; N297-K341 VanDerWaalsContact O-NZ 3.17Å; D335-K341 HydrophobicContact CB-CB 4.15Å; D335-K341 PolarHBondContact OD1-N 3.44Å
342W98.8Very high98.4Very high12 Ų1231.8 Ų31.85%0.04518%0.179CC..  trans-128.6137.6176.9-59.4-82.9000110.5P296 I299 I302 L321 L330 D335 N336 T337 I344P296-W342 PolarHBondContact O-NE1 3.27Å; I299-W342 PolarHBondContact O-NE1 3.2Å; I302-W342 HydrophobicContact CD1-CB 4.24Å; I302-W342 HydrophobicContact CD1-CG 4.16Å; L321-W342 HydrophobicContact CB-CE3 4.32Å; L321-W342 HydrophobicContact CB-CH2 4.02Å; L321-W342 HydrophobicContact CB-CZ2 4.24Å; L321-W342 HydrophobicContact CB-CZ3 4.06Å; L321-W342 HydrophobicContact CD1-CD2 4.47Å; L321-W342 HydrophobicContact CD2-CD2 4.35Å; L321-W342 HydrophobicContact CD2-CZ2 4.21Å; L321-W342 WeakPolarHBondContact O-CH2 3.37Å; L330-W342 HydrophobicContact CD1-CE3 4.21Å; L330-W342 HydrophobicContact CD1-CZ3 3.86Å; D335-W342 HydrophobicContact CB-CE3 4.46Å; D335-W342 PolarHBondContact O-N 3.08Å; N336-W342 CarbonylContact C-O 3.09Å; N336-W342 VanDerWaalsContact CA-O 3.23Å; N336-W342 WeakPolarHBondContact CA-O 3.27Å; T337-W342 PolarHBondContact N-O 3.45Å; W342-I344 HydrophobicContact CB-CD1 4.29Å; W342-I344 HydrophobicContact CB-CG1 3.89Å; W342-I344 PolarHBondContact O-N 3.07Å
343V98.9Very high98.4Very high10 Ų1028 Ų286%0.06116%0.158CC..EExtended strand (participates in β ladder)trans-89.6106.4166.4-174.50000108.8D300 I302 Y338 P346 V381D300-V343 PolarHBondContact O-N 2.7Å; I302-V343 PolarHBondContact N-O 3.2Å; Y338-V343 HydrophobicContact CD1-CG1 4.13Å; Y338-V343 HydrophobicContact CD1-CG2 4.1Å; Y338-V343 HydrophobicContact CD2-CG1 4.3Å; Y338-V343 HydrophobicContact CE1-CG1 3.9Å; Y338-V343 HydrophobicContact CE2-CG1 4.06Å; Y338-V343 HydrophobicContact CG-CG1 4.33Å; Y338-V343 HydrophobicContact CG-CG2 4.44Å; V343-P346 HydrophobicContact CG1-CB 3.95Å; V343-V381 HydrophobicContact CB-CG1 4.24Å; V343-V381 HydrophobicContact CB-CG2 3.56Å; V343-V381 HydrophobicContact CG1-CG2 3.69Å; V343-V381 HydrophobicContact CG2-CB 4.42Å; V343-V381 HydrophobicContact CG2-CG1 3.78Å; V343-V381 HydrophobicContact CG2-CG2 3.79Å
344I98.9Very high98.3Very high0 Ų019.3 Ų19.30%013%0.126CC..EExtended strand (participates in β ladder)trans-103.4126-176.5-52.3-174.2000110.4K187 H191 I302 L304 Y316 L321 N336 W342K187-I344 PolarHBondContact NZ-O 3.3Å; H191-I344 PolarHBondContact CE1-O 3.37Å; H191-I344 PolarHBondContact ND1-O 2.65Å; I302-I344 HydrophobicContact CB-CB 4.5Å; I302-I344 HydrophobicContact CB-CG1 4.19Å; I302-I344 HydrophobicContact CB-CG2 4.29Å; I302-I344 HydrophobicContact CD1-CD1 4.33Å; I302-I344 HydrophobicContact CD1-CG1 4.22Å; I302-I344 HydrophobicContact CG2-CG2 4.29Å; L304-I344 HydrophobicContact CD1-CG2 4.33Å; L304-I344 HydrophobicContact CD2-CG2 3.52Å; L304-I344 HydrophobicContact CG-CG2 3.66Å; Y316-I344 HydrophobicContact CD1-CD1 3.8Å; Y316-I344 HydrophobicContact CE1-CD1 3.47Å; Y316-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y316-I344 HydrophobicContact CE1-CG2 4.24Å; L321-I344 HydrophobicContact CD1-CD1 3.72Å; N336-I344 HydrophobicContact CB-CB 4.26Å; N336-I344 HydrophobicContact CB-CD1 3.77Å; N336-I344 HydrophobicContact CB-CG1 4.07Å; N336-I344 PolarHBondContact O-N 3.48Å; W342-I344 HydrophobicContact CB-CD1 4.29Å; W342-I344 HydrophobicContact CB-CG1 3.89Å; W342-I344 PolarHBondContact O-N 3.07Å
345N98.9Very high98.3Very high0 Ų018.8 Ų18.80%012%0.118CC..  trans53.758.8-175.9-66.4-12000112N188 H191 I302 E303 L304 D306 E312 S347 G348N188-N345 VanDerWaalsContact OD1-CB 3.3Å; N188-N345 WeakPolarHBondContact OD1-CB 3.3Å; N188-N345 PolarHBondContact OD1-ND2 3.43Å; H191-N345 PolarHBondContact ND1-O 3.43Å; I302-N345 PolarHBondContact O-N 2.94Å; E303-N345 WeakPolarHBondContact CA-OD1 3.41Å; E303-N345 WeakPolarHBondContact OE1-CA 3.08Å; L304-N345 PolarHBondContact N-OD1 3.12Å; D306-N345 PolarHBondContact OD1-ND2 3.06Å; E312-N345 PolarHBondContact OE2-ND2 3.35Å; N345-S347 PolarHBondContact O-N 3.21Å; N345-G348 PolarHBondContact O-N 3.41Å
346P98.9Very high98.3Very high0 Ų017 Ų170%011%0.108CC..THydrogen-bonded Turntrans-56.5-23.1177.525.4-35.9000112.9V301 I302 E303 Y338 V343 G348 E367 Q371 R379V301-P346 HydrophobicContact CG2-CG 3.76Å; I302-P346 WeakPolarHBondContact O-CD 3.46Å; E303-P346 WeakPolarHBondContact OE1-CD 3.37Å; Y338-P346 VanDerWaalsContact OH-CB 3.31Å; Y338-P346 WeakPolarHBondContact OH-CB 3.49Å; V343-P346 HydrophobicContact CG1-CB 3.95Å; P346-G348 VanDerWaalsContact C-N 3.29Å; P346-G348 PolarHBondContact O-N 3.27Å; P346-E367 HydrophobicContact CG-CG 4.09Å; P346-Q371 HydrophobicContact CG-CG 4.39Å; P346-R379 HydrophobicContact CB-CB 4.49Å; P346-R379 WeakPolarHBondContact O-CD 3.25Å
347S98.8Very high98.3Very high1 Ų117 Ų171%0.00711%0.108CC..THydrogen-bonded Turntrans-78.6-5.6177.271.30000115.3N195 E303 N345 K353N195-S347 WeakPolarHBondContact CB-O 3.32Å; N195-S347 PolarHBondContact ND2-O 2.99Å; E303-S347 WeakPolarHBondContact OE1-CB 3.22Å; E303-S347 PolarHBondContact OE1-N 3.17Å; E303-S347 PolarHBondContact OE1-OG 3.4Å; E303-S347 PolarHBondContact OE2-OG 2.86Å; N345-S347 PolarHBondContact O-N 3.21Å; S347-K353 VanDerWaalsContact O-CG 3.23Å; S347-K353 WeakPolarHBondContact O-CG 3.26Å; S347-K353 VanDerWaalsContact OG-CD 3.25Å; S347-K353 WeakPolarHBondContact OG-CD 3.37Å; S347-K353 WeakPolarHBondContact OG-CE 3.23Å; S347-K353 PolarHBondContact OG-NZ 2.76Å
348G98.6Very high98.3Very high0 Ų016 Ų160%010%0.103CC..  trans91.63.7-173.300000115N188 N345 P346 S352N188-G348 WeakPolarHBondContact CB-O 3.4Å; N188-G348 WeakPolarHBondContact O-CA 3.44Å; N345-G348 PolarHBondContact O-N 3.41Å; P346-G348 VanDerWaalsContact C-N 3.29Å; P346-G348 PolarHBondContact O-N 3.27Å; G348-S352 WeakPolarHBondContact O-CB 3.39Å; G348-S352 PolarHBondContact O-N 3.36Å; G348-S352 PolarHBondContact O-OG 2.83Å
349G98.5Very high98.3Very high0 Ų012.4 Ų12.40%09%0.089CC..Hα-helixtrans63.5-179172.600000113.8D306 I351 S352 K353D306-G349 WeakPolarHBondContact OD1-CA 3.43Å; D306-G349 VanDerWaalsContact OD2-CA 3.28Å; D306-G349 WeakPolarHBondContact OD2-CA 3.22Å; G349-I351 PolarHBondContact O-N 2.92Å; G349-S352 PolarHBondContact O-N 3.48Å; G349-K353 VanDerWaalsContact C-CE 3.46Å; G349-K353 WeakPolarHBondContact O-CA 3.3Å; G349-K353 WeakPolarHBondContact O-CB 3.35Å; G349-K353 VanDerWaalsContact O-CE 3.26Å; G349-K353 WeakPolarHBondContact O-CE 2.85Å; G349-K353 VanDerWaalsContact O-CG 3.26Å; G349-K353 WeakPolarHBondContact O-CG 3.21Å; G349-K353 PolarHBondContact O-N 3.17Å
350L98.8Very high98.4Very high1 Ų18.3 Ų8.31%0.0055%0.046CC..Hα-helixtrans-62.5-32.4175.3-77.664.5000111.1C225 H305 D306 C307 S352 G354 H355 T360C225-L350 HydrophobicContact CB-CB 3.92Å; C225-L350 VanDerWaalsContact CB-O 3.23Å; C225-L350 WeakPolarHBondContact CB-O 3.48Å; H305-L350 VanDerWaalsContact CE1-CD2 3.48Å; H305-L350 WeakPolarHBondContact CE1-CD2 3.47Å; D306-L350 WeakPolarHBondContact OD1-CD1 3.37Å; D306-L350 PolarHBondContact OD1-N 2.95Å; D306-L350 PolarHBondContact OD2-N 3.11Å; C307-L350 HydrophobicContact CB-CD2 4.19Å; L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 3.32Å; L350-G354 WeakPolarHBondContact O-CA 3.01Å; L350-G354 PolarHBondContact O-N 2.64Å; L350-G354 VanDerWaalsContact O-N 3.1Å; L350-H355 HydrophobicContact CB-CB 4.42Å; L350-H355 HydrophobicContact CD2-CB 4.3Å; L350-H355 WeakPolarHBondContact CD2-ND1 3.18Å; L350-H355 HydrophobicContact CG-CB 4.3Å; L350-T360 HydrophobicContact CD1-CG2 3.76Å; L350-T360 HydrophobicContact CD2-CG2 4.07Å; L350-T360 HydrophobicContact CG-CG2 4.01Å
351I98.7Very high98.5Very high1 Ų17 Ų71%0.0053%0.032CC..Hα-helixtrans-53.9-44179.1-70.9179.9000111.3I184 N188 H189 L222 P226 D306 G349I184-I351 HydrophobicContact CG2-CD1 4.49Å; N188-I351 HydrophobicContact CB-CB 4.11Å; N188-I351 HydrophobicContact CB-CG2 4.32Å; H189-I351 WeakPolarHBondContact NE2-CG2 3.08Å; L222-I351 WeakPolarHBondContact O-CG2 3.16Å; P226-I351 VanDerWaalsContact CD-O 3.3Å; P226-I351 WeakPolarHBondContact CD-O 3.36Å; D306-I351 HydrophobicContact CB-CD1 4.43Å; D306-I351 HydrophobicContact CB-CG1 4.37Å; D306-I351 VanDerWaalsContact O-CG1 3.27Å; D306-I351 WeakPolarHBondContact O-CG1 3.43Å; D306-I351 WeakPolarHBondContact OD2-CG1 3.48Å; D306-I351 PolarHBondContact OD2-N 3.01Å; G349-I351 PolarHBondContact O-N 2.92Å
352S98.1Very high98.5Very high0 Ų02.4 Ų2.40%01%0.012CC..Hα-helixtrans-106.7-41.1-176.3-50.30000113.3N188 H189 S198 F200 G348 G349 L350 G354N188-S352 PolarHBondContact O-OG 3.25Å; H189-S352 VanDerWaalsContact CA-OG 3.25Å; H189-S352 WeakPolarHBondContact CA-OG 3.09Å; H189-S352 PolarHBondContact CE1-OG 3.02Å; H189-S352 PolarHBondContact N-OG 3.08Å; H189-S352 PolarHBondContact ND1-OG 3.4Å; S198-S352 PolarHBondContact OG-O 3.46Å; S198-S352 VanDerWaalsContact OG-O 3.04Å; F200-S352 PolarHBondContact N-O 3.07Å; F200-S352 VanDerWaalsContact N-O 3.07Å; G348-S352 WeakPolarHBondContact O-CB 3.39Å; G348-S352 PolarHBondContact O-N 3.36Å; G348-S352 PolarHBondContact O-OG 2.83Å; G349-S352 PolarHBondContact O-N 3.48Å; L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 3.32Å; S352-G354 PolarHBondContact O-N 3.4Å
353K97.3Very high98.5Very high7 Ų71.9 Ų1.93%0.031%0.011CC..Hα-helixtrans-61.5-35178-68.6-176.1-75.3-168.90112F24 N195 S198 Q199 E303 S347 G349F24-K353 WeakPolarHBondContact CB-O 3.49Å; F24-K353 HydrophobicContact CD2-CB 4.35Å; N195-K353 WeakPolarHBondContact ND2-CG 3.46Å; S198-K353 VanDerWaalsContact OG-CA 3.23Å; S198-K353 WeakPolarHBondContact OG-CA 3.42Å; S198-K353 PolarHBondContact OG-N 2.83Å; Q199-K353 WeakPolarHBondContact CB-O 3.44Å; Q199-K353 PolarHBondContact N-O 3.42Å; Q199-K353 VanDerWaalsContact N-O 3.12Å; E303-K353 IonicContact OE1-NZ 2.73Å; E303-K353 IonicContact OE2-NZ 3.67Å; E303-K353 PolarHBondContact OE2-NZ 2.86Å; S347-K353 VanDerWaalsContact O-CG 3.23Å; S347-K353 WeakPolarHBondContact O-CG 3.26Å; S347-K353 VanDerWaalsContact OG-CD 3.25Å; S347-K353 WeakPolarHBondContact OG-CD 3.37Å; S347-K353 WeakPolarHBondContact OG-CE 3.23Å; S347-K353 PolarHBondContact OG-NZ 2.76Å; G349-K353 VanDerWaalsContact C-CE 3.46Å; G349-K353 WeakPolarHBondContact O-CA 3.3Å; G349-K353 WeakPolarHBondContact O-CB 3.35Å; G349-K353 VanDerWaalsContact O-CE 3.26Å; G349-K353 WeakPolarHBondContact O-CE 2.85Å; G349-K353 VanDerWaalsContact O-CG 3.26Å; G349-K353 WeakPolarHBondContact O-CG 3.21Å; G349-K353 PolarHBondContact O-N 3.17Å
354G97.5Very high98.5Very high1 Ų11.4 Ų1.41%0.011%0.008CC..  trans93.1168.3-167.300000113.6S228 L350 S352S228-G354 WeakPolarHBondContact OG-CA 3.14Å; L350-G354 WeakPolarHBondContact O-CA 3.01Å; L350-G354 PolarHBondContact O-N 2.64Å; L350-G354 VanDerWaalsContact O-N 3.1Å; S352-G354 PolarHBondContact O-N 3.4Å
355H98.3Very high98.5Very high10 Ų101.4 Ų1.45%0.0461%0.008CC..  trans-133.169.9-164.5-171.227.8000113.4C94 C225 P226 S228 H305 L350 L357 T360C94-H355 WeakPolarHBondContact CB-NE2 3.38Å; C94-H355 PolarHBondContact SG-NE2 2.89Å; C94-H355 VanDerWaalsContact SG-NE2 3.41Å; C225-H355 HydrophobicContact CB-CB 4.07Å; P226-H355 PolarHBondContact O-N 3.34Å; S228-H355 PolarHBondContact OG-N 3.19Å; H305-H355 AromaticContact CE1-CE1 3.6Å; H305-H355 AromaticContact CE1-NE2 3.76Å; H305-H355 AromaticContact NE2-NE2 3.92Å; L350-H355 HydrophobicContact CB-CB 4.42Å; L350-H355 HydrophobicContact CD2-CB 4.3Å; L350-H355 WeakPolarHBondContact CD2-ND1 3.18Å; L350-H355 HydrophobicContact CG-CB 4.3Å; H355-L357 WeakPolarHBondContact NE2-CD2 3.24Å; H355-L357 PolarHBondContact O-N 3.25Å; H355-T360 PolarHBondContact ND1-OG1 3.45Å
356P98.1Very high98.5Very high0 Ų01.4 Ų1.40%01%0.008CC..  trans-69.5109163.626-23.9000109.1F24 E122 S228 G358 A359 T360F24-P356 HydrophobicContact CD1-CG 3.75Å; F24-P356 HydrophobicContact CD2-CG 3.55Å; F24-P356 HydrophobicContact CE1-CG 3.52Å; F24-P356 HydrophobicContact CE2-CG 3.31Å; F24-P356 HydrophobicContact CG-CG 3.76Å; F24-P356 HydrophobicContact CZ-CG 3.28Å; E122-P356 HydrophobicContact CB-CB 3.61Å; S228-P356 WeakPolarHBondContact O-CA 3.37Å; S228-P356 WeakPolarHBondContact O-CB 3.33Å; P356-G358 PolarHBondContact O-N 2.71Å; P356-A359 HydrophobicContact CB-CB 4.12Å; P356-A359 HydrophobicContact CG-CB 3.94Å; P356-A359 PolarHBondContact O-N 3.29Å; P356-T360 PolarHBondContact O-N 3.25Å; P356-T360 PolarHBondContact O-OG1 3.37Å
357L98.2Very high98.5Very high4 Ų41.6 Ų1.62%0.0211%0.008CC..Hα-helixtrans-53.3-51.6-165-48.4178.5000112.9V65 F66 E122 M124 L129 H355 A359V65-L357 HydrophobicContact CB-CB 4.39Å; V65-L357 HydrophobicContact CB-CD1 4.02Å; V65-L357 HydrophobicContact CG1-CD1 4.11Å; V65-L357 HydrophobicContact CG2-CB 3.77Å; V65-L357 HydrophobicContact CG2-CD1 4.02Å; F66-L357 HydrophobicContact CD2-CD1 4.42Å; F66-L357 HydrophobicContact CE2-CD1 3.72Å; F66-L357 HydrophobicContact CZ-CD1 4.29Å; E122-L357 HydrophobicContact CG-CB 4.31Å; E122-L357 HydrophobicContact CG-CG 4.41Å; E122-L357 WeakPolarHBondContact OE2-CB 3.1Å; M124-L357 HydrophobicContact CE-CD1 4.28Å; M124-L357 HydrophobicContact CE-CD2 4.2Å; M124-L357 HydrophobicContact CE-CG 3.97Å; M124-L357 HydrophobicContact SD-CG 4.47Å; L129-L357 HydrophobicContact CD1-CD1 4.15Å; L129-L357 HydrophobicContact CD1-CD2 4.39Å; H355-L357 WeakPolarHBondContact NE2-CD2 3.24Å; H355-L357 PolarHBondContact O-N 3.25Å; L357-A359 VanDerWaalsContact C-N 3.28Å; L357-A359 PolarHBondContact O-N 3.12Å
358G98.5Very high98.6Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-62.3-28.1177.400000115G97 G120 E122 P356G97-G358 WeakPolarHBondContact CA-O 3.31Å; G97-G358 PolarHBondContact N-O 2.99Å; G120-G358 VanDerWaalsContact CA-O 3.29Å; G120-G358 WeakPolarHBondContact CA-O 3.25Å; E122-G358 PolarHBondContact OE2-N 3.42Å; P356-G358 PolarHBondContact O-N 2.71Å
359A98.8Very high98.6Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-98.5-20.1-172.900000114.4F24 G120 A232 P356 L357 G361 L362 A363F24-A359 HydrophobicContact CE1-CB 4.2Å; F24-A359 HydrophobicContact CZ-CB 3.98Å; G120-A359 WeakPolarHBondContact O-CB 3.26Å; A232-A359 HydrophobicContact CB-CB 4.28Å; P356-A359 HydrophobicContact CB-CB 4.12Å; P356-A359 HydrophobicContact CG-CB 3.94Å; P356-A359 PolarHBondContact O-N 3.29Å; L357-A359 VanDerWaalsContact C-N 3.28Å; L357-A359 PolarHBondContact O-N 3.12Å; A359-G361 PolarHBondContact O-N 3.09Å; A359-L362 PolarHBondContact O-N 3.05Å; A359-L362 VanDerWaalsContact O-N 3.12Å; A359-A363 PolarHBondContact O-N 3.45Å
360T98.9Very high98.6Very high3 Ų32.8 Ų2.82%0.0181%0.013CC..Hα-helixtrans-55.5-49.4-173-75.90000113.8L350 H355 P356 L362 A363 Q364L350-T360 HydrophobicContact CD1-CG2 3.76Å; L350-T360 HydrophobicContact CD2-CG2 4.07Å; L350-T360 HydrophobicContact CG-CG2 4.01Å; H355-T360 PolarHBondContact ND1-OG1 3.45Å; P356-T360 PolarHBondContact O-N 3.25Å; P356-T360 PolarHBondContact O-OG1 3.37Å; T360-L362 VanDerWaalsContact C-N 3.26Å; T360-L362 PolarHBondContact O-N 2.99Å; T360-A363 PolarHBondContact O-N 3.15Å; T360-Q364 WeakPolarHBondContact O-CG 3.49Å; T360-Q364 PolarHBondContact O-N 3.1Å
361G98.9Very high98.6Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-61.6-33.8179.800000113.4S98 A359 C365 Q389 N391S98-G361 VanDerWaalsContact OG-CA 3.3Å; S98-G361 WeakPolarHBondContact OG-CA 3.35Å; A359-G361 PolarHBondContact O-N 3.09Å; G361-C365 PolarHBondContact O-N 3.3Å; G361-C365 VanDerWaalsContact O-N 3.16Å; G361-Q389 PolarHBondContact O-NE2 3.3Å; G361-N391 WeakPolarHBondContact CA-OD1 3.27Å; G361-N391 PolarHBondContact N-OD1 3.39Å
362L98.9Very high98.6Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-79.2-31.1177.5-71.9162.2000112L101 A118 A232 A234 A359 T360 C365 A366L101-L362 HydrophobicContact CB-CD2 4.2Å; L101-L362 HydrophobicContact CD1-CD2 4.31Å; A118-L362 HydrophobicContact CB-CD2 3.76Å; A232-L362 HydrophobicContact CB-CB 3.66Å; A232-L362 WeakPolarHBondContact O-CD1 3.3Å; A234-L362 HydrophobicContact CB-CD2 3.85Å; A359-L362 PolarHBondContact O-N 3.05Å; A359-L362 VanDerWaalsContact O-N 3.12Å; T360-L362 VanDerWaalsContact C-N 3.26Å; T360-L362 PolarHBondContact O-N 2.99Å; L362-C365 WeakPolarHBondContact O-CB 3.37Å; L362-C365 PolarHBondContact O-N 3.12Å; L362-A366 WeakPolarHBondContact O-CB 3.48Å; L362-A366 PolarHBondContact O-N 3.26Å
363A98.9Very high98.6Very high2 Ų23.3 Ų3.32%0.0172%0.015CC..Hα-helixtrans-68.1-35.917200000112.6M21 F24 A232 A359 T360 A366 E367M21-A363 HydrophobicContact CE-CB 3.67Å; M21-A363 HydrophobicContact SD-CB 4.11Å; F24-A363 HydrophobicContact CE2-CB 4.01Å; F24-A363 HydrophobicContact CZ-CB 3.59Å; A232-A363 HydrophobicContact CB-CB 4.08Å; A359-A363 PolarHBondContact O-N 3.45Å; T360-A363 PolarHBondContact O-N 3.15Å; A363-A366 PolarHBondContact O-N 2.84Å; A363-E367 PolarHBondContact O-N 2.95Å; A363-E367 VanDerWaalsContact O-N 3.1Å
364Q99Very high98.6Very high0 Ų04.8 Ų4.80%03%0.032CC..Hα-helixtrans-62.5-46.7170.3-68.7174.9-35.700110.7E303 L304 T360 A366 E367 L368 Q389 H390E303-Q364 HydrophobicContact CB-CB 3.88Å; E303-Q364 HydrophobicContact CB-CG 3.99Å; L304-Q364 PolarHBondContact O-NE2 3.14Å; T360-Q364 WeakPolarHBondContact O-CG 3.49Å; T360-Q364 PolarHBondContact O-N 3.1Å; Q364-A366 VanDerWaalsContact C-N 3.33Å; Q364-A366 PolarHBondContact O-N 3.1Å; Q364-E367 PolarHBondContact O-N 3.17Å; Q364-L368 WeakPolarHBondContact O-CG 3.37Å; Q364-L368 PolarHBondContact O-N 3.01Å; Q364-L368 VanDerWaalsContact O-N 3.09Å; Q364-Q389 HydrophobicContact CB-CG 3.91Å; Q364-H390 PolarHBondContact NE2-O 3.07Å
365C98.9Very high98.6Very high0 Ų08.3 Ų8.30%05%0.048CC..Hα-helixtrans-57-45.7174.9173.80000111.7L101 G361 L362 E367 L368 C369L101-C365 HydrophobicContact CD2-CB 4.06Å; G361-C365 PolarHBondContact O-N 3.3Å; G361-C365 VanDerWaalsContact O-N 3.16Å; L362-C365 WeakPolarHBondContact O-CB 3.37Å; L362-C365 PolarHBondContact O-N 3.12Å; C365-E367 PolarHBondContact O-N 3.16Å; C365-L368 PolarHBondContact O-N 2.81Å; C365-C369 WeakPolarHBondContact O-CB 3.23Å; C365-C369 PolarHBondContact O-N 3.32Å; C365-C369 PolarHBondContact O-SG 3.17Å; C365-C369 VanDerWaalsContact O-SG 3.34Å
366A98.9Very high98.6Very high0 Ų07.9 Ų7.90%05%0.046CC..Hα-helixtrans-57.6-48.8177.800000112.6V19 L362 A363 Q364 L368 C369 W370V19-A366 HydrophobicContact CB-CB 3.88Å; V19-A366 HydrophobicContact CG1-CB 4.46Å; V19-A366 HydrophobicContact CG2-CB 4.12Å; L362-A366 WeakPolarHBondContact O-CB 3.48Å; L362-A366 PolarHBondContact O-N 3.26Å; A363-A366 PolarHBondContact O-N 2.84Å; Q364-A366 VanDerWaalsContact C-N 3.33Å; Q364-A366 PolarHBondContact O-N 3.1Å; A366-L368 PolarHBondContact O-N 2.74Å; A366-C369 PolarHBondContact O-N 2.96Å; A366-W370 HydrophobicContact CB-CH2 4.07Å; A366-W370 HydrophobicContact CB-CZ2 4.22Å; A366-W370 HydrophobicContact CB-CZ3 4.27Å; A366-W370 VanDerWaalsContact O-CD2 3.25Å; A366-W370 PolarHBondContact O-N 2.78Å
367E98.9Very high98.5Very high3 Ų310.6 Ų10.61%0.0147%0.074CC..Hα-helixtrans-60.3-48177.7178.269.5-171.900111.6E303 P346 A363 Q364 C365 C369 W370 Q371 R379E303-E367 HydrophobicContact CG-CB 4.19Å; E303-E367 HydrophobicContact CG-CG 4.1Å; P346-E367 HydrophobicContact CG-CG 4.09Å; A363-E367 PolarHBondContact O-N 2.95Å; A363-E367 VanDerWaalsContact O-N 3.1Å; Q364-E367 PolarHBondContact O-N 3.17Å; C365-E367 PolarHBondContact O-N 3.16Å; E367-C369 VanDerWaalsContact C-N 3.31Å; E367-C369 PolarHBondContact O-N 3.43Å; E367-W370 PolarHBondContact O-N 2.95Å; E367-Q371 HydrophobicContact CG-CG 4.26Å; E367-Q371 WeakPolarHBondContact O-CG 3.43Å; E367-Q371 PolarHBondContact O-N 2.86Å; E367-Q371 PolarHBondContact OE1-NE2 2.86Å; E367-R379 IonicContact OE1-NE 3.37Å; E367-R379 PolarHBondContact OE1-NE 3.02Å; E367-R379 IonicContact OE2-CZ 2.68Å; E367-R379 IonicContact OE2-NE 2.79Å; E367-R379 PolarHBondContact OE2-NE 3.24Å; E367-R379 VanDerWaalsContact OE2-NE 3.08Å; E367-R379 IonicContact OE2-NH2 2.82Å; E367-R379 PolarHBondContact OE2-NH2 3.11Å
368L98.9Very high98.5Very high0 Ų018.7 Ų18.70%011%0.109CC..Hα-helixtrans-65.7-35.1-178.9-60.7-179.2000112.3V301 E303 Q364 C365 A366 Q371 L372 A387 L388 Q389 Y403V301-L368 HydrophobicContact CG1-CD2 4.21Å; V301-L368 HydrophobicContact CG2-CD2 4.1Å; E303-L368 HydrophobicContact CB-CD1 4.18Å; E303-L368 HydrophobicContact CB-CD2 3.9Å; E303-L368 HydrophobicContact CB-CG 4.03Å; E303-L368 HydrophobicContact CG-CD2 3.67Å; E303-L368 HydrophobicContact CG-CG 4.01Å; Q364-L368 WeakPolarHBondContact O-CG 3.37Å; Q364-L368 PolarHBondContact O-N 3.01Å; Q364-L368 VanDerWaalsContact O-N 3.09Å; C365-L368 PolarHBondContact O-N 2.81Å; A366-L368 PolarHBondContact O-N 2.74Å; L368-Q371 PolarHBondContact O-N 2.89Å; L368-L372 WeakPolarHBondContact O-CB 3.4Å; L368-L372 VanDerWaalsContact O-CG 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.3Å; L368-L372 PolarHBondContact O-N 3.44Å; L368-A387 HydrophobicContact CB-CB 3.91Å; L368-A387 HydrophobicContact CD1-CB 4.1Å; L368-A387 HydrophobicContact CD2-CB 4.02Å; L368-A387 HydrophobicContact CG-CB 4.2Å; L368-L388 WeakPolarHBondContact CD1-O 3.42Å; L368-Q389 HydrophobicContact CD1-CB 3.66Å; L368-Y403 HydrophobicContact CD1-CD2 3.95Å; L368-Y403 HydrophobicContact CD1-CE2 3.87Å
369C98.9Very high98.5Very high1 Ų119.4 Ų19.41%0.00711%0.112CC..Hα-helixtrans-62.8-45.3172-74.50000111.7V19 V252 C365 A366 E367 Q371 L372 R373V19-C369 HydrophobicContact CG1-CB 3.99Å; V19-C369 HydrophobicContact CG2-CB 4.17Å; V252-C369 HydrophobicContact CG2-CB 4.19Å; C365-C369 WeakPolarHBondContact O-CB 3.23Å; C365-C369 PolarHBondContact O-N 3.32Å; C365-C369 PolarHBondContact O-SG 3.17Å; C365-C369 VanDerWaalsContact O-SG 3.34Å; A366-C369 PolarHBondContact O-N 2.96Å; E367-C369 VanDerWaalsContact C-N 3.31Å; E367-C369 PolarHBondContact O-N 3.43Å; C369-Q371 VanDerWaalsContact C-N 3.34Å; C369-Q371 PolarHBondContact O-N 2.9Å; C369-L372 PolarHBondContact O-N 3.22Å; C369-R373 VanDerWaalsContact O-CB 3.31Å; C369-R373 WeakPolarHBondContact O-CB 3.23Å; C369-R373 WeakPolarHBondContact O-CD 3.3Å; C369-R373 VanDerWaalsContact O-CG 3.27Å; C369-R373 WeakPolarHBondContact O-CG 3.47Å; C369-R373 PolarHBondContact O-N 3.17Å
370W98.9Very high98.5Very high25 Ų2521.7 Ų21.710%0.09512%0.123CC..Hα-helixtrans-62.3-41.3175-64.1-38.2000112V19 M21 Y197 A366 E367 R373 G374 E375 A376V19-W370 HydrophobicContact CG2-CZ2 4.3Å; M21-W370 HydrophobicContact CG-CH2 3.85Å; M21-W370 HydrophobicContact SD-CH2 3.83Å; M21-W370 HydrophobicContact SD-CZ3 4.04Å; Y197-W370 HydrophobicContact CD2-CH2 4.17Å; Y197-W370 HydrophobicContact CD2-CZ3 4.19Å; Y197-W370 AromaticContact CE2-CH2 3.73Å; Y197-W370 HydrophobicContact CE2-CH2 3.73Å; Y197-W370 HydrophobicContact CE2-CZ3 4.04Å; A366-W370 HydrophobicContact CB-CH2 4.07Å; A366-W370 HydrophobicContact CB-CZ2 4.22Å; A366-W370 HydrophobicContact CB-CZ3 4.27Å; A366-W370 VanDerWaalsContact O-CD2 3.25Å; A366-W370 PolarHBondContact O-N 2.78Å; E367-W370 PolarHBondContact O-N 2.95Å; W370-R373 PolarHBondContact O-N 3.11Å; W370-G374 PolarHBondContact O-N 3.05Å; W370-E375 HydrophobicContact CB-CB 4.41Å; W370-E375 PolarHBondContact O-N 2.75Å; W370-A376 HydrophobicContact CB-CB 4.2Å; W370-A376 PolarHBondContact O-N 2.96Å
371Q98.9Very high98.5Very high1 Ų122 Ų221%0.00512%0.124CC..Hα-helixtrans-60.3-48.8177.8-69.7-72.4-5.400111.7V301 P346 E367 L368 C369 R373 G374 A376 R379 Q380V301-Q371 HydrophobicContact CG1-CB 4.2Å; V301-Q371 HydrophobicContact CG2-CB 4.48Å; V301-Q371 HydrophobicContact CG2-CG 4.12Å; P346-Q371 HydrophobicContact CG-CG 4.39Å; E367-Q371 HydrophobicContact CG-CG 4.26Å; E367-Q371 WeakPolarHBondContact O-CG 3.43Å; E367-Q371 PolarHBondContact O-N 2.86Å; E367-Q371 PolarHBondContact OE1-NE2 2.86Å; L368-Q371 PolarHBondContact O-N 2.89Å; C369-Q371 VanDerWaalsContact C-N 3.34Å; C369-Q371 PolarHBondContact O-N 2.9Å; Q371-R373 VanDerWaalsContact C-N 3.33Å; Q371-R373 PolarHBondContact O-N 3.13Å; Q371-G374 PolarHBondContact O-N 3.04Å; Q371-A376 VanDerWaalsContact CD-CB 3.42Å; Q371-A376 HydrophobicContact CG-CB 3.99Å; Q371-R379 PolarHBondContact NE2-O 3.31Å; Q371-R379 PolarHBondContact OE1-O 2.91Å; Q371-Q380 PolarHBondContact O-NE2 3.42Å
372L98.8Very high98.3Very high2 Ų227.4 Ų27.41%0.0116%0.16CC..Hα-helixtrans-69.2-31.1-179.4-68.6176.4000113V252 L368 C369 G374 K385 A387 M405V252-L372 HydrophobicContact CG1-CD1 3.7Å; V252-L372 HydrophobicContact CG2-CB 4.48Å; L368-L372 WeakPolarHBondContact O-CB 3.4Å; L368-L372 VanDerWaalsContact O-CG 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.3Å; L368-L372 PolarHBondContact O-N 3.44Å; C369-L372 PolarHBondContact O-N 3.22Å; L372-G374 VanDerWaalsContact C-N 3.31Å; L372-K385 VanDerWaalsContact CD2-C 3.42Å; L372-K385 WeakPolarHBondContact CD2-O 3.45Å; L372-A387 HydrophobicContact CD1-CB 3.75Å; L372-A387 HydrophobicContact CD2-CB 4.11Å; L372-A387 HydrophobicContact CG-CB 3.95Å; L372-M405 HydrophobicContact CB-CG 4.37Å; L372-M405 HydrophobicContact CB-SD 4.07Å; L372-M405 WeakPolarHBondContact O-CG 3.31Å
373R98.2Very high98.1Very high11 Ų1130.3 Ų30.34%0.04219%0.19CC..Hα-helixtrans-76.2-16.8174.5-73.8167.757.5177.1-11.7113.4D49 V252 C369 W370 Q371 E375 M405D49-R373 IonicContact OD1-CZ 3.32Å; D49-R373 IonicContact OD1-NH1 3.39Å; D49-R373 PolarHBondContact OD1-NH1 2.89Å; D49-R373 IonicContact OD1-NH2 3.45Å; D49-R373 PolarHBondContact OD1-NH2 3.06Å; D49-R373 IonicContact OD2-CZ 3.94Å; D49-R373 IonicContact OD2-NH1 2.65Å; D49-R373 PolarHBondContact OD2-NH1 3.4Å; D49-R373 IonicContact OD2-NH2 2.7Å; V252-R373 HydrophobicContact CG2-CG 4.1Å; C369-R373 VanDerWaalsContact O-CB 3.31Å; C369-R373 WeakPolarHBondContact O-CB 3.23Å; C369-R373 WeakPolarHBondContact O-CD 3.3Å; C369-R373 VanDerWaalsContact O-CG 3.27Å; C369-R373 WeakPolarHBondContact O-CG 3.47Å; C369-R373 PolarHBondContact O-N 3.17Å; W370-R373 PolarHBondContact O-N 3.11Å; Q371-R373 VanDerWaalsContact C-N 3.33Å; Q371-R373 PolarHBondContact O-N 3.13Å; R373-E375 HydrophobicContact CB-CB 4.43Å; R373-E375 HydrophobicContact CB-CG 3.95Å; R373-E375 IonicContact CZ-OE1 2.89Å; R373-E375 VanDerWaalsContact CZ-OE1 3.28Å; R373-E375 IonicContact CZ-OE2 2.78Å; R373-E375 VanDerWaalsContact CZ-OE2 3.3Å; R373-E375 VanDerWaalsContact NE-CD 3.34Å; R373-E375 IonicContact NE-OE1 3.29Å; R373-E375 PolarHBondContact NE-OE1 3Å; R373-E375 IonicContact NE-OE2 3.5Å; R373-E375 PolarHBondContact NE-OE2 3.42Å; R373-E375 IonicContact NH2-OE1 3.47Å; R373-E375 PolarHBondContact NH2-OE1 2.82Å; R373-E375 IonicContact NH2-OE2 3.89Å; R373-E375 PolarHBondContact NH2-OE2 2.9Å; R373-M405 HydrophobicContact CG-CE 4.01Å; R373-M405 HydrophobicContact CG-SD 3.85Å
374G97.4Very high98Very high38 Ų3830.8 Ų30.839%0.39219%0.194SC..THydrogen-bonded Turntrans8224.5-174.300000113.5W370 Q371 L372W370-G374 PolarHBondContact O-N 3.05Å; Q371-G374 PolarHBondContact O-N 3.04Å; L372-G374 VanDerWaalsContact C-N 3.31Å
375E97.3Very high98Very high74 Ų7437.7 Ų37.735%0.34622%0.224SC..  trans-113.28.3-171.4-64.3176.7-156.400112.8W370 R373 G377W370-E375 HydrophobicContact CB-CB 4.41Å; W370-E375 PolarHBondContact O-N 2.75Å; R373-E375 HydrophobicContact CB-CB 4.43Å; R373-E375 HydrophobicContact CB-CG 3.95Å; R373-E375 IonicContact CZ-OE1 2.89Å; R373-E375 VanDerWaalsContact CZ-OE1 3.28Å; R373-E375 IonicContact CZ-OE2 2.78Å; R373-E375 VanDerWaalsContact CZ-OE2 3.3Å; R373-E375 VanDerWaalsContact NE-CD 3.34Å; R373-E375 IonicContact NE-OE1 3.29Å; R373-E375 PolarHBondContact NE-OE1 3Å; R373-E375 IonicContact NE-OE2 3.5Å; R373-E375 PolarHBondContact NE-OE2 3.42Å; R373-E375 IonicContact NH2-OE1 3.47Å; R373-E375 PolarHBondContact NH2-OE1 2.82Å; R373-E375 IonicContact NH2-OE2 3.89Å; R373-E375 PolarHBondContact NH2-OE2 2.9Å; E375-G377 PolarHBondContact O-N 3.47Å
376A97.6Very high98Very high1 Ų138.3 Ų38.31%0.00823%0.227CC..  trans-795.1-176.500000114.2W370 Q371 K378 R379 Q380W370-A376 HydrophobicContact CB-CB 4.2Å; W370-A376 PolarHBondContact O-N 2.96Å; Q371-A376 VanDerWaalsContact CD-CB 3.42Å; Q371-A376 HydrophobicContact CG-CB 3.99Å; A376-K378 PolarHBondContact O-N 3.16Å; A376-R379 HydrophobicContact CB-CB 4.37Å; A376-R379 WeakPolarHBondContact O-CB 3.4Å; A376-R379 PolarHBondContact O-N 3.32Å; A376-R379 VanDerWaalsContact O-N 3.07Å; A376-Q380 HydrophobicContact CB-CB 4.46Å; A376-Q380 VanDerWaalsContact N-OE1 3.08Å
377G96.8Very high98Very high57 Ų5738.3 Ų38.359%0.58823%0.227SC*.G310 helixtrans57.7-127.5175.600000112.4E375 R379 Q380E375-G377 PolarHBondContact O-N 3.47Å; G377-R379 PolarHBondContact O-N 3.39Å; G377-R379 VanDerWaalsContact O-N 3.1Å; G377-Q380 WeakPolarHBondContact O-CB 3.32Å; G377-Q380 PolarHBondContact O-N 2.83Å
378K97.8Very high98Very high174 Ų17438.1 Ų38.176%0.75723%0.227SC*.G310 helixtrans-63.9-13.3179.1-67.6-173.9179-178.70114.3N194 A376N194-K378 HydrophobicContact CB-CB 3.88Å; A376-K378 PolarHBondContact O-N 3.16Å
379R98.6Very high98Very high15 Ų1538.1 Ų38.16%0.05723%0.227CC..G310 helixtrans-93.8-1.5177.3-55-176.5-56.1-71.40.2112.7N194 Y338 P346 E367 Q371 A376 G377 V381N194-R379 HydrophobicContact CB-CG 3.59Å; N194-R379 WeakPolarHBondContact O-CG 3.45Å; N194-R379 PolarHBondContact O-NH1 3.36Å; Y338-R379 WeakPolarHBondContact OH-CA 3.48Å; Y338-R379 PolarHBondContact OH-O 2.74Å; P346-R379 HydrophobicContact CB-CB 4.49Å; P346-R379 WeakPolarHBondContact O-CD 3.25Å; E367-R379 IonicContact OE1-NE 3.37Å; E367-R379 PolarHBondContact OE1-NE 3.02Å; E367-R379 IonicContact OE2-CZ 2.68Å; E367-R379 IonicContact OE2-NE 2.79Å; E367-R379 PolarHBondContact OE2-NE 3.24Å; E367-R379 VanDerWaalsContact OE2-NE 3.08Å; E367-R379 IonicContact OE2-NH2 2.82Å; E367-R379 PolarHBondContact OE2-NH2 3.11Å; Q371-R379 PolarHBondContact NE2-O 3.31Å; Q371-R379 PolarHBondContact OE1-O 2.91Å; A376-R379 HydrophobicContact CB-CB 4.37Å; A376-R379 WeakPolarHBondContact O-CB 3.4Å; A376-R379 PolarHBondContact O-N 3.32Å; A376-R379 VanDerWaalsContact O-N 3.07Å; G377-R379 PolarHBondContact O-N 3.39Å; G377-R379 VanDerWaalsContact O-N 3.1Å; R379-V381 PolarHBondContact O-N 3.15Å
380Q98.8Very high98Very high48 Ų4838.1 Ų38.122%0.22423%0.226CC..  trans-58124.4-171.7-174.661.352.500111.7Q371 A376 G377 P382Q371-Q380 PolarHBondContact O-NE2 3.42Å; A376-Q380 HydrophobicContact CB-CB 4.46Å; A376-Q380 VanDerWaalsContact N-OE1 3.08Å; G377-Q380 WeakPolarHBondContact O-CB 3.32Å; G377-Q380 PolarHBondContact O-N 2.83Å; Q380-P382 WeakPolarHBondContact O-CD 3.3Å
381V98.5Very high98Very high9 Ų936.9 Ų36.96%0.05522%0.222CC..  trans-81.2115.1167.8-177.50000107.6V301 Y338 V343 R379 G383 A384V301-V381 HydrophobicContact CB-CG2 4.15Å; V301-V381 HydrophobicContact CG2-CG2 3.83Å; Y338-V381 HydrophobicContact CE1-CG2 4.19Å; V343-V381 HydrophobicContact CB-CG1 4.24Å; V343-V381 HydrophobicContact CB-CG2 3.56Å; V343-V381 HydrophobicContact CG1-CG2 3.69Å; V343-V381 HydrophobicContact CG2-CB 4.42Å; V343-V381 HydrophobicContact CG2-CG1 3.78Å; V343-V381 HydrophobicContact CG2-CG2 3.79Å; R379-V381 PolarHBondContact O-N 3.15Å; V381-G383 PolarHBondContact O-N 3.43Å; V381-A384 HydrophobicContact CB-CB 4.07Å; V381-A384 HydrophobicContact CG1-CB 4.1Å; V381-A384 PolarHBondContact O-N 2.99Å
382P96.5Very high98Very high114 Ų11437 Ų3774%0.7422%0.222SC*.THydrogen-bonded Turntrans-62.6125.2-175.9-23.935.2000111.6Q380 A384Q380-P382 WeakPolarHBondContact O-CD 3.3Å; P382-A384 VanDerWaalsContact C-N 3.29Å; P382-A384 PolarHBondContact O-N 3.4Å
383G93.5Very high97.9Very high62 Ų6237 Ų3764%0.63922%0.223SC*.THydrogen-bonded Turntrans72.513.5173.500000115.9V381 K385V381-G383 PolarHBondContact O-N 3.43Å; G383-K385 PolarHBondContact O-N 2.95Å
384A97.8Very high97.9Very high11 Ų1137.6 Ų37.69%0.09123%0.227CC..  trans-56.5129.3176.200000111.7D300 V301 V381 P382D300-A384 HydrophobicContact CB-CB 3.98Å; V301-A384 HydrophobicContact CG1-CB 4.09Å; V381-A384 HydrophobicContact CB-CB 4.07Å; V381-A384 HydrophobicContact CG1-CB 4.1Å; V381-A384 PolarHBondContact O-N 2.99Å; P382-A384 VanDerWaalsContact C-N 3.29Å; P382-A384 PolarHBondContact O-N 3.4Å
385K98.2Very high97.8Very high146 Ų14637.3 Ų37.364%0.63522%0.223SC*.  trans-122.3-32.1-178.5-71.4175.5-174.81780112.4D300 L372 G383 K404D300-K385 WeakPolarHBondContact OD2-CA 3.23Å; D300-K385 PolarHBondContact OD2-N 3.46Å; L372-K385 VanDerWaalsContact CD2-C 3.42Å; L372-K385 WeakPolarHBondContact CD2-O 3.45Å; G383-K385 PolarHBondContact O-N 2.95Å; K385-K404 WeakPolarHBondContact O-CG 3.23Å
386V98.8Very high97.7Very high12 Ų1234.1 Ų34.17%0.07321%0.211CC..  trans-125.9128.5179-173.30000109.7L294 D298 I299 D300 V301 Y403L294-V386 HydrophobicContact CD1-CG1 3.86Å; D298-V386 WeakPolarHBondContact O-CB 3.45Å; I299-V386 HydrophobicContact CD1-CB 4.49Å; I299-V386 HydrophobicContact CD1-CG1 3.54Å; D300-V386 PolarHBondContact N-O 2.5Å; D300-V386 PolarHBondContact OD2-N 3.46Å; V301-V386 PolarHBondContact N-O 3.05Å; V386-Y403 WeakPolarHBondContact CA-O 3.39Å
387A98.9Very high97.7Very high0 Ų034.1 Ų34.10%021%0.211CC..EExtended strand (participates in β ladder)trans-118.6143.6179.500000111.4V301 L368 L372 L402 Y403V301-A387 HydrophobicContact CG1-CB 3.59Å; V301-A387 VanDerWaalsContact O-CA 3.28Å; V301-A387 WeakPolarHBondContact O-CA 3.34Å; L368-A387 HydrophobicContact CB-CB 3.91Å; L368-A387 HydrophobicContact CD1-CB 4.1Å; L368-A387 HydrophobicContact CD2-CB 4.02Å; L368-A387 HydrophobicContact CG-CB 4.2Å; L372-A387 HydrophobicContact CD1-CB 3.75Å; L372-A387 HydrophobicContact CD2-CB 4.11Å; L372-A387 HydrophobicContact CG-CB 3.95Å; A387-L402 WeakPolarHBondContact O-CA 3.28Å; A387-Y403 HydrophobicContact CB-CD2 4.5Å; A387-Y403 PolarHBondContact N-O 3.33Å; A387-Y403 PolarHBondContact O-N 3.2Å
388L98.9Very high97.8Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-119.8128.2175.8-175.2157.4000110.5Y289 I299 V301 I302 E303 L319 L368 H390 V400 T401 L402Y289-L388 HydrophobicContact CE1-CD1 4.16Å; Y289-L388 WeakPolarHBondContact OH-CD1 3.36Å; I299-L388 HydrophobicContact CD1-CB 4.41Å; I299-L388 HydrophobicContact CD1-CD1 4.5Å; I299-L388 HydrophobicContact CG1-CB 4.47Å; I299-L388 HydrophobicContact CG1-CD1 4.29Å; I299-L388 HydrophobicContact CG2-CB 3.69Å; V301-L388 PolarHBondContact O-N 2.9Å; I302-L388 VanDerWaalsContact CA-O 3.3Å; I302-L388 WeakPolarHBondContact CA-O 3.37Å; I302-L388 HydrophobicContact CG1-CB 4.3Å; I302-L388 HydrophobicContact CG2-CD2 4.04Å; E303-L388 PolarHBondContact N-O 3.25Å; L319-L388 HydrophobicContact CD1-CD2 3.71Å; L319-L388 HydrophobicContact CD2-CD2 4.18Å; L368-L388 WeakPolarHBondContact CD1-O 3.42Å; L388-H390 HydrophobicContact CD2-CB 4.19Å; L388-V400 HydrophobicContact CD2-CG1 4.4Å; L388-V400 HydrophobicContact CG-CG1 4.3Å; L388-T401 WeakPolarHBondContact CA-O 3.31Å; L388-L402 HydrophobicContact CB-CD2 3.81Å; L388-L402 HydrophobicContact CD1-CD2 3.77Å; L388-L402 HydrophobicContact CG-CD2 3.77Å
389Q99Very high97.9Very high0 Ų023.1 Ų23.10%015%0.147CC..EExtended strand (participates in β ladder)trans-104.5139.3168.2179.6175-8.100110.9S98 E303 G361 Q364 L368 V400 T401 Y403S98-Q389 PolarHBondContact OG-NE2 2.81Å; E303-Q389 CarbonylContact O-C 3.51Å; E303-Q389 VanDerWaalsContact O-CA 3.3Å; E303-Q389 WeakPolarHBondContact O-CA 3.1Å; G361-Q389 PolarHBondContact O-NE2 3.3Å; Q364-Q389 HydrophobicContact CB-CG 3.91Å; L368-Q389 HydrophobicContact CD1-CB 3.66Å; Q389-V400 CarbonylContact O-C 3.52Å; Q389-V400 VanDerWaalsContact O-CA 3.26Å; Q389-V400 WeakPolarHBondContact O-CA 3.39Å; Q389-T401 PolarHBondContact N-O 3.49Å; Q389-T401 PolarHBondContact O-N 3.23Å; Q389-Y403 HydrophobicContact CB-CE2 3.72Å; Q389-Y403 PolarHBondContact OE1-OH 3.17Å
390H98.9Very high97.9Very high0 Ų022.4 Ų22.40%014%0.144CC..EExtended strand (participates in β ladder)trans-132.8119.5169.2168.4-80.9000110.3S281 E303 L304 H305 L319 Q364 L388 V398S281-H390 WeakPolarHBondContact CB-NE2 3.37Å; S281-H390 PolarHBondContact OG-NE2 3.37Å; E303-H390 PolarHBondContact O-N 3.15Å; L304-H390 CarbonylContact C-O 3.52Å; L304-H390 WeakPolarHBondContact CA-O 3.49Å; L304-H390 HydrophobicContact CB-CB 3.98Å; H305-H390 WeakPolarHBondContact CB-ND1 3.32Å; H305-H390 PolarHBondContact N-ND1 3.43Å; H305-H390 PolarHBondContact N-O 3.1Å; L319-H390 HydrophobicContact CD1-CB 4.46Å; L319-H390 HydrophobicContact CD2-CB 4.49Å; Q364-H390 PolarHBondContact NE2-O 3.07Å; L388-H390 HydrophobicContact CD2-CB 4.19Å; H390-V398 WeakPolarHBondContact NE2-CG2 3.23Å
391N98.9Very high97.9Very high0 Ų020.1 Ų20.10%013%0.133CC..EExtended strand (participates in β ladder)trans-128.3119.9176.5-168.5-170.4000110.3C94 S95 S98 H305 G361 V398 V399C94-N391 PolarHBondContact O-ND2 3.36Å; C94-N391 PolarHBondContact O-OD1 2.87Å; S95-N391 WeakPolarHBondContact CA-OD1 3.35Å; S98-N391 WeakPolarHBondContact OG-CB 3.32Å; S98-N391 PolarHBondContact OG-OD1 2.93Å; H305-N391 PolarHBondContact CE1-ND2 2.98Å; H305-N391 PolarHBondContact ND1-ND2 2.96Å; G361-N391 WeakPolarHBondContact CA-OD1 3.27Å; G361-N391 PolarHBondContact N-OD1 3.39Å; N391-V398 CarbonylContact O-C 3.48Å; N391-V398 WeakPolarHBondContact O-CA 3.38Å; N391-V399 PolarHBondContact N-O 3.05Å; N391-V399 PolarHBondContact O-N 3.13Å
392L98.6Very high97.9Very high2 Ų219.7 Ų19.71%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-112.5146.4-179176.171.7000110.4C94 V276 M280 H305 V398C94-L392 CarbonylContact C-O 3.51Å; C94-L392 VanDerWaalsContact CB-O 3.22Å; C94-L392 WeakPolarHBondContact CB-O 3.26Å; V276-L392 WeakPolarHBondContact O-CD2 3.34Å; M280-L392 HydrophobicContact CE-CD1 4.21Å; H305-L392 HydrophobicContact CB-CB 4.17Å; H305-L392 PolarHBondContact CD2-O 3.46Å; H305-L392 PolarHBondContact CE1-O 3.41Å; H305-L392 PolarHBondContact ND1-O 2.59Å; H305-L392 PolarHBondContact NE2-O 2.94Å; H305-L392 VanDerWaalsContact NE2-O 3.09Å; L392-V398 HydrophobicContact CB-CG2 4.27Å; L392-V398 HydrophobicContact CD1-CB 3.74Å; L392-V398 HydrophobicContact CD1-CG2 4.21Å
393G97.9Very high98Very high2 Ų214.2 Ų14.22%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-140.8131.3165.400000109.4S95 G396 A397S95-G393 PolarHBondContact OG-N 2.91Å; G393-G396 CarbonylContact O-C 3.56Å; G393-G396 WeakPolarHBondContact O-CA 3.08Å; G393-A397 PolarHBondContact N-O 3.17Å; G393-A397 PolarHBondContact O-N 3.29Å
394L96.6Very high98.3Very high25 Ų2515.6 Ų15.613%0.1318%0.084CC..THydrogen-bonded Turntrans-72.8157.2179.1-59.4-177.6000111.3N93 M162 F163 V276N93-L394 PolarHBondContact ND2-O 3.14Å; M162-L394 HydrophobicContact SD-CD1 3.47Å; M162-L394 WeakPolarHBondContact SD-CD1 3.26Å; F163-L394 HydrophobicContact CE2-CD1 4.05Å; F163-L394 HydrophobicContact CZ-CD1 4Å; F163-L394 HydrophobicContact CZ-CG 4.37Å; V276-L394 HydrophobicContact CB-CD2 4.4Å
395G95.1Very high98.3Very high31 Ų3115.8 Ų15.832%0.328%0.083SC..THydrogen-bonded Turntrans120.8-41.8-168.300000112.9H143H143-G395 PolarHBondContact CE1-O 3.05Å
396G95.4Very high98.3Very high8 Ų89.3 Ų9.38%0.0826%0.058CC..THydrogen-bonded Turncis-162.8-175.6-26.700000114T261 D262 G393T261-G396 WeakPolarHBondContact CA-O 3.28Å; D262-G396 PolarHBondContact OD2-N 3.42Å; G393-G396 CarbonylContact O-C 3.56Å; G393-G396 WeakPolarHBondContact O-CA 3.08Å
397A98.7Very high98.2Very high0 Ų010.4 Ų10.40%06%0.061CC..EExtended strand (participates in β ladder)trans-141.1146.3175.900000112.5N92 S95 M259 M260 T261 G393N92-A397 WeakPolarHBondContact ND2-CB 3.49Å; S95-A397 WeakPolarHBondContact CB-O 3.4Å; S95-A397 PolarHBondContact OG-O 2.87Å; M259-A397 HydrophobicContact CG-CB 4.08Å; M259-A397 HydrophobicContact SD-CB 4.25Å; M260-A397 CarbonylContact O-C 3.53Å; M260-A397 VanDerWaalsContact O-CA 3.29Å; M260-A397 WeakPolarHBondContact O-CA 3.32Å; T261-A397 HydrophobicContact CG2-CB 4.32Å; G393-A397 PolarHBondContact N-O 3.17Å; G393-A397 PolarHBondContact O-N 3.29Å
398V98.9Very high97.8Very high0 Ų013 Ų130%08%0.078CC..EExtended strand (participates in β ladder)trans-107.8145163.668.90000109.5M259 M260 M280 A284 H390 N391 L392 V400M259-V398 CarbonylContact C-O 3.55Å; M259-V398 VanDerWaalsContact CA-O 3.24Å; M259-V398 WeakPolarHBondContact CA-O 2.93Å; M260-V398 HydrophobicContact CB-CG1 3.85Å; M260-V398 PolarHBondContact N-O 3.31Å; M260-V398 PolarHBondContact O-N 3.45Å; M280-V398 HydrophobicContact CB-CB 4.43Å; M280-V398 HydrophobicContact CB-CG1 3.71Å; M280-V398 HydrophobicContact CE-CB 4.42Å; M280-V398 HydrophobicContact CE-CG1 4.42Å; M280-V398 WeakPolarHBondContact O-CG1 3.25Å; A284-V398 HydrophobicContact CB-CG1 3.79Å; H390-V398 WeakPolarHBondContact NE2-CG2 3.23Å; N391-V398 CarbonylContact O-C 3.48Å; N391-V398 WeakPolarHBondContact O-CA 3.38Å; L392-V398 HydrophobicContact CB-CG2 4.27Å; L392-V398 HydrophobicContact CD1-CB 3.74Å; L392-V398 HydrophobicContact CD1-CG2 4.21Å; V398-V400 HydrophobicContact CG2-CG2 4.35Å
399V98.9Very high97.2Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-123.6122.9168.5-175.40000108.8F102 Q257 E258 M259 N391F102-V399 HydrophobicContact CD2-CG1 4.48Å; Q257-V399 HydrophobicContact CG-CG1 4.01Å; E258-V399 WeakPolarHBondContact O-CA 3.5Å; M259-V399 HydrophobicContact CB-CG2 4.2Å; M259-V399 HydrophobicContact CE-CG2 3.61Å; M259-V399 HydrophobicContact CG-CG2 4.07Å; N391-V399 PolarHBondContact N-O 3.05Å; N391-V399 PolarHBondContact O-N 3.13Å
400V98.9Very high96.3Very high0 Ų020.8 Ų20.80%012%0.119CC..EExtended strand (participates in β ladder)trans-109.7134171.7178.70000108.7Q257 E258 A284 C288 L319 L388 Q389 V398Q257-V400 VanDerWaalsContact CA-O 3.31Å; Q257-V400 WeakPolarHBondContact CA-O 3.47Å; E258-V400 PolarHBondContact N-O 2.99Å; E258-V400 PolarHBondContact O-N 2.75Å; A284-V400 HydrophobicContact CB-CB 4.06Å; A284-V400 HydrophobicContact CB-CG2 3.63Å; C288-V400 HydrophobicContact CB-CG1 4.29Å; C288-V400 PolarHBondContact SG-O 3.44Å; C288-V400 VanDerWaalsContact SG-O 3.32Å; L319-V400 HydrophobicContact CD2-CG2 4.47Å; L388-V400 HydrophobicContact CD2-CG1 4.4Å; L388-V400 HydrophobicContact CG-CG1 4.3Å; Q389-V400 CarbonylContact O-C 3.52Å; Q389-V400 VanDerWaalsContact O-CA 3.26Å; Q389-V400 WeakPolarHBondContact O-CA 3.39Å; V398-V400 HydrophobicContact CG2-CG2 4.35Å
401T98.9Very high95.1Very high0 Ų021 Ų210%012%0.12CC..EExtended strand (participates in β ladder)trans-133.8134.1-179.6-42.40000110.9I254 A256 Q257 L388 Q389 Y403I254-T401 HydrophobicContact CG1-CG2 4.36Å; I254-T401 HydrophobicContact CG2-CG2 3.65Å; A256-T401 CarbonylContact O-C 3.57Å; A256-T401 WeakPolarHBondContact O-CA 3.36Å; Q257-T401 HydrophobicContact CB-CG2 3.98Å; Q257-T401 HydrophobicContact CG-CG2 3.87Å; Q257-T401 WeakPolarHBondContact CG-OG1 3.38Å; Q257-T401 PolarHBondContact NE2-OG1 2.94Å; L388-T401 WeakPolarHBondContact CA-O 3.31Å; Q389-T401 PolarHBondContact N-O 3.49Å; Q389-T401 PolarHBondContact O-N 3.23Å; T401-Y403 WeakPolarHBondContact CB-OH 3.39Å; T401-Y403 HydrophobicContact CG2-CD1 4.27Å; T401-Y403 HydrophobicContact CG2-CD2 4.23Å; T401-Y403 HydrophobicContact CG2-CE1 3.62Å; T401-Y403 HydrophobicContact CG2-CE2 3.58Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.45Å
402L98.9Very high93.8Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-107.2134.4173.5-64179.7000110.2L255 A256 C288 Y289 S292 L294 I299 A387 L388L255-L402 HydrophobicContact CB-CB 4.28Å; L255-L402 PolarHBondContact N-O 2.86Å; A256-L402 HydrophobicContact CB-CD1 4.38Å; A256-L402 PolarHBondContact O-N 2.78Å; C288-L402 HydrophobicContact CB-CD1 3.92Å; C288-L402 HydrophobicContact CB-CG 4.12Å; Y289-L402 HydrophobicContact CD1-CD1 4.15Å; Y289-L402 HydrophobicContact CE1-CD1 4.43Å; Y289-L402 HydrophobicContact CE1-CD2 4.45Å; S292-L402 VanDerWaalsContact OG-CD1 3.26Å; S292-L402 WeakPolarHBondContact OG-CD1 3.3Å; L294-L402 HydrophobicContact CD1-CD1 4.35Å; I299-L402 HydrophobicContact CD1-CD2 3.75Å; A387-L402 WeakPolarHBondContact O-CA 3.28Å; L388-L402 HydrophobicContact CB-CD2 3.81Å; L388-L402 HydrophobicContact CD1-CD2 3.77Å; L388-L402 HydrophobicContact CG-CD2 3.77Å
403Y98.9Very high91.8Very high0 Ų026.2 Ų26.20%016%0.157CC..EExtended strand (participates in β ladder)trans-127.9151.2-176.4-53.2-92.7000112.8V16 L101 V252 E253 I254 L368 V386 A387 Q389 T401V16-Y403 HydrophobicContact CG2-CE1 4.37Å; L101-Y403 VanDerWaalsContact CD2-OH 3.25Å; L101-Y403 WeakPolarHBondContact CD2-OH 3.42Å; V252-Y403 HydrophobicContact CG1-CD1 4.05Å; V252-Y403 HydrophobicContact CG1-CG 4.31Å; E253-Y403 VanDerWaalsContact O-CA 3.26Å; E253-Y403 WeakPolarHBondContact O-CA 3.22Å; I254-Y403 HydrophobicContact CD1-CE1 4.31Å; I254-Y403 HydrophobicContact CG1-CD1 3.86Å; I254-Y403 HydrophobicContact CG1-CE1 3.66Å; L368-Y403 HydrophobicContact CD1-CD2 3.95Å; L368-Y403 HydrophobicContact CD1-CE2 3.87Å; V386-Y403 WeakPolarHBondContact CA-O 3.39Å; A387-Y403 HydrophobicContact CB-CD2 4.5Å; A387-Y403 PolarHBondContact N-O 3.33Å; A387-Y403 PolarHBondContact O-N 3.2Å; Q389-Y403 HydrophobicContact CB-CE2 3.72Å; Q389-Y403 PolarHBondContact OE1-OH 3.17Å; T401-Y403 WeakPolarHBondContact CB-OH 3.39Å; T401-Y403 HydrophobicContact CG2-CD1 4.27Å; T401-Y403 HydrophobicContact CG2-CD2 4.23Å; T401-Y403 HydrophobicContact CG2-CE1 3.62Å; T401-Y403 HydrophobicContact CG2-CE2 3.58Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.45Å
404K98.7Very high89.9Confident91 Ų9129.9 Ų29.940%0.39617%0.173SC..EExtended strand (participates in β ladder)trans-152.3157.6170179.5170.8-178.1-174.30110V252 E253 L255 K385 G406V252-K404 CarbonylContact C-O 3.46Å; E253-K404 PolarHBondContact N-O 2.73Å; E253-K404 PolarHBondContact O-N 3.18Å; E253-K404 VanDerWaalsContact O-N 3.09Å; L255-K404 HydrophobicContact CD1-CB 3.75Å; L255-K404 HydrophobicContact CD1-CD 4.46Å; L255-K404 HydrophobicContact CD2-CB 4.29Å; L255-K404 HydrophobicContact CG-CB 4.12Å; K385-K404 WeakPolarHBondContact O-CG 3.23Å; K404-G406 PolarHBondContact O-N 2.85Å
405M98.6Very high88Confident15 Ų1532.8 Ų32.87%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-59.5125.1168.2-68.9-53.2-65.200110.4S249 V252 L372 R373 F407 A411S249-M405 VanDerWaalsContact O-CE 3.31Å; S249-M405 WeakPolarHBondContact O-CE 3.33Å; V252-M405 HydrophobicContact CG2-SD 3.67Å; L372-M405 HydrophobicContact CB-CG 4.37Å; L372-M405 HydrophobicContact CB-SD 4.07Å; L372-M405 WeakPolarHBondContact O-CG 3.31Å; R373-M405 HydrophobicContact CG-CE 4.01Å; R373-M405 HydrophobicContact CG-SD 3.85Å; M405-F407 VanDerWaalsContact C-N 3.33Å; M405-F407 PolarHBondContact O-N 3.38Å; M405-A411 HydrophobicContact CE-CB 3.55Å; M405-A411 HydrophobicContact CG-CB 4.36Å
406G97.6Very high85.4Confident10 Ų1035.4 Ų35.410%0.10319%0.192CC..SBendtrans-73-25.2-177.200000114.2R13 A251 K404R13-G406 PolarHBondContact NH2-O 2.95Å; R13-G406 VanDerWaalsContact NH2-O 3.1Å; A251-G406 PolarHBondContact O-N 3.23Å; K404-G406 PolarHBondContact O-N 2.85Å
407F96.9Very high82.6Confident35 Ų3542.9 Ų42.915%0.15422%0.224CC..SBendtrans-138.174.4179.5-53.1-86.8000109.6F15 E239 V242 Q248 A251 M405 E409 A410 A411F15-F407 HydrophobicContact CD1-CE2 4.18Å; F15-F407 HydrophobicContact CE1-CD2 4.49Å; F15-F407 AromaticContact CE1-CE2 3.72Å; F15-F407 HydrophobicContact CE1-CE2 3.72Å; F15-F407 HydrophobicContact CE1-CZ 4.2Å; F15-F407 AromaticContact CZ-CE2 3.95Å; F15-F407 HydrophobicContact CZ-CE2 3.95Å; F15-F407 HydrophobicContact CZ-CZ 4.02Å; E239-F407 HydrophobicContact CG-CZ 4.22Å; V242-F407 HydrophobicContact CG1-CD2 4.35Å; V242-F407 HydrophobicContact CG1-CE2 3.7Å; V242-F407 HydrophobicContact CG1-CZ 4.3Å; Q248-F407 HydrophobicContact CB-CB 3.94Å; Q248-F407 HydrophobicContact CB-CD2 3.89Å; Q248-F407 HydrophobicContact CB-CG 3.87Å; Q248-F407 HydrophobicContact CG-CD1 4.24Å; Q248-F407 HydrophobicContact CG-CD2 4.03Å; Q248-F407 HydrophobicContact CG-CE2 4.33Å; Q248-F407 HydrophobicContact CG-CG 3.99Å; A251-F407 HydrophobicContact CB-CD2 3.94Å; A251-F407 HydrophobicContact CB-CE2 4.06Å; M405-F407 VanDerWaalsContact C-N 3.33Å; M405-F407 PolarHBondContact O-N 3.38Å; F407-E409 VanDerWaalsContact C-N 3.25Å; F407-E409 PolarHBondContact O-N 3.27Å; F407-A410 HydrophobicContact CB-CB 3.99Å; F407-A410 PolarHBondContact O-N 3.35Å; F407-A410 VanDerWaalsContact O-N 3.14Å; F407-A411 PolarHBondContact O-N 3.04Å
408P89.4Confident79.8Confident53 Ų5348.5 Ų48.534%0.34425%0.25SS..Hα-helixtrans-61-29.8-170.622.6-31.2000113.9A411 S412P408-A411 PolarHBondContact O-N 2.86Å; P408-S412 WeakPolarHBondContact O-CB 3.21Å; P408-S412 PolarHBondContact O-N 3.17Å; P408-S412 PolarHBondContact O-OG 3.26Å
409E87Confident76.6Confident138 Ų13854.6 Ų54.665%0.64528%0.282SS*.Hα-helixtrans-69.7-38.5177.3-58.375.4-164.100112.1F407 S412 S413F407-E409 VanDerWaalsContact C-N 3.25Å; F407-E409 PolarHBondContact O-N 3.27Å; E409-S412 WeakPolarHBondContact CA-OG 3.36Å; E409-S412 PolarHBondContact O-N 2.98Å; E409-S412 PolarHBondContact O-OG 3.41Å; E409-S413 WeakPolarHBondContact O-CB 3.42Å; E409-S413 PolarHBondContact O-N 3.32Å; E409-S413 PolarHBondContact O-OG 2.95Å
410A79.8Confident73.1Confident27 Ų2763.1 Ų63.122%0.22332%0.322CS..Hα-helixtrans-68.9-38.1173.600000110.9Q248 F407 S413 F414Q248-A410 HydrophobicContact CB-CB 3.68Å; F407-A410 HydrophobicContact CB-CB 3.99Å; F407-A410 PolarHBondContact O-N 3.35Å; F407-A410 VanDerWaalsContact O-N 3.14Å; A410-S413 WeakPolarHBondContact CA-OG 3.35Å; A410-S413 PolarHBondContact O-OG 3.29Å; A410-F414 WeakPolarHBondContact O-CB 3.47Å; A410-F414 PolarHBondContact O-N 3.46Å; A410-F414 VanDerWaalsContact O-N 3.14Å
411A75Confident69.8Low3 Ų366.6 Ų66.63%0.02535%0.351CS..Hα-helixtrans-69.3-34.7175.400000112.7M405 F407 P408 R415M405-A411 HydrophobicContact CE-CB 3.55Å; M405-A411 HydrophobicContact CG-CB 4.36Å; F407-A411 PolarHBondContact O-N 3.04Å; P408-A411 PolarHBondContact O-N 2.86Å; A411-R415 WeakPolarHBondContact O-CG 3.36Å; A411-R415 PolarHBondContact O-N 2.84Å; A411-R415 PolarHBondContact O-NE 2.95Å
412S71Confident66.4Low55 Ų5570.1 Ų70.139%0.38538%0.38SS..Hα-helixtrans-72.9-43.9176.158.60000111.7P408 E409 F414 R415 T416P408-S412 WeakPolarHBondContact O-CB 3.21Å; P408-S412 PolarHBondContact O-N 3.17Å; P408-S412 PolarHBondContact O-OG 3.26Å; E409-S412 WeakPolarHBondContact CA-OG 3.36Å; E409-S412 PolarHBondContact O-N 2.98Å; E409-S412 PolarHBondContact O-OG 3.41Å; S412-F414 PolarHBondContact O-N 2.79Å; S412-R415 CarbonylContact O-C 3.47Å; S412-R415 WeakPolarHBondContact O-CA 3.2Å; S412-R415 WeakPolarHBondContact O-CB 3.37Å; S412-R415 PolarHBondContact O-N 3.03Å; S412-R415 VanDerWaalsContact O-N 3.07Å; S412-T416 PolarHBondContact O-N 2.78Å; S412-T416 PolarHBondContact O-OG1 2.78Å
413S56.6Low62.9Low57 Ų5776.4 Ų76.440%0.39942%0.421SS..Hα-helixtrans-63-39.8178.649.20000112.7E409 A410 R415 T416 H417E409-S413 WeakPolarHBondContact O-CB 3.42Å; E409-S413 PolarHBondContact O-N 3.32Å; E409-S413 PolarHBondContact O-OG 2.95Å; A410-S413 WeakPolarHBondContact CA-OG 3.35Å; A410-S413 PolarHBondContact O-OG 3.29Å; S413-R415 VanDerWaalsContact C-N 3.31Å; S413-R415 PolarHBondContact O-N 2.85Å; S413-T416 PolarHBondContact O-N 2.95Å; S413-H417 PolarHBondContact O-N 2.9Å
414F58.4Low59.7Low80 Ų8081.7 Ų81.735%0.35145%0.453SS..Hα-helixtrans-60.4-40.7171.1-169.7-96.4000112A410 S412 H417 Q418A410-F414 WeakPolarHBondContact O-CB 3.47Å; A410-F414 PolarHBondContact O-N 3.46Å; A410-F414 VanDerWaalsContact O-N 3.14Å; S412-F414 PolarHBondContact O-N 2.79Å; F414-H417 PolarHBondContact O-N 2.85Å; F414-Q418 HydrophobicContact CE1-CG 4.44Å; F414-Q418 PolarHBondContact O-N 3.18Å; F414-Q418 VanDerWaalsContact O-N 3.12Å
415R56.5Low56.6Low86 Ų8684.3 Ų84.333%0.32547%0.471SS..Hα-helixtrans-65.4-42.9173.2-76.8-179.8-80.2-170.2-6.2112.1A411 S412 S413 H417 Q418 I419A411-R415 WeakPolarHBondContact O-CG 3.36Å; A411-R415 PolarHBondContact O-N 2.84Å; A411-R415 PolarHBondContact O-NE 2.95Å; S412-R415 CarbonylContact O-C 3.47Å; S412-R415 WeakPolarHBondContact O-CA 3.2Å; S412-R415 WeakPolarHBondContact O-CB 3.37Å; S412-R415 PolarHBondContact O-N 3.03Å; S412-R415 VanDerWaalsContact O-N 3.07Å; S413-R415 VanDerWaalsContact C-N 3.31Å; S413-R415 PolarHBondContact O-N 2.85Å; R415-H417 VanDerWaalsContact C-N 3.28Å; R415-H417 PolarHBondContact O-N 3.03Å; R415-Q418 CarbonylContact O-C 3.46Å; R415-Q418 WeakPolarHBondContact O-CA 3.49Å; R415-Q418 PolarHBondContact O-N 2.96Å; R415-I419 HydrophobicContact CB-CD1 4.06Å; R415-I419 VanDerWaalsContact O-CB 3.3Å; R415-I419 WeakPolarHBondContact O-CB 3.26Å; R415-I419 WeakPolarHBondContact O-CD1 3.47Å; R415-I419 WeakPolarHBondContact O-CG1 3.18Å; R415-I419 PolarHBondContact O-N 2.84Å
416T41Very low53.9Low86 Ų8688.8 Ų88.853%0.52850%0.504SS..Hα-helixtrans-62.6-36.2178.1-260000111.8S412 S413 Q418 I419 E420S412-T416 PolarHBondContact O-N 2.78Å; S412-T416 PolarHBondContact O-OG1 2.78Å; S413-T416 PolarHBondContact O-N 2.95Å; T416-Q418 VanDerWaalsContact C-N 3.34Å; T416-I419 PolarHBondContact O-N 3.21Å; T416-E420 PolarHBondContact O-N 2.94Å
417H35.9Very low51.4Low164 Ų16490.3 Ų90.376%0.75952%0.516SS*.Hα-helixtrans-72.3-23173.7-71.8-14.3000113.8S413 F414 R415S413-H417 PolarHBondContact O-N 2.9Å; F414-H417 PolarHBondContact O-N 2.85Å; R415-H417 VanDerWaalsContact C-N 3.28Å; R415-H417 PolarHBondContact O-N 3.03Å
418Q39.5Very low49.5Very low118 Ų11889.8 Ų89.855%0.55152%0.517SS*.Hα-helixtrans-84.4-22.5166.9-75.3-169.3-17.200113.6F414 R415 T416 A421F414-Q418 HydrophobicContact CE1-CG 4.44Å; F414-Q418 PolarHBondContact O-N 3.18Å; F414-Q418 VanDerWaalsContact O-N 3.12Å; R415-Q418 CarbonylContact O-C 3.46Å; R415-Q418 WeakPolarHBondContact O-CA 3.49Å; R415-Q418 PolarHBondContact O-N 2.96Å; T416-Q418 VanDerWaalsContact C-N 3.34Å; Q418-A421 WeakPolarHBondContact O-CB 3.39Å; Q418-A421 PolarHBondContact O-N 2.72Å
419I31.7Very low48.1Very low129 Ų12994.1 Ų94.166%0.66254%0.537SS*.Hα-helixtrans-86.4-5.5-175.5-68.9164.4000112.8R415 T416 A421R415-I419 HydrophobicContact CB-CD1 4.06Å; R415-I419 VanDerWaalsContact O-CB 3.3Å; R415-I419 WeakPolarHBondContact O-CB 3.26Å; R415-I419 WeakPolarHBondContact O-CD1 3.47Å; R415-I419 WeakPolarHBondContact O-CG1 3.18Å; R415-I419 PolarHBondContact O-N 2.84Å; T416-I419 PolarHBondContact O-N 3.21Å; I419-A421 PolarHBondContact O-N 3.04Å; I419-A421 VanDerWaalsContact O-N 3.17Å
420E26.5Very low47.4Very low178 Ų17890.2 Ų90.283%0.83253%0.533SS*.THydrogen-bonded Turntrans-78.926.3159.1-79.3-168.916400113.1T416 A422T416-E420 PolarHBondContact O-N 2.94Å; E420-A422 PolarHBondContact O-N 3.07Å
421A29.2Very low47.8Very low74 Ų7489.2 Ų89.261%0.61252%0.524SS*.  trans-81.196163.100000109.7Q418 I419Q418-A421 WeakPolarHBondContact O-CB 3.39Å; Q418-A421 PolarHBondContact O-N 2.72Å; I419-A421 PolarHBondContact O-N 3.04Å; I419-A421 VanDerWaalsContact O-N 3.17Å
422A27Very low48.3Very low74 Ų7494.4 Ų94.461%0.61255%0.546SS*.  trans-51.6148.2158.900000110E420 T424E420-A422 PolarHBondContact O-N 3.07Å; A422-T424 PolarHBondContact O-N 2.6Å
423P26.3Very low49.1Very low132 Ų13291.8 Ų91.886%0.85753%0.528SS*.  trans-60.5110.4-171.524.6-33000110.5
424T30.9Very low50.5Low111 Ų11190.6 Ų90.668%0.68152%0.517SS*.  trans-99104.7174.137.40000109A422 S426A422-T424 PolarHBondContact O-N 2.6Å; T424-S426 PolarHBondContact O-N 3.11Å
425N33.1Very low51.8Low145 Ų14591.4 Ų91.478%0.77553%0.525SS*.  trans-58.8124.1167-85.4-27.9000109.6A427N425-A427 PolarHBondContact O-N 3.03Å
426S42.1Very low53.2Low109 Ų10987.4 Ų87.476%0.76251%0.509SS*.SBendtrans-72.681.9-177.346.40000113T424T424-S426 PolarHBondContact O-N 3.11Å
427A46.2Very low55.6Low42 Ų4283.5 Ų83.535%0.34749%0.485SS..  trans-114.1-7.6171.500000114.7N425N425-A427 PolarHBondContact O-N 3.03Å
428S55.7Low58Low25 Ų2582.4 Ų82.418%0.17548%0.478CS..  trans-99-10-172.549.30000115.7G430 N434S428-G430 PolarHBondContact O-N 3.3Å; S428-N434 PolarHBondContact O-ND2 2.86Å
429D59.8Low60.1Low143 Ų14380 Ų8077%0.76547%0.467SS*.THydrogen-bonded Turntrans-60.9124.4-176.8-83.7-25.5000112.9
430G74.2Confident62.7Low56 Ų5674 Ų7458%0.57744%0.436SS*.THydrogen-bonded Turntrans98.6-9.4173.900000117.2S428 P467S428-G430 PolarHBondContact O-N 3.3Å; G430-P467 WeakPolarHBondContact O-CG 3.29Å
431F86.4Confident65.7Low7 Ų769.4 Ų69.43%0.03142%0.415CS..  trans-66.5139.1175.6-79.7-107.4000111.7A433 N434 V463 G466 K470 A472 W474 D501F431-A433 HydrophobicContact CB-CB 4.42Å; F431-A433 PolarHBondContact O-N 3.47Å; F431-N434 PolarHBondContact N-ND2 3.34Å; F431-N434 VanDerWaalsContact O-CB 3.3Å; F431-N434 WeakPolarHBondContact O-CB 3.13Å; F431-N434 PolarHBondContact O-N 3.5Å; F431-N434 PolarHBondContact O-ND2 3.27Å; F431-N434 VanDerWaalsContact O-ND2 3.12Å; F431-V463 HydrophobicContact CD1-CB 4.42Å; F431-V463 HydrophobicContact CD1-CG1 4.04Å; F431-V463 HydrophobicContact CE1-CB 4.42Å; F431-V463 HydrophobicContact CE1-CG1 4.26Å; F431-G466 VanDerWaalsContact CE1-CA 3.46Å; F431-K470 HydrophobicContact CE2-CB 4.19Å; F431-K470 HydrophobicContact CZ-CB 4.01Å; F431-K470 VanDerWaalsContact CZ-O 3.29Å; F431-K470 WeakPolarHBondContact CZ-O 3.47Å; F431-A472 HydrophobicContact CD2-CB 4.31Å; F431-A472 HydrophobicContact CE1-CB 3.99Å; F431-A472 HydrophobicContact CE2-CB 3.79Å; F431-A472 HydrophobicContact CZ-CB 3.6Å; F431-W474 HydrophobicContact CB-CH2 3.94Å; F431-W474 HydrophobicContact CB-CZ2 4.38Å; F431-W474 AromaticContact CD1-CH2 3.94Å; F431-W474 HydrophobicContact CD1-CH2 3.94Å; F431-W474 HydrophobicContact CD1-CZ3 4.45Å; F431-W474 HydrophobicContact CD2-CH2 4.29Å; F431-W474 HydrophobicContact CE1-CH2 4.5Å; F431-W474 AromaticContact CG-CH2 3.81Å; F431-W474 HydrophobicContact CG-CH2 3.81Å; F431-D501 HydrophobicContact CD1-CB 4.21Å
432K87.1Confident68.4Low111 Ų11170.7 Ų70.748%0.48341%0.406SS..THydrogen-bonded Turntrans-64.5-32.3172.3-66.9178.1-177.9174.80111.3N434 L435 D501 L505K432-N434 PolarHBondContact O-N 2.73Å; K432-N434 VanDerWaalsContact O-N 3.17Å; K432-L435 PolarHBondContact O-N 2.78Å; K432-D501 WeakPolarHBondContact CB-OD2 3.31Å; K432-D501 PolarHBondContact N-OD1 3.25Å; K432-D501 VanDerWaalsContact N-OD1 3.17Å; K432-D501 PolarHBondContact N-OD2 3.32Å; K432-L505 HydrophobicContact CB-CD2 4.18Å; K432-L505 HydrophobicContact CD-CD2 4.14Å
433A86.6Confident71.2Confident0 Ų069.8 Ų69.80%039%0.389CS..Hα-helixtrans-55.6-2717400000113.5F431 L435 V436 F437 V463 W474 D501 F504F431-A433 HydrophobicContact CB-CB 4.42Å; F431-A433 PolarHBondContact O-N 3.47Å; A433-L435 VanDerWaalsContact C-N 3.27Å; A433-L435 PolarHBondContact O-N 3.43Å; A433-V436 WeakPolarHBondContact O-CB 3.49Å; A433-V436 PolarHBondContact O-N 2.66Å; A433-V436 VanDerWaalsContact O-N 3.1Å; A433-F437 HydrophobicContact CB-CD2 4.14Å; A433-F437 HydrophobicContact CB-CE2 3.93Å; A433-F437 WeakPolarHBondContact O-CD2 3.31Å; A433-F437 PolarHBondContact O-N 3.47Å; A433-V463 HydrophobicContact CB-CG1 4.17Å; A433-V463 HydrophobicContact CB-CG2 4.03Å; A433-W474 HydrophobicContact CB-CH2 4.37Å; A433-W474 HydrophobicContact CB-CZ3 4.46Å; A433-D501 VanDerWaalsContact CB-OD1 3.3Å; A433-D501 WeakPolarHBondContact CB-OD1 3.49Å; A433-D501 PolarHBondContact N-OD1 2.88Å; A433-F504 HydrophobicContact CB-CD1 3.54Å; A433-F504 HydrophobicContact CB-CE1 3.85Å
434N87.1Confident74Confident32 Ų3263.7 Ų63.717%0.17135%0.349CS..Hα-helixtrans-57.1-40176.8-74.7-41.4000112.8S428 F431 K432 V436 F437 K438 W474S428-N434 PolarHBondContact O-ND2 2.86Å; F431-N434 PolarHBondContact N-ND2 3.34Å; F431-N434 VanDerWaalsContact O-CB 3.3Å; F431-N434 WeakPolarHBondContact O-CB 3.13Å; F431-N434 PolarHBondContact O-N 3.5Å; F431-N434 PolarHBondContact O-ND2 3.27Å; F431-N434 VanDerWaalsContact O-ND2 3.12Å; K432-N434 PolarHBondContact O-N 2.73Å; K432-N434 VanDerWaalsContact O-N 3.17Å; N434-V436 VanDerWaalsContact C-N 3.27Å; N434-V436 PolarHBondContact O-N 2.82Å; N434-F437 PolarHBondContact O-N 3.04Å; N434-K438 WeakPolarHBondContact O-CG 3.49Å; N434-K438 PolarHBondContact O-N 3.41Å; N434-W474 VanDerWaalsContact OD1-CZ2 3.25Å; N434-W474 WeakPolarHBondContact OD1-CZ2 3.27Å
435L84.4Confident76.7Confident98 Ų9864.9 Ų64.951%0.51335%0.347SS..Hα-helixtrans-63.1-39.9179.6-65.7172.8000110.7K432 A433 E439K432-L435 PolarHBondContact O-N 2.78Å; A433-L435 VanDerWaalsContact C-N 3.27Å; A433-L435 PolarHBondContact O-N 3.43Å; L435-E439 WeakPolarHBondContact O-CG 3.46Å; L435-E439 PolarHBondContact O-N 3.27Å
436V86.7Confident79.2Confident1 Ų164.3 Ų64.31%0.00634%0.339CS..Hα-helixtrans-65.6-45.9177.2-178.10000110.8A433 N434 E439 I440 F504 L505 M508A433-V436 WeakPolarHBondContact O-CB 3.49Å; A433-V436 PolarHBondContact O-N 2.66Å; A433-V436 VanDerWaalsContact O-N 3.1Å; N434-V436 VanDerWaalsContact C-N 3.27Å; N434-V436 PolarHBondContact O-N 2.82Å; V436-E439 PolarHBondContact O-N 3Å; V436-I440 HydrophobicContact CG1-CD1 3.96Å; V436-I440 HydrophobicContact CG1-CG1 4.49Å; V436-I440 WeakPolarHBondContact O-CG1 3.33Å; V436-I440 PolarHBondContact O-N 3.07Å; V436-F504 HydrophobicContact CB-CE1 3.94Å; V436-F504 HydrophobicContact CG1-CE1 3.88Å; V436-F504 HydrophobicContact CG1-CZ 4.13Å; V436-F504 HydrophobicContact CG2-CE1 4.3Å; V436-L505 HydrophobicContact CG2-CD1 3.57Å; V436-M508 HydrophobicContact CG1-CB 3.56Å; V436-M508 HydrophobicContact CG1-CE 3.9Å; V436-M508 HydrophobicContact CG1-CG 3.77Å; V436-M508 HydrophobicContact CG2-CB 4.17Å
437F91.4Very high81.4Confident4 Ų463.5 Ų63.52%0.01832%0.324CS..Hα-helixtrans-68.7-33.9-178.1-74.8-58.8000113.2A433 N434 I440 E441 F461 V463 W474 V476 V485 F504A433-F437 HydrophobicContact CB-CD2 4.14Å; A433-F437 HydrophobicContact CB-CE2 3.93Å; A433-F437 WeakPolarHBondContact O-CD2 3.31Å; A433-F437 PolarHBondContact O-N 3.47Å; N434-F437 PolarHBondContact O-N 3.04Å; F437-I440 HydrophobicContact CD1-CD1 3.98Å; F437-I440 HydrophobicContact CE1-CD1 4.22Å; F437-I440 PolarHBondContact O-N 3.09Å; F437-E441 WeakPolarHBondContact O-CB 3.34Å; F437-E441 PolarHBondContact O-N 3.25Å; F437-F461 HydrophobicContact CE1-CB 4.29Å; F437-F461 AromaticContact CE1-CD2 3.64Å; F437-F461 HydrophobicContact CE1-CD2 3.64Å; F437-F461 HydrophobicContact CE1-CE2 4.04Å; F437-F461 AromaticContact CE1-CG 3.92Å; F437-F461 HydrophobicContact CE1-CG 3.92Å; F437-F461 HydrophobicContact CE2-CB 4.44Å; F437-F461 HydrophobicContact CZ-CB 3.55Å; F437-F461 HydrophobicContact CZ-CD1 4.2Å; F437-F461 AromaticContact CZ-CD2 3.8Å; F437-F461 HydrophobicContact CZ-CD2 3.8Å; F437-F461 AromaticContact CZ-CG 3.59Å; F437-F461 HydrophobicContact CZ-CG 3.59Å; F437-V463 HydrophobicContact CE2-CG2 4.4Å; F437-W474 HydrophobicContact CD1-CB 4Å; F437-W474 HydrophobicContact CD1-CG 4.18Å; F437-W474 HydrophobicContact CD2-CB 3.93Å; F437-W474 AromaticContact CD2-CD1 3.46Å; F437-W474 VanDerWaalsContact CD2-CD1 3.46Å; F437-W474 AromaticContact CD2-CD2 3.45Å; F437-W474 HydrophobicContact CD2-CD2 3.45Å; F437-W474 VanDerWaalsContact CD2-CD2 3.45Å; F437-W474 AromaticContact CD2-CE2 3.68Å; F437-W474 HydrophobicContact CD2-CE3 4.11Å; F437-W474 AromaticContact CD2-CG 3.34Å; F437-W474 HydrophobicContact CD2-CG 3.34Å; F437-W474 HydrophobicContact CD2-CZ2 4.48Å; F437-W474 AromaticContact CD2-NE1 3.64Å; F437-W474 HydrophobicContact CE1-CB 3.76Å; F437-W474 HydrophobicContact CE1-CG 4.25Å; F437-W474 HydrophobicContact CE2-CB 3.67Å; F437-W474 AromaticContact CE2-CD2 3.38Å; F437-W474 HydrophobicContact CE2-CD2 3.38Å; F437-W474 AromaticContact CE2-CE3 3.6Å; F437-W474 HydrophobicContact CE2-CE3 3.6Å; F437-W474 AromaticContact CE2-CG 3.42Å; F437-W474 HydrophobicContact CE2-CG 3.42Å; F437-W474 VanDerWaalsContact CE2-CG 3.42Å; F437-W474 HydrophobicContact CE2-CZ3 4.42Å; F437-W474 HydrophobicContact CG-CB 4.12Å; F437-W474 AromaticContact CG-CD1 3.62Å; F437-W474 HydrophobicContact CG-CD2 4.34Å; F437-W474 AromaticContact CG-CG 3.77Å; F437-W474 HydrophobicContact CG-CG 3.77Å; F437-W474 HydrophobicContact CZ-CB 3.61Å; F437-W474 HydrophobicContact CZ-CD2 4.23Å; F437-W474 HydrophobicContact CZ-CE3 4.4Å; F437-W474 AromaticContact CZ-CG 3.92Å; F437-W474 HydrophobicContact CZ-CG 3.92Å; F437-V476 HydrophobicContact CD1-CG2 3.93Å; F437-V476 HydrophobicContact CE1-CG2 3.74Å; F437-V485 HydrophobicContact CB-CG1 4.05Å; F437-V485 HydrophobicContact CD1-CG1 4Å; F437-V485 HydrophobicContact CG-CG1 4.3Å; F437-F504 HydrophobicContact CD2-CE1 4.23Å; F437-F504 HydrophobicContact CE1-CE1 4.36Å; F437-F504 AromaticContact CE1-CZ 3.93Å; F437-F504 HydrophobicContact CE1-CZ 3.93Å; F437-F504 HydrophobicContact CE2-CD1 4.42Å; F437-F504 AromaticContact CE2-CE1 3.5Å; F437-F504 HydrophobicContact CE2-CE1 3.5Å; F437-F504 VanDerWaalsContact CE2-CE1 3.5Å; F437-F504 AromaticContact CE2-CZ 3.81Å; F437-F504 HydrophobicContact CE2-CZ 3.81Å; F437-F504 AromaticContact CZ-CE1 3.55Å; F437-F504 HydrophobicContact CZ-CE1 3.55Å; F437-F504 HydrophobicContact CZ-CE2 4.28Å; F437-F504 AromaticContact CZ-CZ 3.31Å; F437-F504 HydrophobicContact CZ-CZ 3.31Å
438K85.8Confident83.3Confident142 Ų14261.6 Ų61.662%0.61731%0.309SS*.Hα-helixtrans-62.8-41.2170.4-75.2-176177.1-171.90112.5N434 E441 K442N434-K438 WeakPolarHBondContact O-CG 3.49Å; N434-K438 PolarHBondContact O-N 3.41Å; K438-E441 PolarHBondContact O-N 3.24Å; K438-K442 WeakPolarHBondContact O-CB 3.23Å; K438-K442 PolarHBondContact O-N 2.87Å
439E84.1Confident84.9Confident66 Ų6665.6 Ų65.631%0.30832%0.324SS..Hα-helixtrans-70-35.4176.2-73.4-60.5151.400112.7L435 V436 K443 L540L435-E439 WeakPolarHBondContact O-CG 3.46Å; L435-E439 PolarHBondContact O-N 3.27Å; V436-E439 PolarHBondContact O-N 3Å; E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 3.35Å; E439-L540 HydrophobicContact CB-CD1 4.39Å; E439-L540 HydrophobicContact CB-CD2 3.9Å
440I86.6Confident86.2Confident3 Ų365.2 Ų65.22%0.01532%0.318CS..Hα-helixtrans-63.8-45.2172-68.3166.2000110.3V436 F437 K443 L444 V476 V485 M508V436-I440 HydrophobicContact CG1-CD1 3.96Å; V436-I440 HydrophobicContact CG1-CG1 4.49Å; V436-I440 WeakPolarHBondContact O-CG1 3.33Å; V436-I440 PolarHBondContact O-N 3.07Å; F437-I440 HydrophobicContact CD1-CD1 3.98Å; F437-I440 HydrophobicContact CE1-CD1 4.22Å; F437-I440 PolarHBondContact O-N 3.09Å; I440-K443 PolarHBondContact O-N 3.11Å; I440-L444 HydrophobicContact CG2-CD1 3.9Å; I440-L444 HydrophobicContact CG2-CG 4.3Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 3.25Å; I440-V476 HydrophobicContact CG2-CG1 3.93Å; I440-V485 HydrophobicContact CB-CG2 4.34Å; I440-V485 HydrophobicContact CG2-CG2 3.84Å; I440-M508 HydrophobicContact CD1-CE 3.87Å
441E89.8Confident86.8Confident82 Ų8263.5 Ų63.538%0.38330%0.295SS..Hα-helixtrans-57.5-50177.8-175.8167.3-133.100111F437 K438 K443 L444 E445 V485F437-E441 WeakPolarHBondContact O-CB 3.34Å; F437-E441 PolarHBondContact O-N 3.25Å; K438-E441 PolarHBondContact O-N 3.24Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 2.64Å; E441-L444 PolarHBondContact O-N 3.3Å; E441-E445 WeakPolarHBondContact O-CG 3.38Å; E441-E445 PolarHBondContact O-N 2.91Å; E441-V485 HydrophobicContact CB-CB 4.24Å; E441-V485 HydrophobicContact CB-CG2 3.86Å
442K85.2Confident86.9Confident101 Ų10164.4 Ų64.444%0.43930%0.301SS..Hα-helixtrans-55.8-44.8174.5-174.3-176.9175.4-172.40113K438 L444 E445 E446K438-K442 WeakPolarHBondContact O-CB 3.23Å; K438-K442 PolarHBondContact O-N 2.87Å; K442-L444 VanDerWaalsContact C-N 3.31Å; K442-L444 PolarHBondContact O-N 3.32Å; K442-E445 WeakPolarHBondContact O-CB 3.45Å; K442-E445 PolarHBondContact O-N 2.86Å; K442-E446 WeakPolarHBondContact CE-OE1 3.3Å; K442-E446 WeakPolarHBondContact O-CG 3.36Å; K442-E446 PolarHBondContact O-N 3.42Å; K442-E446 VanDerWaalsContact O-N 3.13Å
443K85.5Confident86.9Confident55 Ų5567.5 Ų67.524%0.23931%0.314CS..Hα-helixtrans-64.3-34.9176.4-77.9-174.9176.7-1710113.1E439 I440 E441 E447 F451E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 3.35Å; I440-K443 PolarHBondContact O-N 3.11Å; E441-K443 VanDerWaalsContact C-N 3.34Å; E441-K443 PolarHBondContact O-N 2.64Å; K443-E447 PolarHBondContact O-N 3.28Å; K443-F451 HydrophobicContact CB-CE2 4.42Å
444L86.1Confident86.8Confident4 Ų473.3 Ų73.32%0.02134%0.339CS..Hα-helixtrans-72-31.2176.3-68.9173.5000111.5I440 E441 K442 G448 F451 V476 V478 V485I440-L444 HydrophobicContact CG2-CD1 3.9Å; I440-L444 HydrophobicContact CG2-CG 4.3Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 3.25Å; E441-L444 PolarHBondContact O-N 3.3Å; K442-L444 VanDerWaalsContact C-N 3.31Å; K442-L444 PolarHBondContact O-N 3.32Å; L444-G448 WeakPolarHBondContact O-CA 3.36Å; L444-G448 PolarHBondContact O-N 2.9Å; L444-F451 HydrophobicContact CD2-CB 4Å; L444-F451 HydrophobicContact CD2-CD2 4.36Å; L444-F451 HydrophobicContact CD2-CG 4.4Å; L444-V476 HydrophobicContact CD1-CG1 3.98Å; L444-V478 HydrophobicContact CD2-CG1 4.07Å; L444-V478 HydrophobicContact CD2-CG2 4.36Å; L444-V485 HydrophobicContact CD1-CG2 4.12Å
445E86.7Confident86.9Confident137 Ų13771.9 Ų71.964%0.6433%0.332SS*.Hα-helixtrans-65.4-42.2171.9-69.2175.5167.700112.1E441 K442E441-E445 WeakPolarHBondContact O-CG 3.38Å; E441-E445 PolarHBondContact O-N 2.91Å; K442-E445 WeakPolarHBondContact O-CB 3.45Å; K442-E445 PolarHBondContact O-N 2.86Å
446E85.6Confident87.2Confident132 Ų13268.9 Ų68.962%0.61733%0.325SS*.Hα-helixtrans-78-46-177.1-68173.9-176.400112.8K442K442-E446 WeakPolarHBondContact CE-OE1 3.3Å; K442-E446 WeakPolarHBondContact O-CG 3.36Å; K442-E446 PolarHBondContact O-N 3.42Å; K442-E446 VanDerWaalsContact O-N 3.13Å
447E87.6Confident87.4Confident92 Ų9268.9 Ų68.943%0.4332%0.324SS..Hα-helixtrans-128.314.4-168.3-64.4-179.3-179.100113.5K443 E449 Q450 F451K443-E447 PolarHBondContact O-N 3.28Å; E447-E449 PolarHBondContact O-N 2.99Å; E447-E449 VanDerWaalsContact O-N 3.17Å; E447-Q450 WeakPolarHBondContact O-CB 3.33Å; E447-Q450 PolarHBondContact O-N 2.75Å; E447-F451 HydrophobicContact CB-CD2 3.92Å; E447-F451 HydrophobicContact CB-CE2 3.72Å; E447-F451 WeakPolarHBondContact O-CD2 3.19Å; E447-F451 PolarHBondContact O-N 3.05Å
448G86.3Confident87.4Confident3 Ų369.3 Ų69.33%0.03133%0.327CS..Hα-helixtrans-50.2-43.8-170.700000116.7L444 Q450 F451 V452 K482L444-G448 WeakPolarHBondContact O-CA 3.36Å; L444-G448 PolarHBondContact O-N 2.9Å; G448-Q450 PolarHBondContact O-N 3.47Å; G448-F451 PolarHBondContact O-N 3.05Å; G448-F451 VanDerWaalsContact O-N 3.17Å; G448-V452 VanDerWaalsContact O-CG2 3.31Å; G448-V452 WeakPolarHBondContact O-CG2 3.46Å; G448-V452 PolarHBondContact O-N 3.42Å; G448-K482 CarbonylContact C-O 3.33Å; G448-K482 WeakPolarHBondContact CA-O 3.25Å
449E89.4Confident87.8Confident109 Ų10962.5 Ų62.551%0.50930%0.297SS..Hα-helixtrans-62.5-32.2179.6-62.8-175.8-171.500112.7E447 K453 K482E447-E449 PolarHBondContact O-N 2.99Å; E447-E449 VanDerWaalsContact O-N 3.17Å; E449-K453 WeakPolarHBondContact O-CG 3.33Å; E449-K453 PolarHBondContact O-N 3.17Å; E449-K482 HydrophobicContact CG-CG 3.95Å; E449-K482 WeakPolarHBondContact OE1-CE 3.43Å
450Q88.4Confident88.3Confident134 Ų13459.8 Ų59.863%0.62629%0.286SS*.Hα-helixtrans-73-42.8176.4-56.5-174.213.100110.5E447 G448 K453 K454E447-Q450 WeakPolarHBondContact O-CB 3.33Å; E447-Q450 PolarHBondContact O-N 2.75Å; G448-Q450 PolarHBondContact O-N 3.47Å; Q450-K453 PolarHBondContact O-N 2.71Å; Q450-K454 VanDerWaalsContact O-CB 3.31Å; Q450-K454 WeakPolarHBondContact O-CB 3.35Å; Q450-K454 PolarHBondContact O-N 3.33Å
451F86.3Confident88.6Confident21 Ų2159.7 Ų59.79%0.09229%0.285CS..Hα-helixtrans-63.7-41.1176.1-76.8-65.7000112.2K443 L444 E447 G448 K453 K454 I455 V478 N537 L538K443-F451 HydrophobicContact CB-CE2 4.42Å; L444-F451 HydrophobicContact CD2-CB 4Å; L444-F451 HydrophobicContact CD2-CD2 4.36Å; L444-F451 HydrophobicContact CD2-CG 4.4Å; E447-F451 HydrophobicContact CB-CD2 3.92Å; E447-F451 HydrophobicContact CB-CE2 3.72Å; E447-F451 WeakPolarHBondContact O-CD2 3.19Å; E447-F451 PolarHBondContact O-N 3.05Å; G448-F451 PolarHBondContact O-N 3.05Å; G448-F451 VanDerWaalsContact O-N 3.17Å; F451-K453 PolarHBondContact O-N 3.01Å; F451-K454 PolarHBondContact O-N 3.48Å; F451-I455 HydrophobicContact CD1-CD1 4.09Å; F451-I455 WeakPolarHBondContact O-CB 3.45Å; F451-I455 WeakPolarHBondContact O-CG1 3.47Å; F451-I455 PolarHBondContact O-N 3.31Å; F451-V478 VanDerWaalsContact C-CG1 3.47Å; F451-V478 HydrophobicContact CB-CG1 3.68Å; F451-V478 WeakPolarHBondContact O-CG1 3.43Å; F451-N537 WeakPolarHBondContact CE1-O 3.44Å; F451-L538 HydrophobicContact CD1-CD2 4.09Å; F451-L538 HydrophobicContact CE1-CD2 4.39Å; F451-L538 HydrophobicContact CG-CD2 4.48Å
452V88.6Confident88.8Confident25 Ų2560.4 Ų60.415%0.15229%0.287CS..Hα-helixtrans-61.3-44.1176.1170.30000111.2G448 G456 V478 K479G448-V452 VanDerWaalsContact O-CG2 3.31Å; G448-V452 WeakPolarHBondContact O-CG2 3.46Å; G448-V452 PolarHBondContact O-N 3.42Å; V452-G456 VanDerWaalsContact O-CA 3.3Å; V452-G456 WeakPolarHBondContact O-CA 3.28Å; V452-G456 PolarHBondContact O-N 2.99Å; V452-G456 VanDerWaalsContact O-N 3.09Å; V452-V478 WeakPolarHBondContact CA-O 3.49Å; V452-V478 HydrophobicContact CG2-CG1 4.15Å; V452-K479 WeakPolarHBondContact CG1-O 3.38Å
453K86.9Confident89.1Confident176 Ų17655.7 Ų55.777%0.76527%0.267SS*.Hα-helixtrans-65-38.9175.8-73.4173.1-176.7171.50112.8E449 Q450 F451E449-K453 WeakPolarHBondContact O-CG 3.33Å; E449-K453 PolarHBondContact O-N 3.17Å; Q450-K453 PolarHBondContact O-N 2.71Å; F451-K453 PolarHBondContact O-N 3.01Å
454K84.9Confident89.4Confident123 Ų12356.4 Ų56.454%0.53527%0.27SS..Hα-helixtrans-79-41.7-174.6-168.8177.8-174.5-171.90112.7Q450 F451 K534 N537Q450-K454 VanDerWaalsContact O-CB 3.31Å; Q450-K454 WeakPolarHBondContact O-CB 3.35Å; Q450-K454 PolarHBondContact O-N 3.33Å; F451-K454 PolarHBondContact O-N 3.48Å; K454-K534 PolarHBondContact O-NZ 3.33Å; K454-K534 VanDerWaalsContact O-NZ 3.11Å; K454-N537 WeakPolarHBondContact CE-OD1 3.02Å; K454-N537 PolarHBondContact NZ-OD1 3.23Å
455I89.6Confident89.6Confident2 Ų262 Ų621%0.0130%0.3CS..THydrogen-bonded Turntrans-95.3-61.9-172.7-55.5-177.8000110.4F451 F459 V478 L531 K534 N537 L538F451-I455 HydrophobicContact CD1-CD1 4.09Å; F451-I455 WeakPolarHBondContact O-CB 3.45Å; F451-I455 WeakPolarHBondContact O-CG1 3.47Å; F451-I455 PolarHBondContact O-N 3.31Å; I455-F459 HydrophobicContact CG2-CE2 3.54Å; I455-F459 HydrophobicContact CG2-CZ 3.76Å; I455-V478 HydrophobicContact CB-CB 4.46Å; I455-V478 HydrophobicContact CB-CG1 4.18Å; I455-V478 HydrophobicContact CD1-CG1 4.26Å; I455-L531 WeakPolarHBondContact O-CD2 3.35Å; I455-K534 HydrophobicContact CG2-CB 4.16Å; I455-K534 PolarHBondContact O-NZ 3.34Å; I455-K534 VanDerWaalsContact O-NZ 3.12Å; I455-N537 HydrophobicContact CD1-CB 3.85Å; I455-N537 HydrophobicContact CG1-CB 4.22Å; I455-L538 HydrophobicContact CD1-CD1 4.02Å; I455-L538 HydrophobicContact CD1-CD2 3.86Å; I455-L538 HydrophobicContact CD1-CG 3.62Å
456G89.3Confident89.4Confident35 Ų3555.9 Ų55.936%0.36127%0.273SS..  trans69.945.3173.900000114.5V452 V478V452-G456 VanDerWaalsContact O-CA 3.3Å; V452-G456 WeakPolarHBondContact O-CA 3.28Å; V452-G456 PolarHBondContact O-N 2.99Å; V452-G456 VanDerWaalsContact O-N 3.09Å; G456-V478 VanDerWaalsContact CA-O 3.3Å; G456-V478 WeakPolarHBondContact CA-O 3.41Å; G456-V478 PolarHBondContact N-O 2.98Å
457G91.2Very high89Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-158.9160.6-175.800000114.9V478G457-V478 PolarHBondContact N-O 3.31Å; G457-V478 VanDerWaalsContact N-O 3.11Å; G457-V478 CarbonylContact O-C 3.46Å; G457-V478 WeakPolarHBondContact O-CA 3.23Å; G457-V478 PolarHBondContact O-N 2.79Å
458I92.4Very high88.6Confident13 Ų1351.9 Ų51.97%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-105.2125.5176.3-56.8171.4000109.5V475 D477 K479 A493 D494 C495I458-V475 HydrophobicContact CG2-CG1 3.45Å; I458-V475 VanDerWaalsContact CG2-CG1 3.45Å; I458-D477 HydrophobicContact CG1-CB 4.34Å; I458-K479 HydrophobicContact CD1-CD 4.22Å; I458-K479 HydrophobicContact CG1-CB 3.95Å; I458-K479 HydrophobicContact CG1-CD 4.07Å; I458-A493 HydrophobicContact CG2-CB 4.33Å; I458-D494 PolarHBondContact N-OD2 3.29Å; I458-D494 PolarHBondContact O-N 3.27Å; I458-C495 PolarHBondContact O-N 3.29Å
459F93.6Very high88.4Confident0 Ų054.4 Ų54.40%031%0.309CS..EExtended strand (participates in β ladder)trans-111132.1-179.4-61.5-93.1000110.9I455 F461 V475 V476 C495 I497 L531 L535I455-F459 HydrophobicContact CG2-CE2 3.54Å; I455-F459 HydrophobicContact CG2-CZ 3.76Å; F459-F461 HydrophobicContact CB-CD2 4.27Å; F459-F461 HydrophobicContact CB-CE2 3.48Å; F459-F461 VanDerWaalsContact CB-CE2 3.48Å; F459-F461 HydrophobicContact CB-CZ 3.87Å; F459-F461 HydrophobicContact CG-CE2 4.47Å; F459-F461 HydrophobicContact CG-CZ 4.47Å; F459-V475 CarbonylContact O-C 3.59Å; F459-V475 VanDerWaalsContact O-CA 3.25Å; F459-V475 WeakPolarHBondContact O-CA 3.29Å; F459-V476 PolarHBondContact N-O 3.36Å; F459-V476 PolarHBondContact O-N 3.11Å; F459-C495 CarbonylContact C-O 3.53Å; F459-C495 VanDerWaalsContact CA-O 3.3Å; F459-C495 WeakPolarHBondContact CA-O 3.42Å; F459-C495 HydrophobicContact CD1-CB 3.89Å; F459-C495 HydrophobicContact CE1-CB 4.1Å; F459-I497 HydrophobicContact CD1-CD1 4.21Å; F459-L531 HydrophobicContact CE1-CB 4.01Å; F459-L531 VanDerWaalsContact CE1-O 3.32Å; F459-L531 WeakPolarHBondContact CE1-O 2.66Å; F459-L531 HydrophobicContact CZ-CB 3.96Å; F459-L531 WeakPolarHBondContact CZ-O 3.34Å; F459-L535 HydrophobicContact CD1-CD1 4.44Å
460A93.4Very high88.2Confident8 Ų855.5 Ų55.57%0.06631%0.312CS..EExtended strand (participates in β ladder)trans-102.7133.1165.500000109.9W474 V475 A493 C495 T496 I497A460-W474 CarbonylContact C-O 3.57Å; A460-W474 WeakPolarHBondContact CA-O 3.37Å; A460-V475 HydrophobicContact CB-CG2 4.3Å; A460-A493 HydrophobicContact CB-CB 3.53Å; A460-C495 PolarHBondContact N-O 2.83Å; A460-T496 HydrophobicContact CB-CG2 4.13Å; A460-T496 CarbonylContact O-C 3.48Å; A460-T496 VanDerWaalsContact O-CA 3.23Å; A460-T496 WeakPolarHBondContact O-CA 3.37Å; A460-I497 PolarHBondContact O-N 2.94Å
461F94.1Very high88.2Confident1 Ų154.5 Ų54.50%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-115.1107.6177.5-62.4-94.4000108.6F437 F459 T473 W474 V476 I497 F504 L535F437-F461 HydrophobicContact CE1-CB 4.29Å; F437-F461 AromaticContact CE1-CD2 3.64Å; F437-F461 HydrophobicContact CE1-CD2 3.64Å; F437-F461 HydrophobicContact CE1-CE2 4.04Å; F437-F461 AromaticContact CE1-CG 3.92Å; F437-F461 HydrophobicContact CE1-CG 3.92Å; F437-F461 HydrophobicContact CE2-CB 4.44Å; F437-F461 HydrophobicContact CZ-CB 3.55Å; F437-F461 HydrophobicContact CZ-CD1 4.2Å; F437-F461 AromaticContact CZ-CD2 3.8Å; F437-F461 HydrophobicContact CZ-CD2 3.8Å; F437-F461 AromaticContact CZ-CG 3.59Å; F437-F461 HydrophobicContact CZ-CG 3.59Å; F459-F461 HydrophobicContact CB-CD2 4.27Å; F459-F461 HydrophobicContact CB-CE2 3.48Å; F459-F461 VanDerWaalsContact CB-CE2 3.48Å; F459-F461 HydrophobicContact CB-CZ 3.87Å; F459-F461 HydrophobicContact CG-CE2 4.47Å; F459-F461 HydrophobicContact CG-CZ 4.47Å; F461-T473 CarbonylContact O-C 3.57Å; F461-T473 VanDerWaalsContact O-CA 3.23Å; F461-T473 WeakPolarHBondContact O-CA 3.16Å; F461-W474 PolarHBondContact N-O 2.87Å; F461-W474 PolarHBondContact O-N 3.08Å; F461-V476 HydrophobicContact CD2-CG2 3.89Å; F461-V476 HydrophobicContact CE2-CB 3.91Å; F461-V476 HydrophobicContact CE2-CG2 3.45Å; F461-V476 VanDerWaalsContact CE2-CG2 3.45Å; F461-V476 HydrophobicContact CZ-CG2 4.45Å; F461-I497 CarbonylContact C-O 3.58Å; F461-I497 WeakPolarHBondContact CA-O 3.46Å; F461-I497 HydrophobicContact CD1-CB 3.96Å; F461-I497 HydrophobicContact CD1-CD1 3.98Å; F461-I497 HydrophobicContact CD1-CG2 4.07Å; F461-I497 HydrophobicContact CE1-CB 4.31Å; F461-I497 HydrophobicContact CE1-CD1 3.44Å; F461-I497 VanDerWaalsContact CE1-CD1 3.44Å; F461-I497 HydrophobicContact CE1-CG1 4.49Å; F461-I497 HydrophobicContact CE1-CG2 4.45Å; F461-I497 HydrophobicContact CZ-CD1 3.98Å; F461-F504 HydrophobicContact CD1-CD2 4.35Å; F461-F504 AromaticContact CD1-CE2 3.43Å; F461-F504 HydrophobicContact CD1-CE2 3.43Å; F461-F504 VanDerWaalsContact CD1-CE2 3.43Å; F461-F504 AromaticContact CD1-CZ 3.92Å; F461-F504 HydrophobicContact CD1-CZ 3.92Å; F461-F504 AromaticContact CE1-CE2 3.77Å; F461-F504 HydrophobicContact CE1-CE2 3.77Å; F461-F504 HydrophobicContact CE1-CZ 4.24Å; F461-F504 HydrophobicContact CG-CE2 4.32Å; F461-F504 HydrophobicContact CG-CZ 4.45Å; F461-L535 HydrophobicContact CE1-CD1 3.7Å; F461-L535 HydrophobicContact CE1-CD2 4.41Å; F461-L535 HydrophobicContact CZ-CD1 3.45Å; F461-L535 VanDerWaalsContact CZ-CD1 3.45Å
462K93.4Very high88.3Confident97 Ų9753.7 Ų53.742%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-92.599.5174.5-64.4-172.9176.1-171.90108.4T473 T496 I497 T498 M499K462-T473 HydrophobicContact CG-CG2 4.26Å; K462-T496 HydrophobicContact CD-CG2 3.95Å; K462-T496 HydrophobicContact CG-CG2 3.98Å; K462-I497 PolarHBondContact N-O 3.23Å; K462-T498 HydrophobicContact CB-CG2 4.2Å; K462-T498 VanDerWaalsContact O-CA 3.31Å; K462-T498 WeakPolarHBondContact O-CA 3.18Å; K462-M499 PolarHBondContact O-N 3.32Å
463V92.9Very high88.5Confident2 Ų254.4 Ų54.41%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-94.7126.7-178.3-170.20000109.3F431 A433 F437 E471 A472 W474 M499 D501 F504F431-V463 HydrophobicContact CD1-CB 4.42Å; F431-V463 HydrophobicContact CD1-CG1 4.04Å; F431-V463 HydrophobicContact CE1-CB 4.42Å; F431-V463 HydrophobicContact CE1-CG1 4.26Å; A433-V463 HydrophobicContact CB-CG1 4.17Å; A433-V463 HydrophobicContact CB-CG2 4.03Å; F437-V463 HydrophobicContact CE2-CG2 4.4Å; V463-E471 WeakPolarHBondContact O-CA 3.33Å; V463-A472 PolarHBondContact N-O 3.35Å; V463-A472 PolarHBondContact O-N 2.58Å; V463-W474 HydrophobicContact CB-CE3 4.38Å; V463-W474 HydrophobicContact CB-CZ3 3.73Å; V463-W474 HydrophobicContact CG2-CE3 3.76Å; V463-W474 HydrophobicContact CG2-CZ3 3.58Å; V463-M499 CarbonylContact C-O 3.57Å; V463-M499 WeakPolarHBondContact CA-O 3.45Å; V463-D501 HydrophobicContact CG1-CB 3.69Å; V463-F504 HydrophobicContact CG2-CD1 4.42Å; V463-F504 HydrophobicContact CG2-CG 4.49Å
464K91.8Very high88.7Confident71 Ų7146.3 Ų46.331%0.30927%0.273SS..EExtended strand (participates in β ladder)trans-111.2169.3-176.9-56.9-173.3165.6-117.50111.1G466 E471 T498 M499 A500 D501K464-G466 VanDerWaalsContact C-N 3.28Å; K464-G466 PolarHBondContact O-N 3.48Å; K464-E471 HydrophobicContact CB-CG 4.24Å; K464-E471 WeakPolarHBondContact CD-OE1 3.33Å; K464-E471 WeakPolarHBondContact CE-OE1 3.4Å; K464-E471 HydrophobicContact CG-CG 4.02Å; K464-E471 VanDerWaalsContact NZ-CD 3.35Å; K464-E471 IonicContact NZ-OE1 3.6Å; K464-E471 PolarHBondContact NZ-OE1 2.92Å; K464-E471 IonicContact NZ-OE2 3.81Å; K464-E471 PolarHBondContact NZ-OE2 2.95Å; K464-T498 HydrophobicContact CD-CG2 3.85Å; K464-T498 VanDerWaalsContact CE-CG2 3.45Å; K464-T498 HydrophobicContact CG-CG2 4.27Å; K464-M499 PolarHBondContact N-O 3.39Å; K464-A500 CarbonylContact O-C 3.55Å; K464-A500 WeakPolarHBondContact O-CA 3.41Å; K464-D501 PolarHBondContact O-N 3.32Å
465D88.8Confident89.1Confident120 Ų12040.5 Ų40.564%0.64225%0.248SC*.SBendtrans5737.5176.1-51.7-41.2000114A500D465-A500 HydrophobicContact CB-CB 4.28Å
466G83.9Confident89.3Confident9 Ų940.4 Ų40.49%0.09325%0.248CC..  trans-76.3-170.6173.900000113.6F431 K464 G468 G469 K470F431-G466 VanDerWaalsContact CE1-CA 3.46Å; K464-G466 VanDerWaalsContact C-N 3.28Å; K464-G466 PolarHBondContact O-N 3.48Å; G466-G468 PolarHBondContact O-N 2.89Å; G466-G468 VanDerWaalsContact O-N 3.17Å; G466-G469 WeakPolarHBondContact O-CA 3.45Å; G466-G469 PolarHBondContact O-N 3.18Å; G466-K470 PolarHBondContact N-O 3.46Å
467P76.2Confident89.4Confident54 Ų5438.9 Ų38.935%0.35123%0.231SC..G310 helixtrans-52.5122.3179.5-2330.1000112.5G430 G469 K470G430-P467 WeakPolarHBondContact O-CG 3.29Å; P467-G469 VanDerWaalsContact C-N 3.3Å; P467-G469 PolarHBondContact O-N 2.91Å; P467-K470 WeakPolarHBondContact O-CG 3.32Å
468G78.9Confident89.4Confident86 Ų8638.9 Ų38.989%0.88723%0.231SC*.G310 helixtrans69.921.7-176.700000114.7G466 K470G466-G468 PolarHBondContact O-N 2.89Å; G466-G468 VanDerWaalsContact O-N 3.17Å; G468-K470 VanDerWaalsContact C-N 3.33Å
469G81.7Confident89.3Confident56 Ų5642.6 Ų42.658%0.57725%0.247SC*.G310 helixtrans77.515.3178.900000114.4G466 P467G466-G469 WeakPolarHBondContact O-CA 3.45Å; G466-G469 PolarHBondContact O-N 3.18Å; P467-G469 VanDerWaalsContact C-N 3.3Å; P467-G469 PolarHBondContact O-N 2.91Å
470K86Confident88.9Confident132 Ų13246.7 Ų46.757%0.57427%0.269SS*.  trans-73.6155-178.1-65.9-178.6-179.7-178.40111.9F431 G466 P467 G468F431-K470 HydrophobicContact CE2-CB 4.19Å; F431-K470 HydrophobicContact CZ-CB 4.01Å; F431-K470 VanDerWaalsContact CZ-O 3.29Å; F431-K470 WeakPolarHBondContact CZ-O 3.47Å; G466-K470 PolarHBondContact N-O 3.46Å; P467-K470 WeakPolarHBondContact O-CG 3.32Å; G468-K470 VanDerWaalsContact C-N 3.33Å
471E88.8Confident88.6Confident114 Ų11449.4 Ų49.453%0.53330%0.298SS..  trans-111145.8168.2-56.7-166.4172.300109.8V463 K464V463-E471 WeakPolarHBondContact O-CA 3.33Å; K464-E471 HydrophobicContact CB-CG 4.24Å; K464-E471 WeakPolarHBondContact CD-OE1 3.33Å; K464-E471 WeakPolarHBondContact CE-OE1 3.4Å; K464-E471 HydrophobicContact CG-CG 4.02Å; K464-E471 VanDerWaalsContact NZ-CD 3.35Å; K464-E471 IonicContact NZ-OE1 3.6Å; K464-E471 PolarHBondContact NZ-OE1 2.92Å; K464-E471 IonicContact NZ-OE2 3.81Å; K464-E471 PolarHBondContact NZ-OE2 2.95Å
472A88.9Confident88.3Confident4 Ų455.2 Ų55.23%0.03332%0.323CS..EExtended strand (participates in β ladder)trans-143.8155.1176.900000110.7F431 V463 W474F431-A472 HydrophobicContact CD2-CB 4.31Å; F431-A472 HydrophobicContact CE1-CB 3.99Å; F431-A472 HydrophobicContact CE2-CB 3.79Å; F431-A472 HydrophobicContact CZ-CB 3.6Å; V463-A472 PolarHBondContact N-O 3.35Å; V463-A472 PolarHBondContact O-N 2.58Å; A472-W474 HydrophobicContact CB-CE3 4.36Å; A472-W474 HydrophobicContact CB-CH2 3.35Å; A472-W474 HydrophobicContact CB-CZ2 4.26Å; A472-W474 HydrophobicContact CB-CZ3 3.39Å; A472-W474 WeakPolarHBondContact O-CZ3 3.47Å
473T90.8Very high88.1Confident39 Ų3951.5 Ų51.524%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-122.7139-178.4-58.90000111.1F461 K462 N488F461-T473 CarbonylContact O-C 3.57Å; F461-T473 VanDerWaalsContact O-CA 3.23Å; F461-T473 WeakPolarHBondContact O-CA 3.16Å; K462-T473 HydrophobicContact CG-CG2 4.26Å; T473-N488 PolarHBondContact N-OD1 3.23Å; T473-N488 WeakPolarHBondContact O-CA 3.33Å; T473-N488 PolarHBondContact O-N 2.75Å; T473-N488 PolarHBondContact O-OD1 2.95Å
474W93.1Very high88Confident7 Ų753.4 Ų53.43%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-123138.8169.6-68.7-103.8000109.5F431 A433 N434 F437 A460 F461 V463 A472F431-W474 HydrophobicContact CB-CH2 3.94Å; F431-W474 HydrophobicContact CB-CZ2 4.38Å; F431-W474 AromaticContact CD1-CH2 3.94Å; F431-W474 HydrophobicContact CD1-CH2 3.94Å; F431-W474 HydrophobicContact CD1-CZ3 4.45Å; F431-W474 HydrophobicContact CD2-CH2 4.29Å; F431-W474 HydrophobicContact CE1-CH2 4.5Å; F431-W474 AromaticContact CG-CH2 3.81Å; F431-W474 HydrophobicContact CG-CH2 3.81Å; A433-W474 HydrophobicContact CB-CH2 4.37Å; A433-W474 HydrophobicContact CB-CZ3 4.46Å; N434-W474 VanDerWaalsContact OD1-CZ2 3.25Å; N434-W474 WeakPolarHBondContact OD1-CZ2 3.27Å; F437-W474 HydrophobicContact CD1-CB 4Å; F437-W474 HydrophobicContact CD1-CG 4.18Å; F437-W474 HydrophobicContact CD2-CB 3.93Å; F437-W474 AromaticContact CD2-CD1 3.46Å; F437-W474 VanDerWaalsContact CD2-CD1 3.46Å; F437-W474 AromaticContact CD2-CD2 3.45Å; F437-W474 HydrophobicContact CD2-CD2 3.45Å; F437-W474 VanDerWaalsContact CD2-CD2 3.45Å; F437-W474 AromaticContact CD2-CE2 3.68Å; F437-W474 HydrophobicContact CD2-CE3 4.11Å; F437-W474 AromaticContact CD2-CG 3.34Å; F437-W474 HydrophobicContact CD2-CG 3.34Å; F437-W474 HydrophobicContact CD2-CZ2 4.48Å; F437-W474 AromaticContact CD2-NE1 3.64Å; F437-W474 HydrophobicContact CE1-CB 3.76Å; F437-W474 HydrophobicContact CE1-CG 4.25Å; F437-W474 HydrophobicContact CE2-CB 3.67Å; F437-W474 AromaticContact CE2-CD2 3.38Å; F437-W474 HydrophobicContact CE2-CD2 3.38Å; F437-W474 AromaticContact CE2-CE3 3.6Å; F437-W474 HydrophobicContact CE2-CE3 3.6Å; F437-W474 AromaticContact CE2-CG 3.42Å; F437-W474 HydrophobicContact CE2-CG 3.42Å; F437-W474 VanDerWaalsContact CE2-CG 3.42Å; F437-W474 HydrophobicContact CE2-CZ3 4.42Å; F437-W474 HydrophobicContact CG-CB 4.12Å; F437-W474 AromaticContact CG-CD1 3.62Å; F437-W474 HydrophobicContact CG-CD2 4.34Å; F437-W474 AromaticContact CG-CG 3.77Å; F437-W474 HydrophobicContact CG-CG 3.77Å; F437-W474 HydrophobicContact CZ-CB 3.61Å; F437-W474 HydrophobicContact CZ-CD2 4.23Å; F437-W474 HydrophobicContact CZ-CE3 4.4Å; F437-W474 AromaticContact CZ-CG 3.92Å; F437-W474 HydrophobicContact CZ-CG 3.92Å; A460-W474 CarbonylContact C-O 3.57Å; A460-W474 WeakPolarHBondContact CA-O 3.37Å; F461-W474 PolarHBondContact N-O 2.87Å; F461-W474 PolarHBondContact O-N 3.08Å; V463-W474 HydrophobicContact CB-CE3 4.38Å; V463-W474 HydrophobicContact CB-CZ3 3.73Å; V463-W474 HydrophobicContact CG2-CE3 3.76Å; V463-W474 HydrophobicContact CG2-CZ3 3.58Å; A472-W474 HydrophobicContact CB-CE3 4.36Å; A472-W474 HydrophobicContact CB-CH2 3.35Å; A472-W474 HydrophobicContact CB-CZ2 4.26Å; A472-W474 HydrophobicContact CB-CZ3 3.39Å; A472-W474 WeakPolarHBondContact O-CZ3 3.47Å
475V93.3Very high87.9Confident1 Ų150.5 Ų50.51%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-109.8118.9172.51790000109I458 F459 A460 V485 L486 S489 K491I458-V475 HydrophobicContact CG2-CG1 3.45Å; I458-V475 VanDerWaalsContact CG2-CG1 3.45Å; F459-V475 CarbonylContact O-C 3.59Å; F459-V475 VanDerWaalsContact O-CA 3.25Å; F459-V475 WeakPolarHBondContact O-CA 3.29Å; A460-V475 HydrophobicContact CB-CG2 4.3Å; V475-V485 CarbonylContact O-C 3.52Å; V475-L486 HydrophobicContact CB-CB 4.35Å; V475-L486 PolarHBondContact N-O 3.45Å; V475-L486 PolarHBondContact O-N 3.1Å; V475-S489 WeakPolarHBondContact CG2-O 3.49Å; V475-K491 HydrophobicContact CG1-CB 4.24Å; V475-K491 HydrophobicContact CG1-CD 4.48Å
476V92.8Very high87.9Confident0 Ų047.4 Ų47.40%030%0.297CS..EExtended strand (participates in β ladder)trans-101.5108.3173.3-173.70000107.9F437 I440 L444 F459 F461 V478 S484 V485 L538F437-V476 HydrophobicContact CD1-CG2 3.93Å; F437-V476 HydrophobicContact CE1-CG2 3.74Å; I440-V476 HydrophobicContact CG2-CG1 3.93Å; L444-V476 HydrophobicContact CD1-CG1 3.98Å; F459-V476 PolarHBondContact N-O 3.36Å; F459-V476 PolarHBondContact O-N 3.11Å; F461-V476 HydrophobicContact CD2-CG2 3.89Å; F461-V476 HydrophobicContact CE2-CB 3.91Å; F461-V476 HydrophobicContact CE2-CG2 3.45Å; F461-V476 VanDerWaalsContact CE2-CG2 3.45Å; F461-V476 HydrophobicContact CZ-CG2 4.45Å; V476-V478 HydrophobicContact CG1-CG2 3.58Å; V476-S484 CarbonylContact C-O 3.47Å; V476-S484 WeakPolarHBondContact CA-O 3.42Å; V476-V485 HydrophobicContact CG1-CG2 4.32Å; V476-V485 HydrophobicContact CG2-CG1 4.32Å; V476-V485 HydrophobicContact CG2-CG2 4.24Å; V476-L538 HydrophobicContact CG1-CD1 4.46Å
477D91.9Very high87.8Confident2 Ų249.6 Ų49.61%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-86.5112.2172.7-175.2-18.6000108.8I458 K479 N480 G483 S484 K491I458-D477 HydrophobicContact CG1-CB 4.34Å; D477-K479 WeakPolarHBondContact OD1-CA 3.46Å; D477-K479 WeakPolarHBondContact OD1-CB 3.5Å; D477-K479 PolarHBondContact OD1-N 2.7Å; D477-N480 PolarHBondContact OD1-N 3.28Å; D477-N480 PolarHBondContact OD1-ND2 2.87Å; D477-N480 PolarHBondContact OD2-ND2 3.25Å; D477-G483 CarbonylContact O-C 3.46Å; D477-G483 WeakPolarHBondContact O-CA 3.46Å; D477-S484 PolarHBondContact N-O 3.48Å; D477-S484 PolarHBondContact O-N 3.32Å; D477-K491 VanDerWaalsContact OD2-CE 3.26Å; D477-K491 WeakPolarHBondContact OD2-CE 3.31Å; D477-K491 IonicContact OD2-NZ 3.31Å; D477-K491 PolarHBondContact OD2-NZ 3.4Å
478V90.7Very high88Confident0 Ų049.9 Ų49.90%031%0.308CS..EExtended strand (participates in β ladder)trans-12240.2172.5-156.70000109.4L444 F451 V452 I455 G456 G457 V476 L538L444-V478 HydrophobicContact CD2-CG1 4.07Å; L444-V478 HydrophobicContact CD2-CG2 4.36Å; F451-V478 VanDerWaalsContact C-CG1 3.47Å; F451-V478 HydrophobicContact CB-CG1 3.68Å; F451-V478 WeakPolarHBondContact O-CG1 3.43Å; V452-V478 WeakPolarHBondContact CA-O 3.49Å; V452-V478 HydrophobicContact CG2-CG1 4.15Å; I455-V478 HydrophobicContact CB-CB 4.46Å; I455-V478 HydrophobicContact CB-CG1 4.18Å; I455-V478 HydrophobicContact CD1-CG1 4.26Å; G456-V478 VanDerWaalsContact CA-O 3.3Å; G456-V478 WeakPolarHBondContact CA-O 3.41Å; G456-V478 PolarHBondContact N-O 2.98Å; G457-V478 PolarHBondContact N-O 3.31Å; G457-V478 VanDerWaalsContact N-O 3.11Å; G457-V478 CarbonylContact O-C 3.46Å; G457-V478 WeakPolarHBondContact O-CA 3.23Å; G457-V478 PolarHBondContact O-N 2.79Å; V476-V478 HydrophobicContact CG1-CG2 3.58Å; V478-L538 HydrophobicContact CG2-CD1 4.05Å
479K89.4Confident87.9Confident91 Ų9147.6 Ų47.640%0.39628%0.278SS..SBendtrans-125.7-33.4-178-170.5176.8-172.2169.10111.9V452 I458 D477 D494V452-K479 WeakPolarHBondContact CG1-O 3.38Å; I458-K479 HydrophobicContact CD1-CD 4.22Å; I458-K479 HydrophobicContact CG1-CB 3.95Å; I458-K479 HydrophobicContact CG1-CD 4.07Å; D477-K479 WeakPolarHBondContact OD1-CA 3.46Å; D477-K479 WeakPolarHBondContact OD1-CB 3.5Å; D477-K479 PolarHBondContact OD1-N 2.7Å; K479-D494 IonicContact NZ-OD1 3.97Å; K479-D494 PolarHBondContact NZ-OD1 3.22Å; K479-D494 IonicContact NZ-OD2 3.22Å; K479-D494 PolarHBondContact NZ-OD2 3.29Å
480N85.3Confident87.7Confident86 Ų8652.9 Ų52.946%0.4629%0.293SS..SBendtrans-117.3142-173.9-55.2-67.5000112.4D477 K482 G483D477-N480 PolarHBondContact OD1-N 3.28Å; D477-N480 PolarHBondContact OD1-ND2 2.87Å; D477-N480 PolarHBondContact OD2-ND2 3.25Å; N480-K482 PolarHBondContact O-N 3.13Å; N480-G483 WeakPolarHBondContact O-CA 3.48Å; N480-G483 PolarHBondContact O-N 3.12Å
481G88.6Confident87.4Confident66 Ų6650.1 Ų50.168%0.6828%0.281SS*.THydrogen-bonded Turntrans58.5-131.317600000112.8G483G481-G483 VanDerWaalsContact C-N 3.3Å
482K87.3Confident87.3Confident123 Ų12353.6 Ų53.654%0.53530%0.295SS..THydrogen-bonded Turntrans-906.8170.6-60.7-170.5174.2-175.70112.8G448 E449 N480G448-K482 CarbonylContact C-O 3.33Å; G448-K482 WeakPolarHBondContact CA-O 3.25Å; E449-K482 HydrophobicContact CG-CG 3.95Å; E449-K482 WeakPolarHBondContact OE1-CE 3.43Å; N480-K482 PolarHBondContact O-N 3.13Å
483G89.1Confident87.3Confident18 Ų1854.6 Ų54.619%0.18630%0.303CS..  trans77.8164.5-169.500000113D477 N480 G481D477-G483 CarbonylContact O-C 3.46Å; D477-G483 WeakPolarHBondContact O-CA 3.46Å; N480-G483 WeakPolarHBondContact O-CA 3.48Å; N480-G483 PolarHBondContact O-N 3.12Å; G481-G483 VanDerWaalsContact C-N 3.3Å
484S90.9Very high87.3Confident43 Ų4355.2 Ų55.230%0.30131%0.305SS..EExtended strand (participates in β ladder)trans-158.5157.6-178.5530000111.5V476 D477V476-S484 CarbonylContact C-O 3.47Å; V476-S484 WeakPolarHBondContact CA-O 3.42Å; D477-S484 PolarHBondContact N-O 3.48Å; D477-S484 PolarHBondContact O-N 3.32Å
485V90.1Very high87.3Confident10 Ų1054.9 Ų54.96%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-112.1126.4168.7-175.80000108.4F437 I440 E441 L444 V475 V476F437-V485 HydrophobicContact CB-CG1 4.05Å; F437-V485 HydrophobicContact CD1-CG1 4Å; F437-V485 HydrophobicContact CG-CG1 4.3Å; I440-V485 HydrophobicContact CB-CG2 4.34Å; I440-V485 HydrophobicContact CG2-CG2 3.84Å; E441-V485 HydrophobicContact CB-CB 4.24Å; E441-V485 HydrophobicContact CB-CG2 3.86Å; L444-V485 HydrophobicContact CD1-CG2 4.12Å; V475-V485 CarbonylContact O-C 3.52Å; V476-V485 HydrophobicContact CG1-CG2 4.32Å; V476-V485 HydrophobicContact CG2-CG1 4.32Å; V476-V485 HydrophobicContact CG2-CG2 4.24Å
486L87.9Confident87.2Confident55 Ų5556 Ų5629%0.28831%0.311SS..EExtended strand (participates in β ladder)trans-122.7104.9-175.4-58.4173000109.2V475 K491V475-L486 HydrophobicContact CB-CB 4.35Å; V475-L486 PolarHBondContact N-O 3.45Å; V475-L486 PolarHBondContact O-N 3.1Å; L486-K491 HydrophobicContact CD1-CD 3.84Å
487P82.9Confident87.2Confident54 Ų5456.1 Ų56.135%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-68.6139.3174.328.1-32.2000110.7S489P487-S489 PolarHBondContact O-N 2.88Å; P487-S489 VanDerWaalsContact O-N 3.16Å
488N78.8Confident87.3Confident61 Ų6157.4 Ų57.433%0.32632%0.319SS..THydrogen-bonded Turntrans48.938.8176.8-59.3-44.9000114.7T473T473-N488 PolarHBondContact N-OD1 3.23Å; T473-N488 WeakPolarHBondContact O-CA 3.33Å; T473-N488 PolarHBondContact O-N 2.75Å; T473-N488 PolarHBondContact O-OD1 2.95Å
489S77.8Confident87.5Confident37 Ų3757.7 Ų57.726%0.25932%0.321SS..  trans-90.1138.5179.2-174.70000112.3V475 P487 K491V475-S489 WeakPolarHBondContact CG2-O 3.49Å; P487-S489 PolarHBondContact O-N 2.88Å; P487-S489 VanDerWaalsContact O-N 3.16Å; S489-K491 PolarHBondContact O-N 3.37Å; S489-K491 WeakPolarHBondContact OG-CB 3.29Å; S489-K491 PolarHBondContact OG-N 3.31Å
490D76.9Confident87.7Confident168 Ų16854.2 Ų54.290%0.89831%0.308SS*.  trans-82.810.5171.9-65.3-39.5000113.3K492D490-K492 PolarHBondContact O-N 3.44Å
491K80.6Confident88.1Confident74 Ų7450.5 Ų50.532%0.32229%0.289SS..  trans-59.3127.6179.8-173.3171.3-174.6170.60110.3V475 D477 L486 S489 A493V475-K491 HydrophobicContact CG1-CB 4.24Å; V475-K491 HydrophobicContact CG1-CD 4.48Å; D477-K491 VanDerWaalsContact OD2-CE 3.26Å; D477-K491 WeakPolarHBondContact OD2-CE 3.31Å; D477-K491 IonicContact OD2-NZ 3.31Å; D477-K491 PolarHBondContact OD2-NZ 3.4Å; L486-K491 HydrophobicContact CD1-CD 3.84Å; S489-K491 PolarHBondContact O-N 3.37Å; S489-K491 WeakPolarHBondContact OG-CB 3.29Å; S489-K491 PolarHBondContact OG-N 3.31Å; K491-A493 PolarHBondContact O-N 3.47Å; K491-A493 VanDerWaalsContact O-N 3.11Å
492K85.9Confident88.1Confident186 Ų18650.5 Ų50.581%0.80928%0.278SS*.  trans-60.6114.9-177.2-171.3178.4-178.5179.70110.5D490D490-K492 PolarHBondContact O-N 3.44Å
493A89.7Confident88.3Confident26 Ų2646.1 Ų46.122%0.21526%0.261CS..  trans-88.1144.2178.500000112.2I458 A460 K491 C495I458-A493 HydrophobicContact CG2-CB 4.33Å; A460-A493 HydrophobicContact CB-CB 3.53Å; K491-A493 PolarHBondContact O-N 3.47Å; K491-A493 VanDerWaalsContact O-N 3.11Å; A493-C495 VanDerWaalsContact C-N 3.34Å
494D90.9Very high88.4Confident51 Ų5145.4 Ų45.427%0.27325%0.252SS..SBendtrans-77.3-26.4172.4-60.1-59.3000111I458 K479 N528 L531I458-D494 PolarHBondContact N-OD2 3.29Å; I458-D494 PolarHBondContact O-N 3.27Å; K479-D494 IonicContact NZ-OD1 3.97Å; K479-D494 PolarHBondContact NZ-OD1 3.22Å; K479-D494 IonicContact NZ-OD2 3.22Å; K479-D494 PolarHBondContact NZ-OD2 3.29Å; D494-N528 WeakPolarHBondContact O-CB 3.39Å; D494-N528 PolarHBondContact O-N 2.71Å; D494-L531 HydrophobicContact CB-CD1 3.43Å; D494-L531 VanDerWaalsContact CB-CD1 3.43Å
495C91.9Very high88.2Confident0 Ų045.6 Ų45.60%025%0.25CS..EExtended strand (participates in β ladder)trans-143.8135.4177.1179.30000110.2I458 F459 A460 A493 L531I458-C495 PolarHBondContact O-N 3.29Å; F459-C495 CarbonylContact C-O 3.53Å; F459-C495 VanDerWaalsContact CA-O 3.3Å; F459-C495 WeakPolarHBondContact CA-O 3.42Å; F459-C495 HydrophobicContact CD1-CB 3.89Å; F459-C495 HydrophobicContact CE1-CB 4.1Å; A460-C495 PolarHBondContact N-O 2.83Å; A493-C495 VanDerWaalsContact C-N 3.34Å; C495-L531 HydrophobicContact CB-CB 4.38Å
496T92.5Very high88Confident25 Ų2546.2 Ų46.215%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-116.2132.6173.8-56.60000110.3A460 K462 I525 T526A460-T496 HydrophobicContact CB-CG2 4.13Å; A460-T496 CarbonylContact O-C 3.48Å; A460-T496 VanDerWaalsContact O-CA 3.23Å; A460-T496 WeakPolarHBondContact O-CA 3.37Å; K462-T496 HydrophobicContact CD-CG2 3.95Å; K462-T496 HydrophobicContact CG-CG2 3.98Å; T496-I525 WeakPolarHBondContact O-CA 3.4Å; T496-T526 WeakPolarHBondContact CB-OG1 3.5Å; T496-T526 PolarHBondContact N-O 3.45Å; T496-T526 PolarHBondContact O-N 2.8Å
497I92.7Very high88Confident3 Ų343.7 Ų43.72%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-115.8128.9179.3-68.7154.2000107.9F459 A460 F461 K462 M499 L523 K524 L535F459-I497 HydrophobicContact CD1-CD1 4.21Å; A460-I497 PolarHBondContact O-N 2.94Å; F461-I497 CarbonylContact C-O 3.58Å; F461-I497 WeakPolarHBondContact CA-O 3.46Å; F461-I497 HydrophobicContact CD1-CB 3.96Å; F461-I497 HydrophobicContact CD1-CD1 3.98Å; F461-I497 HydrophobicContact CD1-CG2 4.07Å; F461-I497 HydrophobicContact CE1-CB 4.31Å; F461-I497 HydrophobicContact CE1-CD1 3.44Å; F461-I497 VanDerWaalsContact CE1-CD1 3.44Å; F461-I497 HydrophobicContact CE1-CG1 4.49Å; F461-I497 HydrophobicContact CE1-CG2 4.45Å; F461-I497 HydrophobicContact CZ-CD1 3.98Å; K462-I497 PolarHBondContact N-O 3.23Å; I497-M499 HydrophobicContact CG2-CG 4.13Å; I497-M499 HydrophobicContact CG2-SD 4.41Å; I497-L523 HydrophobicContact CG2-CD1 3.52Å; I497-K524 CarbonylContact C-O 3.48Å; I497-K524 WeakPolarHBondContact CA-O 3.23Å; I497-L535 HydrophobicContact CD1-CD1 3.9Å; I497-L535 HydrophobicContact CD1-CD2 3.48Å; I497-L535 VanDerWaalsContact CD1-CD2 3.48Å; I497-L535 HydrophobicContact CD1-CG 4.22Å
498T94.3Very high88.1Confident28 Ų2841.1 Ų41.117%0.17223%0.226CC..EExtended strand (participates in β ladder)trans-123.3125.6178.8-54.90000109.9K462 K464 K524K462-T498 HydrophobicContact CB-CG2 4.2Å; K462-T498 VanDerWaalsContact O-CA 3.31Å; K462-T498 WeakPolarHBondContact O-CA 3.18Å; K464-T498 HydrophobicContact CD-CG2 3.85Å; K464-T498 VanDerWaalsContact CE-CG2 3.45Å; K464-T498 HydrophobicContact CG-CG2 4.27Å; T498-K524 PolarHBondContact N-O 3.4Å; T498-K524 PolarHBondContact O-N 3.04Å
499M94.3Very high88.3Confident7 Ų739.7 Ų39.73%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-154.2160.9-176.6-65.1-167.178.700111.6K462 V463 K464 I497 D503 F504 L507 M512 K522 L523K462-M499 PolarHBondContact O-N 3.32Å; V463-M499 CarbonylContact C-O 3.57Å; V463-M499 WeakPolarHBondContact CA-O 3.45Å; K464-M499 PolarHBondContact N-O 3.39Å; I497-M499 HydrophobicContact CG2-CG 4.13Å; I497-M499 HydrophobicContact CG2-SD 4.41Å; M499-D503 HydrophobicContact CE-CB 3.77Å; M499-F504 HydrophobicContact CB-CB 4.3Å; M499-F504 HydrophobicContact SD-CD2 4.44Å; M499-L507 HydrophobicContact CE-CB 4.32Å; M499-L507 HydrophobicContact CE-CD2 4.22Å; M499-L507 HydrophobicContact SD-CB 4.4Å; M499-L507 HydrophobicContact SD-CD2 3.54Å; M499-L507 VanDerWaalsContact SD-CD2 3.54Å; M499-M512 HydrophobicContact CE-SD 4.24Å; M499-K522 WeakPolarHBondContact CG-O 3.31Å; M499-L523 HydrophobicContact CE-CB 4.07Å; M499-L523 HydrophobicContact CG-CB 4.36Å; M499-L523 HydrophobicContact CG-CD1 3.73Å; M499-L523 HydrophobicContact SD-CB 4.22Å; M499-L523 HydrophobicContact SD-CD1 3.63Å; M499-L523 HydrophobicContact SD-CG 4.43Å
500A94.3Very high88.5Confident17 Ų1740 Ų4014%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-71.8151.9166.800000111.8K464 D465 S502 D503 F504K464-A500 CarbonylContact O-C 3.55Å; K464-A500 WeakPolarHBondContact O-CA 3.41Å; D465-A500 HydrophobicContact CB-CB 4.28Å; A500-S502 VanDerWaalsContact C-N 3.33Å; A500-S502 PolarHBondContact O-N 2.96Å; A500-D503 HydrophobicContact CB-CB 4.42Å; A500-D503 PolarHBondContact O-N 3.26Å; A500-D503 VanDerWaalsContact O-N 3.11Å; A500-F504 WeakPolarHBondContact O-CB 3.48Å; A500-F504 PolarHBondContact O-N 3.24Å
501D92.1Very high88.7Confident9 Ų940.7 Ų40.75%0.04822%0.224CC..Hα-helixtrans-57.4-41.3-175.9-171.239.8000113F431 K432 A433 V463 K464 L505F431-D501 HydrophobicContact CD1-CB 4.21Å; K432-D501 WeakPolarHBondContact CB-OD2 3.31Å; K432-D501 PolarHBondContact N-OD1 3.25Å; K432-D501 VanDerWaalsContact N-OD1 3.17Å; K432-D501 PolarHBondContact N-OD2 3.32Å; A433-D501 VanDerWaalsContact CB-OD1 3.3Å; A433-D501 WeakPolarHBondContact CB-OD1 3.49Å; A433-D501 PolarHBondContact N-OD1 2.88Å; V463-D501 HydrophobicContact CG1-CB 3.69Å; K464-D501 PolarHBondContact O-N 3.32Å; D501-L505 PolarHBondContact O-N 2.72Å
502S88.5Confident88.8Confident66 Ų6638.8 Ų38.846%0.46222%0.216SC..Hα-helixtrans-68.4-39.6175.854.30000113.4A500 A506A500-S502 VanDerWaalsContact C-N 3.33Å; A500-S502 PolarHBondContact O-N 2.96Å; S502-A506 PolarHBondContact O-N 3.1Å; S502-A506 VanDerWaalsContact O-N 3.11Å
503D91.4Very high88.8Confident31 Ų3133.9 Ų33.917%0.16620%0.199CC..Hα-helixtrans-73.9-35-178.2-71.2-16.7000110.9M499 A500 A506 L507 M512M499-D503 HydrophobicContact CE-CB 3.77Å; A500-D503 HydrophobicContact CB-CB 4.42Å; A500-D503 PolarHBondContact O-N 3.26Å; A500-D503 VanDerWaalsContact O-N 3.11Å; D503-A506 PolarHBondContact O-N 3.31Å; D503-L507 WeakPolarHBondContact O-CB 3.5Å; D503-L507 PolarHBondContact O-N 3.34Å; D503-M512 HydrophobicContact CB-CE 4Å; D503-M512 HydrophobicContact CB-SD 4.32Å; D503-M512 WeakPolarHBondContact OD1-CE 3.34Å
504F92.1Very high88.6Confident2 Ų234.1 Ų34.11%0.00920%0.198CC..Hα-helixtrans-62-47173.8-178.4-109.3000111.5A433 V436 F437 F461 V463 M499 A500 A506 L507 M508A433-F504 HydrophobicContact CB-CD1 3.54Å; A433-F504 HydrophobicContact CB-CE1 3.85Å; V436-F504 HydrophobicContact CB-CE1 3.94Å; V436-F504 HydrophobicContact CG1-CE1 3.88Å; V436-F504 HydrophobicContact CG1-CZ 4.13Å; V436-F504 HydrophobicContact CG2-CE1 4.3Å; F437-F504 HydrophobicContact CD2-CE1 4.23Å; F437-F504 HydrophobicContact CE1-CE1 4.36Å; F437-F504 AromaticContact CE1-CZ 3.93Å; F437-F504 HydrophobicContact CE1-CZ 3.93Å; F437-F504 HydrophobicContact CE2-CD1 4.42Å; F437-F504 AromaticContact CE2-CE1 3.5Å; F437-F504 HydrophobicContact CE2-CE1 3.5Å; F437-F504 VanDerWaalsContact CE2-CE1 3.5Å; F437-F504 AromaticContact CE2-CZ 3.81Å; F437-F504 HydrophobicContact CE2-CZ 3.81Å; F437-F504 AromaticContact CZ-CE1 3.55Å; F437-F504 HydrophobicContact CZ-CE1 3.55Å; F437-F504 HydrophobicContact CZ-CE2 4.28Å; F437-F504 AromaticContact CZ-CZ 3.31Å; F437-F504 HydrophobicContact CZ-CZ 3.31Å; F461-F504 HydrophobicContact CD1-CD2 4.35Å; F461-F504 AromaticContact CD1-CE2 3.43Å; F461-F504 HydrophobicContact CD1-CE2 3.43Å; F461-F504 VanDerWaalsContact CD1-CE2 3.43Å; F461-F504 AromaticContact CD1-CZ 3.92Å; F461-F504 HydrophobicContact CD1-CZ 3.92Å; F461-F504 AromaticContact CE1-CE2 3.77Å; F461-F504 HydrophobicContact CE1-CE2 3.77Å; F461-F504 HydrophobicContact CE1-CZ 4.24Å; F461-F504 HydrophobicContact CG-CE2 4.32Å; F461-F504 HydrophobicContact CG-CZ 4.45Å; V463-F504 HydrophobicContact CG2-CD1 4.42Å; V463-F504 HydrophobicContact CG2-CG 4.49Å; M499-F504 HydrophobicContact CB-CB 4.3Å; M499-F504 HydrophobicContact SD-CD2 4.44Å; A500-F504 WeakPolarHBondContact O-CB 3.48Å; A500-F504 PolarHBondContact O-N 3.24Å; F504-A506 VanDerWaalsContact C-N 3.33Å; F504-A506 PolarHBondContact O-N 3.44Å; F504-L507 PolarHBondContact O-N 3.37Å; F504-M508 HydrophobicContact CD2-CG 4.08Å; F504-M508 HydrophobicContact CE1-CG 4.18Å; F504-M508 HydrophobicContact CE2-CG 3.65Å; F504-M508 HydrophobicContact CE2-SD 4.19Å; F504-M508 HydrophobicContact CZ-CG 3.72Å; F504-M508 HydrophobicContact CZ-SD 4.42Å; F504-M508 WeakPolarHBondContact O-CB 3.49Å; F504-M508 VanDerWaalsContact O-CG 3.28Å; F504-M508 WeakPolarHBondContact O-CG 3.33Å; F504-M508 PolarHBondContact O-N 3.36Å
505L87.2Confident88.2Confident48 Ų4837.8 Ų37.825%0.25121%0.213SC..Hα-helixtrans-59.4-44.2174.2-179.766.9000111.5K432 V436 D501 L507 M508 T509K432-L505 HydrophobicContact CB-CD2 4.18Å; K432-L505 HydrophobicContact CD-CD2 4.14Å; V436-L505 HydrophobicContact CG2-CD1 3.57Å; D501-L505 PolarHBondContact O-N 2.72Å; L505-L507 PolarHBondContact O-N 3.39Å; L505-M508 PolarHBondContact O-N 3.01Å; L505-T509 HydrophobicContact CD1-CG2 3.94Å; L505-T509 HydrophobicContact CG-CG2 4.41Å; L505-T509 WeakPolarHBondContact O-CB 3.44Å; L505-T509 VanDerWaalsContact O-CG2 3.31Å; L505-T509 WeakPolarHBondContact O-CG2 3.19Å; L505-T509 PolarHBondContact O-N 3.13Å; L505-T509 PolarHBondContact O-OG1 3.36Å
506A85.1Confident87.9Confident22 Ų2240.4 Ų40.418%0.18223%0.232CC..Hα-helixtrans-63.9-39.917900000112.3S502 D503 F504 T509 G510 K511 M512S502-A506 PolarHBondContact O-N 3.1Å; S502-A506 VanDerWaalsContact O-N 3.11Å; D503-A506 PolarHBondContact O-N 3.31Å; F504-A506 VanDerWaalsContact C-N 3.33Å; F504-A506 PolarHBondContact O-N 3.44Å; A506-T509 PolarHBondContact O-OG1 3.12Å; A506-G510 PolarHBondContact O-N 3.26Å; A506-K511 HydrophobicContact CB-CB 4.31Å; A506-K511 CarbonylContact O-C 3.53Å; A506-K511 WeakPolarHBondContact O-CA 3.49Å; A506-K511 PolarHBondContact O-N 3.22Å; A506-M512 HydrophobicContact CB-CB 3.95Å; A506-M512 HydrophobicContact CB-CE 4.22Å; A506-M512 PolarHBondContact O-N 3.49Å
507L87.6Confident87.6Confident2 Ų239.3 Ų39.31%0.0123%0.225CC..Hα-helixtrans-63.9-44.8175.9-174.274.6000111.5M499 D503 F504 L505 G510 P514 L523 Q539M499-L507 HydrophobicContact CE-CB 4.32Å; M499-L507 HydrophobicContact CE-CD2 4.22Å; M499-L507 HydrophobicContact SD-CB 4.4Å; M499-L507 HydrophobicContact SD-CD2 3.54Å; M499-L507 VanDerWaalsContact SD-CD2 3.54Å; D503-L507 WeakPolarHBondContact O-CB 3.5Å; D503-L507 PolarHBondContact O-N 3.34Å; F504-L507 PolarHBondContact O-N 3.37Å; L505-L507 PolarHBondContact O-N 3.39Å; L507-G510 PolarHBondContact O-N 3.31Å; L507-P514 HydrophobicContact CD1-CB 3.84Å; L507-P514 HydrophobicContact CD1-CG 3.66Å; L507-L523 HydrophobicContact CD2-CD2 4.47Å; L507-Q539 PolarHBondContact O-NE2 2.93Å
508M86.5Confident87.3Confident0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-79-21.4-173.1-66.8-62.1-60.900113.3V436 I440 F504 L505 L538 Q539 L540V436-M508 HydrophobicContact CG1-CB 3.56Å; V436-M508 HydrophobicContact CG1-CE 3.9Å; V436-M508 HydrophobicContact CG1-CG 3.77Å; V436-M508 HydrophobicContact CG2-CB 4.17Å; I440-M508 HydrophobicContact CD1-CE 3.87Å; F504-M508 HydrophobicContact CD2-CG 4.08Å; F504-M508 HydrophobicContact CE1-CG 4.18Å; F504-M508 HydrophobicContact CE2-CG 3.65Å; F504-M508 HydrophobicContact CE2-SD 4.19Å; F504-M508 HydrophobicContact CZ-CG 3.72Å; F504-M508 HydrophobicContact CZ-SD 4.42Å; F504-M508 WeakPolarHBondContact O-CB 3.49Å; F504-M508 VanDerWaalsContact O-CG 3.28Å; F504-M508 WeakPolarHBondContact O-CG 3.33Å; F504-M508 PolarHBondContact O-N 3.36Å; L505-M508 PolarHBondContact O-N 3.01Å; M508-L538 WeakPolarHBondContact CE-O 3.21Å; M508-Q539 HydrophobicContact SD-CG 4.16Å; M508-L540 WeakPolarHBondContact O-CB 3.33Å; M508-L540 PolarHBondContact O-N 2.63Å
509T81.6Confident86.9Confident32 Ų3250.7 Ų50.720%0.19627%0.273CS..THydrogen-bonded Turntrans-91.34.8171.856.60000113.4L505 A506 K511L505-T509 HydrophobicContact CD1-CG2 3.94Å; L505-T509 HydrophobicContact CG-CG2 4.41Å; L505-T509 WeakPolarHBondContact O-CB 3.44Å; L505-T509 VanDerWaalsContact O-CG2 3.31Å; L505-T509 WeakPolarHBondContact O-CG2 3.19Å; L505-T509 PolarHBondContact O-N 3.13Å; L505-T509 PolarHBondContact O-OG1 3.36Å; A506-T509 PolarHBondContact O-OG1 3.12Å; T509-K511 PolarHBondContact O-N 3.33Å
510G81.6Confident86.6Confident43 Ų4356.3 Ų56.344%0.44330%0.299SS..THydrogen-bonded Turntrans74.46.1179.500000115.1A506 L507 M512A506-G510 PolarHBondContact O-N 3.26Å; L507-G510 PolarHBondContact O-N 3.31Å; G510-M512 VanDerWaalsContact C-N 3.31Å
511K82.6Confident86.3Confident183 Ų18358.5 Ų58.580%0.79632%0.323SS*.SBendtrans-77.1-15177.1-66.3-178.8179.31770113.3A506 T509A506-K511 HydrophobicContact CB-CB 4.31Å; A506-K511 CarbonylContact O-C 3.53Å; A506-K511 WeakPolarHBondContact O-CA 3.49Å; A506-K511 PolarHBondContact O-N 3.22Å; T509-K511 PolarHBondContact O-N 3.33Å
512M83.2Confident86.1Confident34 Ų3462.2 Ų62.217%0.16734%0.339CS..SBendtrans-125132.2177.1-177.4178.1-6800110.8M499 D503 A506 G510 A517 K522M499-M512 HydrophobicContact CE-SD 4.24Å; D503-M512 HydrophobicContact CB-CE 4Å; D503-M512 HydrophobicContact CB-SD 4.32Å; D503-M512 WeakPolarHBondContact OD1-CE 3.34Å; A506-M512 HydrophobicContact CB-CB 3.95Å; A506-M512 HydrophobicContact CB-CE 4.22Å; A506-M512 PolarHBondContact O-N 3.49Å; G510-M512 VanDerWaalsContact C-N 3.31Å; M512-A517 HydrophobicContact CG-CB 4.03Å; M512-A517 HydrophobicContact SD-CB 3.62Å; M512-K522 HydrophobicContact CE-CD 4.48Å
513N85.6Confident86.2Confident83 Ų8359.5 Ų59.544%0.44432%0.319SS..  trans-75.7126.2175.4-177-70000110.7Q515 S516 A517N513-Q515 PolarHBondContact O-N 2.88Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.39Å; N513-Q515 PolarHBondContact OD1-N 2.89Å; N513-S516 PolarHBondContact O-N 3.36Å; N513-S516 PolarHBondContact OD1-N 3.1Å; N513-A517 WeakPolarHBondContact O-CB 3.09Å; N513-A517 PolarHBondContact O-N 3.48Å
514P84.1Confident86.3Confident30 Ų3064.4 Ų64.420%0.19534%0.339CS..Hα-helixtrans-61.1-36.7-178.1-21.328.6000115L507 F518 L523L507-P514 HydrophobicContact CD1-CB 3.84Å; L507-P514 HydrophobicContact CD1-CG 3.66Å; P514-F518 PolarHBondContact O-N 2.94Å; P514-F518 VanDerWaalsContact O-N 3.08Å; P514-L523 HydrophobicContact CB-CD2 4.47Å
515Q83.1Confident86.3Confident128 Ų12865.8 Ų65.860%0.59835%0.346SS*.Hα-helixtrans-69.5-45.9-179.6-65.4177.6-20.700110.5N513 A517 F518 F519N513-Q515 PolarHBondContact O-N 2.88Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.39Å; N513-Q515 PolarHBondContact OD1-N 2.89Å; Q515-A517 VanDerWaalsContact C-N 3.33Å; Q515-A517 PolarHBondContact O-N 3.08Å; Q515-F518 PolarHBondContact O-N 3.4Å; Q515-F519 WeakPolarHBondContact O-CD2 3.47Å; Q515-F519 PolarHBondContact O-N 3.2Å; Q515-F519 VanDerWaalsContact O-N 3.07Å
516S84.9Confident86.4Confident56 Ų5666.8 Ų66.839%0.39235%0.354SS..Hα-helixtrans-61.7-41.6175.9-52.90000111.8N513 F518 F519 Q520N513-S516 PolarHBondContact O-N 3.36Å; N513-S516 PolarHBondContact OD1-N 3.1Å; S516-F518 VanDerWaalsContact C-N 3.3Å; S516-F518 PolarHBondContact O-N 2.92Å; S516-F519 PolarHBondContact O-N 3.5Å; S516-Q520 WeakPolarHBondContact O-CB 3.5Å; S516-Q520 WeakPolarHBondContact O-CG 3.48Å; S516-Q520 PolarHBondContact O-N 3.12Å
517A86.9Confident86.7Confident1 Ų168.5 Ų68.51%0.00837%0.374CS..Hα-helixtrans-61.9-37.6177.100000112.5M512 N513 Q515 G521 K522 L523M512-A517 HydrophobicContact CG-CB 4.03Å; M512-A517 HydrophobicContact SD-CB 3.62Å; N513-A517 WeakPolarHBondContact O-CB 3.09Å; N513-A517 PolarHBondContact O-N 3.48Å; Q515-A517 VanDerWaalsContact C-N 3.33Å; Q515-A517 PolarHBondContact O-N 3.08Å; A517-G521 PolarHBondContact O-N 2.92Å; A517-K522 PolarHBondContact O-N 3.41Å; A517-L523 HydrophobicContact CB-CB 3.88Å; A517-L523 PolarHBondContact O-N 3.09Å
518F86.9Confident86.6Confident91 Ų9172.5 Ų72.540%0.39940%0.395SS..Hα-helixtrans-67.7-48.5176.6-174.7-96.1000111.8P514 Q515 S516 Q520 G521 L523 I525P514-F518 PolarHBondContact O-N 2.94Å; P514-F518 VanDerWaalsContact O-N 3.08Å; Q515-F518 PolarHBondContact O-N 3.4Å; S516-F518 VanDerWaalsContact C-N 3.3Å; S516-F518 PolarHBondContact O-N 2.92Å; F518-Q520 VanDerWaalsContact C-N 3.28Å; F518-Q520 PolarHBondContact O-N 3.19Å; F518-G521 PolarHBondContact O-N 3.48Å; F518-L523 HydrophobicContact CB-CB 4.5Å; F518-L523 HydrophobicContact CB-CD2 4.48Å; F518-L523 VanDerWaalsContact CD2-O 3.26Å; F518-L523 WeakPolarHBondContact CD2-O 3.4Å; F518-I525 HydrophobicContact CD2-CD1 4.1Å; F518-I525 HydrophobicContact CD2-CG1 4.19Å; F518-I525 HydrophobicContact CE2-CB 4.35Å; F518-I525 HydrophobicContact CE2-CD1 4.37Å; F518-I525 HydrophobicContact CE2-CG1 4.27Å
519F85.6Confident86.3Confident179 Ų17976.3 Ų76.379%0.78541%0.414SS*.Hα-helixtrans-65.7-28.9178.2-77-66000113.6Q515 S516 G521Q515-F519 WeakPolarHBondContact O-CD2 3.47Å; Q515-F519 PolarHBondContact O-N 3.2Å; Q515-F519 VanDerWaalsContact O-N 3.07Å; S516-F519 PolarHBondContact O-N 3.5Å; F519-G521 PolarHBondContact O-N 3.43Å
520Q87.6Confident86.3Confident126 Ų12677 Ų7759%0.58943%0.427SS*.THydrogen-bonded Turntrans-80.7-1.5174.4-69.3173.413.800113.3S516 F518 K522S516-Q520 WeakPolarHBondContact O-CB 3.5Å; S516-Q520 WeakPolarHBondContact O-CG 3.48Å; S516-Q520 PolarHBondContact O-N 3.12Å; F518-Q520 VanDerWaalsContact C-N 3.28Å; F518-Q520 PolarHBondContact O-N 3.19Å; Q520-K522 HydrophobicContact CB-CG 4.28Å; Q520-K522 PolarHBondContact O-N 3.17Å
521G88Confident86.5Confident62 Ų6275.6 Ų75.664%0.63941%0.41SS*.THydrogen-bonded Turntrans74.26.8-178.600000115.1A517 F518 F519A517-G521 PolarHBondContact O-N 2.92Å; F518-G521 PolarHBondContact O-N 3.48Å; F519-G521 PolarHBondContact O-N 3.43Å
522K88.9Confident86.5Confident87 Ų8767.4 Ų67.438%0.37838%0.376SS..SBendtrans-79.5-26.7178.6-64.9-176.9174.5-173.70113.1M499 M512 A517 Q520M499-K522 WeakPolarHBondContact CG-O 3.31Å; M512-K522 HydrophobicContact CE-CD 4.48Å; A517-K522 PolarHBondContact O-N 3.41Å; Q520-K522 HydrophobicContact CB-CG 4.28Å; Q520-K522 PolarHBondContact O-N 3.17Å
523L90.8Very high86.4Confident10 Ų1071.5 Ų71.55%0.05240%0.396CS..SBendtrans-112112.1173171.259.1000109.2I497 M499 L507 P514 A517 F518 I525I497-L523 HydrophobicContact CG2-CD1 3.52Å; M499-L523 HydrophobicContact CE-CB 4.07Å; M499-L523 HydrophobicContact CG-CB 4.36Å; M499-L523 HydrophobicContact CG-CD1 3.73Å; M499-L523 HydrophobicContact SD-CB 4.22Å; M499-L523 HydrophobicContact SD-CD1 3.63Å; M499-L523 HydrophobicContact SD-CG 4.43Å; L507-L523 HydrophobicContact CD2-CD2 4.47Å; P514-L523 HydrophobicContact CB-CD2 4.47Å; A517-L523 HydrophobicContact CB-CB 3.88Å; A517-L523 PolarHBondContact O-N 3.09Å; F518-L523 HydrophobicContact CB-CB 4.5Å; F518-L523 HydrophobicContact CB-CD2 4.48Å; F518-L523 VanDerWaalsContact CD2-O 3.26Å; F518-L523 WeakPolarHBondContact CD2-O 3.4Å; L523-I525 HydrophobicContact CD1-CD1 4.38Å; L523-I525 HydrophobicContact CD1-CG1 3.93Å; L523-I525 HydrophobicContact CD2-CD1 4.05Å; L523-I525 HydrophobicContact CD2-CG1 4.43Å; L523-I525 HydrophobicContact CG-CD1 4.1Å; L523-I525 HydrophobicContact CG-CG1 3.93Å
524K92.5Very high86.3Confident134 Ų13471.6 Ų71.658%0.58339%0.392SS*.EExtended strand (participates in β ladder)trans-105.9130.7172-174.1176.6-176.8176.20109.7I497 T498I497-K524 CarbonylContact C-O 3.48Å; I497-K524 WeakPolarHBondContact CA-O 3.23Å; T498-K524 PolarHBondContact N-O 3.4Å; T498-K524 PolarHBondContact O-N 3.04Å
525I91.4Very high85.9Confident31 Ų3170.7 Ų70.716%0.15939%0.386CS..EExtended strand (participates in β ladder)trans-121.9132.7-178.7-52.3176.4000108.4T496 F518 L523 M529 A532T496-I525 WeakPolarHBondContact O-CA 3.4Å; F518-I525 HydrophobicContact CD2-CD1 4.1Å; F518-I525 HydrophobicContact CD2-CG1 4.19Å; F518-I525 HydrophobicContact CE2-CB 4.35Å; F518-I525 HydrophobicContact CE2-CD1 4.37Å; F518-I525 HydrophobicContact CE2-CG1 4.27Å; L523-I525 HydrophobicContact CD1-CD1 4.38Å; L523-I525 HydrophobicContact CD1-CG1 3.93Å; L523-I525 HydrophobicContact CD2-CD1 4.05Å; L523-I525 HydrophobicContact CD2-CG1 4.43Å; L523-I525 HydrophobicContact CG-CD1 4.1Å; L523-I525 HydrophobicContact CG-CG1 3.93Å; I525-M529 HydrophobicContact CB-SD 4.01Å; I525-M529 HydrophobicContact CD1-CE 4.41Å; I525-M529 HydrophobicContact CG2-CE 4.47Å; I525-M529 HydrophobicContact CG2-SD 3.61Å; I525-A532 HydrophobicContact CD1-CB 4.02Å; I525-A532 HydrophobicContact CG2-CB 3.63Å
526T90.4Very high85.6Confident69 Ų6969.6 Ų69.642%0.42338%0.381SS..EExtended strand (participates in β ladder)trans-134.3135.5174.5550000109.8T496T496-T526 WeakPolarHBondContact CB-OG1 3.5Å; T496-T526 PolarHBondContact N-O 3.45Å; T496-T526 PolarHBondContact O-N 2.8Å
527G89.9Confident85.3Confident58 Ų5869.3 Ų69.360%0.59838%0.375SS*.EExtended strand (participates in β ladder)trans109.6-146.8-176.500000112.3M529G527-M529 PolarHBondContact O-N 3.47Å; G527-M529 VanDerWaalsContact O-N 3.09Å
528N86.7Confident84.7Confident85 Ų8569.4 Ų69.446%0.45538%0.375SS..  trans-72.6101.9-174.7-172.9-31.6000112D494 G530 L531 A532D494-N528 WeakPolarHBondContact O-CB 3.39Å; D494-N528 PolarHBondContact O-N 2.71Å; N528-G530 VanDerWaalsContact C-N 3.26Å; N528-G530 PolarHBondContact O-N 3.35Å; N528-G530 WeakPolarHBondContact OD1-CA 3.34Å; N528-G530 PolarHBondContact OD1-N 3.42Å; N528-L531 HydrophobicContact CB-CB 4.28Å; N528-L531 HydrophobicContact CB-CD1 4.02Å; N528-L531 HydrophobicContact CB-CG 4.27Å; N528-L531 PolarHBondContact O-N 3.14Å; N528-L531 VanDerWaalsContact O-N 3.15Å; N528-L531 PolarHBondContact OD1-N 2.83Å; N528-A532 PolarHBondContact O-N 3.14Å
529M80.9Confident84.3Confident81 Ų8166.9 Ų66.940%0.39937%0.365SS..Hα-helixtrans-62.5-28.8179.9-69.1-60-64.900113.9I525 G527 L531 A532 M533I525-M529 HydrophobicContact CB-SD 4.01Å; I525-M529 HydrophobicContact CD1-CE 4.41Å; I525-M529 HydrophobicContact CG2-CE 4.47Å; I525-M529 HydrophobicContact CG2-SD 3.61Å; G527-M529 PolarHBondContact O-N 3.47Å; G527-M529 VanDerWaalsContact O-N 3.09Å; M529-L531 VanDerWaalsContact C-N 3.35Å; M529-A532 WeakPolarHBondContact O-CB 3.47Å; M529-A532 PolarHBondContact O-N 2.82Å; M529-M533 PolarHBondContact O-N 3.17Å
530G81.7Confident83.6Confident45 Ų4559.1 Ų59.146%0.46433%0.331SS..Hα-helixtrans-66.8-36.5175.500000112.3N528N528-G530 VanDerWaalsContact C-N 3.26Å; N528-G530 PolarHBondContact O-N 3.35Å; N528-G530 WeakPolarHBondContact OD1-CA 3.34Å; N528-G530 PolarHBondContact OD1-N 3.42Å
531L84.6Confident82.3Confident15 Ų1561 Ų618%0.07934%0.34CS..Hα-helixtrans-69.8-37.8172.4-74.8175.3000111.6I455 F459 D494 C495 N528 M529 M533 K534 L535I455-L531 WeakPolarHBondContact O-CD2 3.35Å; F459-L531 HydrophobicContact CE1-CB 4.01Å; F459-L531 VanDerWaalsContact CE1-O 3.32Å; F459-L531 WeakPolarHBondContact CE1-O 2.66Å; F459-L531 HydrophobicContact CZ-CB 3.96Å; F459-L531 WeakPolarHBondContact CZ-O 3.34Å; D494-L531 HydrophobicContact CB-CD1 3.43Å; D494-L531 VanDerWaalsContact CB-CD1 3.43Å; C495-L531 HydrophobicContact CB-CB 4.38Å; N528-L531 HydrophobicContact CB-CB 4.28Å; N528-L531 HydrophobicContact CB-CD1 4.02Å; N528-L531 HydrophobicContact CB-CG 4.27Å; N528-L531 PolarHBondContact O-N 3.14Å; N528-L531 VanDerWaalsContact O-N 3.15Å; N528-L531 PolarHBondContact OD1-N 2.83Å; M529-L531 VanDerWaalsContact C-N 3.35Å; L531-M533 PolarHBondContact O-N 2.94Å; L531-K534 HydrophobicContact CD2-CD 4.49Å; L531-K534 WeakPolarHBondContact O-CA 3.29Å; L531-K534 WeakPolarHBondContact O-CB 3.5Å; L531-K534 PolarHBondContact O-N 2.84Å; L531-L535 PolarHBondContact O-N 3.21Å
532A82.5Confident80.3Confident10 Ų1063.8 Ų63.88%0.08335%0.347CS..Hα-helixtrans-58.4-35.717800000112.9I525 N528 M529 K534 L535I525-A532 HydrophobicContact CD1-CB 4.02Å; I525-A532 HydrophobicContact CG2-CB 3.63Å; N528-A532 PolarHBondContact O-N 3.14Å; M529-A532 WeakPolarHBondContact O-CB 3.47Å; M529-A532 PolarHBondContact O-N 2.82Å; A532-K534 VanDerWaalsContact C-N 3.3Å; A532-K534 PolarHBondContact O-N 2.99Å; A532-L535 WeakPolarHBondContact O-CB 3.4Å; A532-L535 PolarHBondContact O-N 3.1Å
533M81.3Confident78.2Confident120 Ų12062.7 Ų62.759%0.59136%0.361SS*.Hα-helixtrans-68.6-29.3174.8-66.3-61.4177.500112.8M529 L531 L535M529-M533 PolarHBondContact O-N 3.17Å; L531-M533 PolarHBondContact O-N 2.94Å; M533-L535 PolarHBondContact O-N 3.45Å
534K83.2Confident75.7Confident85 Ų8570.4 Ų70.437%0.3740%0.402SS..Hα-helixtrans-75.1-11.2176.5-63.1-170.5-176.5-173.70113.4K454 I455 L531 A532 Q536 N537K454-K534 PolarHBondContact O-NZ 3.33Å; K454-K534 VanDerWaalsContact O-NZ 3.11Å; I455-K534 HydrophobicContact CG2-CB 4.16Å; I455-K534 PolarHBondContact O-NZ 3.34Å; I455-K534 VanDerWaalsContact O-NZ 3.12Å; L531-K534 HydrophobicContact CD2-CD 4.49Å; L531-K534 WeakPolarHBondContact O-CA 3.29Å; L531-K534 WeakPolarHBondContact O-CB 3.5Å; L531-K534 PolarHBondContact O-N 2.84Å; A532-K534 VanDerWaalsContact C-N 3.3Å; A532-K534 PolarHBondContact O-N 2.99Å; K534-Q536 PolarHBondContact O-N 3.47Å; K534-Q536 VanDerWaalsContact O-N 3.16Å; K534-N537 WeakPolarHBondContact O-CB 3.48Å; K534-N537 PolarHBondContact O-N 3.27Å; K534-N537 PolarHBondContact O-ND2 2.74Å
535L76Confident73.1Confident12 Ų1267.1 Ų67.16%0.06340%0.4CS..G310 helixtrans-54.6-31.2176-177.472.1000112.6F459 F461 I497 L531 A532 M533 N537 L538F459-L535 HydrophobicContact CD1-CD1 4.44Å; F461-L535 HydrophobicContact CE1-CD1 3.7Å; F461-L535 HydrophobicContact CE1-CD2 4.41Å; F461-L535 HydrophobicContact CZ-CD1 3.45Å; F461-L535 VanDerWaalsContact CZ-CD1 3.45Å; I497-L535 HydrophobicContact CD1-CD1 3.9Å; I497-L535 HydrophobicContact CD1-CD2 3.48Å; I497-L535 VanDerWaalsContact CD1-CD2 3.48Å; I497-L535 HydrophobicContact CD1-CG 4.22Å; L531-L535 PolarHBondContact O-N 3.21Å; A532-L535 WeakPolarHBondContact O-CB 3.4Å; A532-L535 PolarHBondContact O-N 3.1Å; M533-L535 PolarHBondContact O-N 3.45Å; L535-N537 PolarHBondContact O-N 3.38Å; L535-N537 VanDerWaalsContact O-N 3.07Å; L535-L538 HydrophobicContact CD1-CD1 4.43Å; L535-L538 WeakPolarHBondContact O-CB 3.29Å; L535-L538 PolarHBondContact O-N 3.25Å
536Q76.3Confident70.4Confident104 Ų10476.2 Ų76.249%0.48644%0.438SS..G310 helixtrans-55.5-26.9176.8-67179.9-6.200112.8K534 L538 Q539K534-Q536 PolarHBondContact O-N 3.47Å; K534-Q536 VanDerWaalsContact O-N 3.16Å; Q536-L538 PolarHBondContact O-N 3.13Å; Q536-Q539 WeakPolarHBondContact O-CB 3.2Å; Q536-Q539 PolarHBondContact O-N 3.37Å; Q536-Q539 VanDerWaalsContact O-N 3.16Å
537N79.6Confident67.8Low51 Ų5180.9 Ų80.927%0.27346%0.46SS..G310 helixtrans-66.9-21.6175.3-65.1-69.4000113.2F451 K454 I455 K534 L535F451-N537 WeakPolarHBondContact CE1-O 3.44Å; K454-N537 WeakPolarHBondContact CE-OD1 3.02Å; K454-N537 PolarHBondContact NZ-OD1 3.23Å; I455-N537 HydrophobicContact CD1-CB 3.85Å; I455-N537 HydrophobicContact CG1-CB 4.22Å; K534-N537 WeakPolarHBondContact O-CB 3.48Å; K534-N537 PolarHBondContact O-N 3.27Å; K534-N537 PolarHBondContact O-ND2 2.74Å; L535-N537 PolarHBondContact O-N 3.38Å; L535-N537 VanDerWaalsContact O-N 3.07Å
538L74.1Confident66.7Low3 Ų382.1 Ų82.12%0.01645%0.453CS..G310 helixtrans-95-2.8176.2-63170.7000112.6F451 I455 V476 V478 M508 L535 Q536F451-L538 HydrophobicContact CD1-CD2 4.09Å; F451-L538 HydrophobicContact CE1-CD2 4.39Å; F451-L538 HydrophobicContact CG-CD2 4.48Å; I455-L538 HydrophobicContact CD1-CD1 4.02Å; I455-L538 HydrophobicContact CD1-CD2 3.86Å; I455-L538 HydrophobicContact CD1-CG 3.62Å; V476-L538 HydrophobicContact CG1-CD1 4.46Å; V478-L538 HydrophobicContact CG2-CD1 4.05Å; M508-L538 WeakPolarHBondContact CE-O 3.21Å; L535-L538 HydrophobicContact CD1-CD1 4.43Å; L535-L538 WeakPolarHBondContact O-CB 3.29Å; L535-L538 PolarHBondContact O-N 3.25Å; Q536-L538 PolarHBondContact O-N 3.13Å
539Q78.8Confident65.7Low37 Ų3781.9 Ų81.917%0.17345%0.453CS..SBendtrans-65.7146.3175.9-73.4179.5-38.600111L507 M508 Q536 Q541L507-Q539 PolarHBondContact O-NE2 2.93Å; M508-Q539 HydrophobicContact SD-CG 4.16Å; Q536-Q539 WeakPolarHBondContact O-CB 3.2Å; Q536-Q539 PolarHBondContact O-N 3.37Å; Q536-Q539 VanDerWaalsContact O-N 3.16Å; Q539-Q541 PolarHBondContact O-N 3.4Å
540L71.6Confident64.8Low16 Ų1681.9 Ų81.98%0.08446%0.456CS..  trans-77111.2174.5-55.5173.9000106.9E439 M508E439-L540 HydrophobicContact CB-CD1 4.39Å; E439-L540 HydrophobicContact CB-CD2 3.9Å; M508-L540 WeakPolarHBondContact O-CB 3.33Å; M508-L540 PolarHBondContact O-N 2.63Å
541Q58.5Low63.8Low165 Ų16584.1 Ų84.177%0.77146%0.455SS*.  trans-62.7135.1178.5-70.7-167.4-2.300110.1Q539 G543Q539-Q541 PolarHBondContact O-N 3.4Å; Q541-G543 PolarHBondContact O-N 3.25Å
542P47.4Very low62.5Low121 Ų12188.4 Ų88.479%0.78648%0.479SS*.THydrogen-bonded Turntrans-72.297.7171.912.6-1.9000108.1
543G44.5Very low61.2Low65 Ų6593.7 Ų93.767%0.6751%0.505SS*.THydrogen-bonded Turntrans179.7-31.8179.600000116.2Q541Q541-G543 PolarHBondContact O-N 3.25Å
544N38.9Very low59.8Low171 Ų17191.8 Ų91.891%0.91450%0.499SS*.SBendtrans-135.88.3-173.5-83.9-17.9000116.2
545A36.8Very low57.9Low66 Ų6692.3 Ų92.355%0.54551%0.509SS..  trans-108.3103.2172.600000109.6L547A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 2.67Å; A545-L547 VanDerWaalsContact O-N 3.16Å
546K35.7Very low56.4Low221 Ų22199 Ų9996%0.96155%0.547SS*.  trans-74.493.4156.6-80.4-174.7177.8179.80106.7
547L35.4Very low54.6Low168 Ų16898.5 Ų98.588%0.8855%0.552SS**  trans-97.90161.3-85.5165.5000109A545A545-L547 VanDerWaalsContact C-N 3.31Å; A545-L547 PolarHBondContact O-N 2.67Å; A545-L547 VanDerWaalsContact O-N 3.16Å

Retrieved 547 of 547 residues in 111.4 ms (Link to these results)

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