A0A077Z731_TRITR Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077Z731, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,898 aa.

>A0A077Z731_TRITR|A0A077Z731
MSVGLVEYPEINEGGKPKVGGLMDQRQGVIDRKGRCQTCAGNIAECPGHFAHLELCKPVFHVSFFSKILKILRCVCYHCSKVLVDRTSPKVIDAITRSKRSPKKRLTLIYDICKSKSICEGAEETDVDRSGQASENNDLADKTLKSFGGCMRFQPTYKRVGLEITAEWKKLNEETQEKKVTMSAERVLDIFKGITDEDCSLLGMDPRYARPDWMILQVLPVPPLAVRPAVVTFGSARNQDDLTYKIADIVKANNQLKRNEQNGAAAHVLAEDVRLLQYHVATLIDNEIPGIPRATHKSGRPLKSLKQRLKGKEGRIRGNLMGKRVDFSARTVITPDPNLALDQLGVPKTIAQNLTVPEIVTPFNIDQLQSLVDRGDSHYPGAKYIIRDNGARIDLRYHPKASDLHLQIGYKVERHLRDGDVVIFNRQPTLHKMSMMGHRVKVLPWSTFRLNLSVTTPYNADFDGDEMNLHLPQMLETKAEVQELCMIPRMILTPQANRPVMGIVQDTLTACRKMTKRDVFIERRYLNDLLMHLPSWNGRVPQPAILKPQPFWTGKQLFSLIIPGNVNLVLIEHGQLLSGILCKRTLGTSSGSLIHVVTLELGFDIAAQFLSNIQMVVNNWLLIEGHSIGIGDTIADQQTYREIKETIQKAKHDVMEVVEKAHSDELEPTPGNTLRQTFENMVNRILNDARDKTGASAQKSLSEYNNFKTMVVAGSKGSKINISQVIACVGQQNVEGKRIPFGFRHRTLPHFIKDDYGPESRGFVENSYLAGLTPSEFFFHTMGGREGLIDTAVKTAETGYIQRRLIKAMESVMVNYDGTVRNSMGHLVQLRYGEDGLDGALVEYQTLPSLKLSNAMFEKRYRMDPSDERMLRKTYSETVVRDLLGSAQAMTQLEQEFAQLEEDRRVLRQIFPTGESRVVLPCNLERIIWNAQKIFHVNSKSLTDLHPLRVIEGVRELTKKLVIVKGEDRISQEAQLNATLLLNCLIRSTLASKRLAFDYKLNTESFEWLLGEIETRFQQAQVQPGEMVGALSALSLGEPATQMTLNTFHYAGVSAKNVTLGVPRLKEIINVSKQPKTPSLTIFLTGSAARDAEKAKDVICRIEHMTLRKMTLSTAIYYDPDPLNTIIPEDQDWVNVFFEMPDFNVERCSPWLLRIEVDRKKMTDKKMTMESVAEKIHQAFGDDLLVIYTDDNADNLIFRIRIMNSGISEDKDGVDEQVDKMEDDVFLRVIEANLLSDMTLQGIESISKVYMHLPTTNDKRRTVITPEGEYKSLSEWILETDGTSLLKVLSERDVDQTRTYSNDICEIFEVLGIEAVRKALEREINHVISFDGSYVNYRHLALLCDVMTTKGHLMAITRHGINRQEVGPLMRCSFEETVDILIEAACHAENDPLRGVSENVMLGQLAKMGTGSFDLLLDTEKCKLGMEIPANIMGSFGVSGFMMPGVMTPSAAPVSPIATPWNSGVTPSYPGGWSPSFSASMTPNVGAFSPAAQSESSFSPAYSPGFSPVSPGSPFASDAHDGGSPVPAYSPTTPGFSPSSPMASPAYSPVSPKYNPSSPQYSPASPAYGSTSPSYKPLKKYSPTSPHYSPTNPAYGMTSPSFSPSSPGYDTASSPHYSPMSPSYSPTSPCYDGVSPRYSGQTIGSYQPSSPSFAPTSPSYSPTSPGYVGVASPGPSYMSKEVNSKYSPTSPRYSPTSPSYSPSKPHMASPSVSNFNPASPSYSPSSPNYAATNPEFSPTSPSYSPSSPSYSPSAPRYGSVSPKYSPTSPEYRSSSRFTPSSPSYSPTSPQYAASSPQYAASSPRYGLGTPSYAPSPPHYSPSSPRYSPTSPKYSPTSPMFNGTSNYSPTSPRYPASSPSYSPQSPTYGQTSQSYSPASPQYTPTSPLMDSPLPDTDEE
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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
1M77.6Confident89.3Confident228 Ų22864.4 Ų64.4100%1.12333%0.331SS*.  0-66.60-74.2-164.2-73.800110.5
2S87.9Confident88.8Confident47 Ų4764.5 Ų64.533%0.32933%0.333SS..  trans-71.2149.2169.9-1750000111.9G4 F50 A51 H52S2-G4 PolarHBondContact OG-N 2.81Å; S2-G4 PolarHBondContact OG-O 3.18Å; S2-F50 CarbonylContact C-O 3.59Å; S2-F50 VanDerWaalsContact CA-O 3.27Å; S2-F50 WeakPolarHBondContact CA-O 3.49Å; S2-A51 WeakPolarHBondContact OG-CA 3.27Å; S2-H52 PolarHBondContact OG-N 2.76Å; S2-H52 PolarHBondContact OG-ND1 2.69Å
3V91.3Very high88.4Confident42 Ų4268.9 Ų68.926%0.25535%0.351SS..SBendtrans-108.3-1.5168.9-59.50000114R26 T38 H49 F50V3-R26 HydrophobicContact CG2-CB 3.97Å; V3-T38 HydrophobicContact CG1-CG2 4.09Å; V3-H49 HydrophobicContact CB-CB 4.38Å; V3-H49 HydrophobicContact CG1-CB 3.58Å; V3-H49 HydrophobicContact CG2-CB 3.87Å; V3-F50 PolarHBondContact N-O 2.77Å
4G86.7Confident87.8Confident14 Ų1470.1 Ų70.114%0.14439%0.389CS..  trans177.6155.4-179.300000114S2 A51 H52S2-G4 PolarHBondContact OG-N 2.81Å; S2-G4 PolarHBondContact OG-O 3.18Å; G4-A51 WeakPolarHBondContact O-CB 3.47Å; G4-H52 PolarHBondContact O-N 2.95Å; G4-H52 VanDerWaalsContact O-N 3.09Å; G4-H52 PolarHBondContact O-ND1 3.4Å
5L93Very high87.1Confident53 Ų5369.4 Ų69.428%0.27740%0.404SS..BIsolated β-bridgetrans-76.7140.7166.9-173.961.8000109.7E7 G20 E54L5-E7 HydrophobicContact CD2-CG 3.74Å; L5-E7 HydrophobicContact CG-CG 3.85Å; L5-G20 WeakPolarHBondContact O-CA 3.24Å; L5-E54 HydrophobicContact CD1-CB 4.38Å; L5-E54 HydrophobicContact CD1-CG 3.88Å
6V93.6Very high86.7Confident1 Ų175.3 Ų75.31%0.00642%0.423CS..  trans-101.9111.7168178.10000107.9G20 L22 A51 H52 L53 V221 V250V6-G20 CarbonylContact C-O 3.55Å; V6-G20 WeakPolarHBondContact CA-O 3.43Å; V6-L22 HydrophobicContact CG1-CD2 3.75Å; V6-A51 HydrophobicContact CG2-CB 3.78Å; V6-H52 PolarHBondContact N-O 3.39Å; V6-L53 VanDerWaalsContact O-CD1 3.24Å; V6-L53 WeakPolarHBondContact O-CD1 3.29Å; V6-V221 HydrophobicContact CB-CG2 4.4Å; V6-V221 HydrophobicContact CG2-CB 4.29Å; V6-V221 HydrophobicContact CG2-CG1 4.24Å; V6-V221 HydrophobicContact CG2-CG2 4.05Å; V6-V250 HydrophobicContact CG1-CG2 4.01Å
7E91.9Very high86.6Confident85 Ų8572.5 Ų72.540%0.39741%0.409SS..  trans-106.6-30178.9-57.7-175.8123.900111.6L5 G20 V250 N254L5-E7 HydrophobicContact CD2-CG 3.74Å; L5-E7 HydrophobicContact CG-CG 3.85Å; E7-G20 PolarHBondContact N-O 2.83Å; E7-V250 VanDerWaalsContact O-CG1 3.29Å; E7-V250 WeakPolarHBondContact O-CG1 3.35Å; E7-N254 PolarHBondContact O-ND2 2.77Å
8Y93.9Very high86.8Confident87 Ų8770.1 Ų70.134%0.34139%0.393SS..BIsolated β-bridgetrans-109.8128.1-166.8-58-72.2000112.2E10 K18 G20Y8-E10 PolarHBondContact O-N 3.28Å; Y8-K18 HydrophobicContact CD2-CD 4.25Å; Y8-K18 HydrophobicContact CD2-CG 4.46Å; Y8-K18 HydrophobicContact CG-CD 3.95Å; Y8-G20 PolarHBondContact N-O 3.27Å; Y8-G20 VanDerWaalsContact N-O 3.15Å
9P92.6Very high86.8Confident23 Ų2371.6 Ų71.615%0.14940%0.404CS..SBendtrans-77.4-11.1172.132.7-32.4000112.1A247 V250 K251P9-A247 HydrophobicContact CB-CB 4.2Å; P9-V250 HydrophobicContact CB-CB 4.21Å; P9-V250 HydrophobicContact CB-CG1 4.12Å; P9-V250 HydrophobicContact CG-CG1 4.31Å; P9-K251 HydrophobicContact CB-CG 4.01Å; P9-K251 HydrophobicContact CG-CG 3.94Å
10E87.8Confident87Confident86 Ų8668.3 Ų68.340%0.40239%0.386SS..  trans-70151171.6-54.280.2-122.800112Y8 K18 L22Y8-E10 PolarHBondContact O-N 3.28Å; E10-K18 HydrophobicContact CB-CD 4.09Å; E10-K18 IonicContact OE2-NZ 3.98Å; E10-K18 PolarHBondContact OE2-NZ 3.45Å; E10-L22 PolarHBondContact O-N 3.06Å
11I86Confident87.2Confident42 Ų4265 Ų6522%0.21537%0.368CS..  trans-98.9-42.1-176.6-78.2159.8000111.8P17 K18 L22 M23 Q239 T243I11-P17 WeakPolarHBondContact O-CA 3.36Å; I11-K18 PolarHBondContact O-N 3.46Å; I11-L22 HydrophobicContact CG1-CB 4.27Å; I11-M23 HydrophobicContact CB-CG 4.5Å; I11-M23 HydrophobicContact CG1-CG 4.39Å; I11-M23 HydrophobicContact CG2-CB 4.07Å; I11-M23 HydrophobicContact CG2-CG 3.7Å; I11-Q239 HydrophobicContact CD1-CG 3.67Å; I11-T243 HydrophobicContact CD1-CG2 4.32Å
12N83.1Confident87.8Confident66 Ų6654.1 Ų54.135%0.35331%0.314SS..EExtended strand (participates in β ladder)trans-128.2152.2-177.4-68.9-21.7000110.8K16N12-K16 CarbonylContact C-O 3.6Å; N12-K16 WeakPolarHBondContact CA-O 3.32Å; N12-K16 VanDerWaalsContact CB-O 3.31Å; N12-K16 WeakPolarHBondContact CB-O 3.41Å
13E83.8Confident87.9Confident122 Ų12252.2 Ų52.257%0.5730%0.3SS*.EExtended strand (participates in β ladder)trans-136.7128170.1-173.9165179.800108.1G15 K16 K18E13-G15 PolarHBondContact O-N 3.26Å; E13-G15 VanDerWaalsContact O-N 3.09Å; E13-K16 PolarHBondContact N-O 3.34Å; E13-K16 PolarHBondContact O-N 2.76Å; E13-K16 VanDerWaalsContact O-O 3.06Å; E13-K18 HydrophobicContact CB-CB 4.13Å; E13-K18 HydrophobicContact CB-CD 4.28Å; E13-K18 HydrophobicContact CB-CG 4.17Å; E13-K18 WeakPolarHBondContact OE2-CD 3.48Å; E13-K18 WeakPolarHBondContact OE2-CE 3.41Å; E13-K18 WeakPolarHBondContact OE2-CG 3.4Å; E13-K18 IonicContact OE2-NZ 3.21Å
14G79.6Confident87.8Confident86 Ų8650.4 Ų50.489%0.88729%0.289SS*.THydrogen-bonded Turntrans55.626.5-17200000114.5K16G14-K16 PolarHBondContact O-N 2.93Å
15G77.6Confident87.8Confident59 Ų5953.6 Ų53.661%0.60830%0.3SS*.THydrogen-bonded Turntrans78.7-13.7-175.400000115.6E13E13-G15 PolarHBondContact O-N 3.26Å; E13-G15 VanDerWaalsContact O-N 3.09Å
16K80.9Confident87.7Confident163 Ų16354.6 Ų54.671%0.70930%0.301SS*.EExtended strand (participates in β ladder)trans-83.5156.2169.8-64.5177.7-177.8175.20109.7N12 E13 G14N12-K16 CarbonylContact C-O 3.6Å; N12-K16 WeakPolarHBondContact CA-O 3.32Å; N12-K16 VanDerWaalsContact CB-O 3.31Å; N12-K16 WeakPolarHBondContact CB-O 3.41Å; E13-K16 PolarHBondContact N-O 3.34Å; E13-K16 PolarHBondContact O-N 2.76Å; E13-K16 VanDerWaalsContact O-O 3.06Å; G14-K16 PolarHBondContact O-N 2.93Å
17P85.8Confident87.6Confident29 Ų2954.7 Ų54.719%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-63.6137.5172.9-18.532.1000111.2I11 M23 Q25I11-P17 WeakPolarHBondContact O-CA 3.36Å; P17-M23 HydrophobicContact CB-CB 4.04Å; P17-M23 WeakPolarHBondContact CB-O 3.34Å; P17-Q25 HydrophobicContact CB-CG 4.34Å; P17-Q25 HydrophobicContact CG-CG 4.07Å
18K88.9Confident87.6Confident29 Ų2950.8 Ų50.813%0.12628%0.283CS..PPolyproline II helixtrans-74.3130.5-176.2-174.1167.2-177176.40111.2Y8 E10 I11 E13 G21Y8-K18 HydrophobicContact CD2-CD 4.25Å; Y8-K18 HydrophobicContact CD2-CG 4.46Å; Y8-K18 HydrophobicContact CG-CD 3.95Å; E10-K18 HydrophobicContact CB-CD 4.09Å; E10-K18 IonicContact OE2-NZ 3.98Å; E10-K18 PolarHBondContact OE2-NZ 3.45Å; I11-K18 PolarHBondContact O-N 3.46Å; E13-K18 HydrophobicContact CB-CB 4.13Å; E13-K18 HydrophobicContact CB-CD 4.28Å; E13-K18 HydrophobicContact CB-CG 4.17Å; E13-K18 WeakPolarHBondContact OE2-CD 3.48Å; E13-K18 WeakPolarHBondContact OE2-CE 3.41Å; E13-K18 WeakPolarHBondContact OE2-CG 3.4Å; E13-K18 IonicContact OE2-NZ 3.21Å; K18-G21 WeakPolarHBondContact O-CA 3.34Å; K18-G21 PolarHBondContact O-N 3.44Å
19V88.2Confident87.3Confident98 Ų9847.6 Ų47.659%0.59427%0.273SS*.THydrogen-bonded Turntrans-69.2133.6173.8-177.20000108.7G21V19-G21 PolarHBondContact O-N 3.17Å
20G90.2Very high86.7Confident5 Ų549 Ų495%0.05228%0.279CS..THydrogen-bonded Turntrans69.26-168.900000114.1L5 V6 E7 Y8 D24L5-G20 WeakPolarHBondContact O-CA 3.24Å; V6-G20 CarbonylContact C-O 3.55Å; V6-G20 WeakPolarHBondContact CA-O 3.43Å; E7-G20 PolarHBondContact N-O 2.83Å; Y8-G20 PolarHBondContact N-O 3.27Å; Y8-G20 VanDerWaalsContact N-O 3.15Å; G20-D24 PolarHBondContact N-OD2 3.07Å
21G91.1Very high86.4Confident0 Ų049.1 Ų49.10%028%0.282CS..BIsolated β-bridgetrans-96.1179.9174.700000113.3K18 V19 M23 D24 Q27K18-G21 WeakPolarHBondContact O-CA 3.34Å; K18-G21 PolarHBondContact O-N 3.44Å; V19-G21 PolarHBondContact O-N 3.17Å; G21-M23 PolarHBondContact O-N 3.41Å; G21-M23 VanDerWaalsContact O-N 3.14Å; G21-D24 PolarHBondContact O-N 3.36Å; G21-Q27 PolarHBondContact O-NE2 3.07Å
22L90.7Very high86.1Confident0 Ų052.9 Ų52.90%029%0.293CS..THydrogen-bonded Turntrans-72.4-5.7-174.5-65.5173.7000115.2V6 E10 I11 R227 T243 I246 A247V6-L22 HydrophobicContact CG1-CD2 3.75Å; E10-L22 PolarHBondContact O-N 3.06Å; I11-L22 HydrophobicContact CG1-CB 4.27Å; L22-R227 VanDerWaalsContact O-CZ 3.28Å; L22-R227 PolarHBondContact O-NH1 3.02Å; L22-R227 PolarHBondContact O-NH2 3.34Å; L22-T243 HydrophobicContact CB-CG2 4.37Å; L22-T243 HydrophobicContact CD1-CG2 4.35Å; L22-I246 HydrophobicContact CD2-CB 4.33Å; L22-I246 HydrophobicContact CD2-CG2 3.6Å; L22-A247 HydrophobicContact CD1-CB 3.49Å; L22-A247 VanDerWaalsContact CD1-CB 3.49Å
23M88.3Confident86.1Confident6 Ų659.2 Ų59.23%0.0332%0.318CS..THydrogen-bonded Turntrans-125.322.8175.4-76.5-69.4176.300112.9I11 P17 G21 Q25 I30 L224 A229I11-M23 HydrophobicContact CB-CG 4.5Å; I11-M23 HydrophobicContact CG1-CG 4.39Å; I11-M23 HydrophobicContact CG2-CB 4.07Å; I11-M23 HydrophobicContact CG2-CG 3.7Å; P17-M23 HydrophobicContact CB-CB 4.04Å; P17-M23 WeakPolarHBondContact CB-O 3.34Å; G21-M23 PolarHBondContact O-N 3.41Å; G21-M23 VanDerWaalsContact O-N 3.14Å; M23-Q25 PolarHBondContact O-N 3.48Å; M23-I30 HydrophobicContact CE-CD1 3.8Å; M23-I30 HydrophobicContact SD-CD1 3.84Å; M23-L224 HydrophobicContact CE-CD2 4.43Å; M23-L224 HydrophobicContact SD-CD1 3.78Å; M23-L224 HydrophobicContact SD-CD2 3.59Å; M23-L224 VanDerWaalsContact SD-CD2 3.59Å; M23-L224 HydrophobicContact SD-CG 4.25Å; M23-A229 HydrophobicContact CE-CB 3.89Å
24D89.2Confident86Confident5 Ų554.4 Ų54.43%0.02730%0.301CS..  trans-49125.5174.7-171.7-45.6000111.4G20 G21 R26 Q27G20-D24 PolarHBondContact N-OD2 3.07Å; G21-D24 PolarHBondContact O-N 3.36Å; D24-R26 PolarHBondContact O-N 3.48Å; D24-R26 VanDerWaalsContact O-N 3.08Å; D24-R26 VanDerWaalsContact OD1-CB 3.24Å; D24-R26 WeakPolarHBondContact OD1-CB 3.4Å; D24-R26 VanDerWaalsContact OD1-CG 3.3Å; D24-R26 WeakPolarHBondContact OD1-CG 3.43Å; D24-R26 IonicContact OD1-CZ 2.83Å; D24-R26 PolarHBondContact OD1-N 3.06Å; D24-R26 IonicContact OD1-NE 3.59Å; D24-R26 PolarHBondContact OD1-NE 2.97Å; D24-R26 IonicContact OD2-CZ 3.37Å; D24-R26 IonicContact OD2-NE 2.87Å; D24-R26 PolarHBondContact OD2-NE 3.31Å; D24-R26 IonicContact OD2-NH2 3.72Å; D24-R26 PolarHBondContact OD2-NH2 2.89Å; D24-Q27 HydrophobicContact CB-CG 4.41Å; D24-Q27 WeakPolarHBondContact O-CB 3.28Å; D24-Q27 PolarHBondContact O-N 3.09Å
25Q88.1Confident86.5Confident81 Ų8156.5 Ų56.538%0.37928%0.282SS..THydrogen-bonded Turntrans-68.3-6.8-173.7-63.6-176.5-19.700114.1P17 M23 Q37P17-Q25 HydrophobicContact CB-CG 4.34Å; P17-Q25 HydrophobicContact CG-CG 4.07Å; M23-Q25 PolarHBondContact O-N 3.48Å; Q25-Q37 HydrophobicContact CB-CB 4.47Å; Q25-Q37 HydrophobicContact CB-CG 3.75Å; Q25-Q37 PolarHBondContact O-N 2.81Å; Q25-Q37 VanDerWaalsContact O-N 3.11Å
26R90.9Very high87.1Confident74 Ų7453.9 Ų53.928%0.27925%0.254SS..THydrogen-bonded Turntrans-74.6-29.2167.1-61176.1-69.8174.7-1.5111.9V3 D24 G28 Q37 T38 H49V3-R26 HydrophobicContact CG2-CB 3.97Å; D24-R26 PolarHBondContact O-N 3.48Å; D24-R26 VanDerWaalsContact O-N 3.08Å; D24-R26 VanDerWaalsContact OD1-CB 3.24Å; D24-R26 WeakPolarHBondContact OD1-CB 3.4Å; D24-R26 VanDerWaalsContact OD1-CG 3.3Å; D24-R26 WeakPolarHBondContact OD1-CG 3.43Å; D24-R26 IonicContact OD1-CZ 2.83Å; D24-R26 PolarHBondContact OD1-N 3.06Å; D24-R26 IonicContact OD1-NE 3.59Å; D24-R26 PolarHBondContact OD1-NE 2.97Å; D24-R26 IonicContact OD2-CZ 3.37Å; D24-R26 IonicContact OD2-NE 2.87Å; D24-R26 PolarHBondContact OD2-NE 3.31Å; D24-R26 IonicContact OD2-NH2 3.72Å; D24-R26 PolarHBondContact OD2-NH2 2.89Å; R26-G28 PolarHBondContact O-N 2.73Å; R26-Q37 HydrophobicContact CG-CB 4.02Å; R26-T38 PolarHBondContact O-OG1 2.85Å; R26-H49 PolarHBondContact O-CD2 3.16Å; R26-H49 VanDerWaalsContact O-CD2 3.25Å
27Q92Very high87.5Confident3 Ų351.6 Ų51.61%0.01425%0.246CC..SBendtrans-74-6.5178.4-63.3-178.748.900113.7G21 D24 G48 H49 A51 P223 L224G21-Q27 PolarHBondContact O-NE2 3.07Å; D24-Q27 HydrophobicContact CB-CG 4.41Å; D24-Q27 WeakPolarHBondContact O-CB 3.28Å; D24-Q27 PolarHBondContact O-N 3.09Å; Q27-G48 WeakPolarHBondContact O-CA 3.11Å; Q27-H49 WeakPolarHBondContact CA-O 3.19Å; Q27-H49 PolarHBondContact O-N 3.31Å; Q27-A51 HydrophobicContact CG-CB 3.76Å; Q27-P223 WeakPolarHBondContact O-CB 3.41Å; Q27-L224 HydrophobicContact CB-CD2 4.28Å; Q27-L224 HydrophobicContact CB-CG 4.16Å
28G90.3Very high87.9Confident2 Ų253.4 Ų53.42%0.02126%0.257CS..  trans137.4-179.4-178.200000111.7R26R26-G28 PolarHBondContact O-N 2.73Å
29V87.6Confident88Confident21 Ų2154.7 Ų54.713%0.12727%0.269CS..  trans-113.4143.7179.263.40000111.2D31 C36 I43 C46V29-D31 WeakPolarHBondContact CG2-O 3.34Å; V29-C36 HydrophobicContact CB-CB 4.48Å; V29-I43 HydrophobicContact CG1-CB 4.17Å; V29-C46 HydrophobicContact CG1-CB 4.23Å
30I81.2Confident88.2Confident53 Ų5353.1 Ų53.127%0.27227%0.266SS..  trans-124.1-11.9-178.5-158.8163.6000113.8M23 L224 A229M23-I30 HydrophobicContact CE-CD1 3.8Å; M23-I30 HydrophobicContact SD-CD1 3.84Å; I30-L224 HydrophobicContact CB-CD1 4.42Å; I30-A229 HydrophobicContact CD1-CB 3.73Å
31D80.7Confident88.2Confident88 Ų8853.1 Ų53.147%0.47127%0.266SS..SBendtrans-95.6136.6172.9-168.2-34.5000109.5V29 K33 G34V29-D31 WeakPolarHBondContact CG2-O 3.34Å; D31-K33 PolarHBondContact O-N 3.47Å; D31-K33 PolarHBondContact OD1-N 2.78Å; D31-G34 PolarHBondContact O-N 2.79Å
32R80.5Confident88.1Confident120 Ų12054 Ų5445%0.45327%0.271SS..THydrogen-bonded Turntrans-60.7-29.9176.2-71.3175.1170.81612.4113.5M1678 E1681R32-M1678 HydrophobicContact CB-SD 4.2Å; R32-M1678 HydrophobicContact CG-SD 3.96Å; R32-E1681 IonicContact CZ-OE1 3.44Å; R32-E1681 IonicContact CZ-OE2 3.65Å; R32-E1681 IonicContact NH2-OE1 3.48Å; R32-E1681 PolarHBondContact NH2-OE1 2.97Å; R32-E1681 IonicContact NH2-OE2 2.72Å; R32-E1681 PolarHBondContact NH2-OE2 2.96Å
33K83Confident87.9Confident200 Ų20057.7 Ų57.787%0.8729%0.29SS*.THydrogen-bonded Turntrans-91.6-6.8174.2-68.4-171.6176.8-174.70113D31D31-K33 PolarHBondContact O-N 3.47Å; D31-K33 PolarHBondContact OD1-N 2.78Å
34G81.6Confident87.8Confident21 Ų2161.3 Ų61.322%0.21632%0.321CS..  trans-74.1165.4179.400000112.8D31D31-G34 PolarHBondContact O-N 2.79Å
35R89.1Confident87.8Confident129 Ų12963.7 Ų63.749%0.48733%0.332SS..  trans-128.4141170.6-72.2-83.3172.4-171.3-0.8107.9A40 E45R35-A40 WeakPolarHBondContact CD-O 3.43Å; R35-A40 PolarHBondContact NH1-O 3.04Å; R35-E45 IonicContact CZ-OE2 2.77Å; R35-E45 IonicContact NH1-OE2 3.4Å; R35-E45 PolarHBondContact NH1-OE2 3.13Å
36C90.8Very high87.9Confident4 Ų460.5 Ų60.53%0.02732%0.318CS..  trans-66.6133.6176.4-179.90000110.6V29 T38 A40 G41 C46 H49V29-C36 HydrophobicContact CB-CB 4.48Å; C36-T38 PolarHBondContact O-N 2.85Å; C36-T38 PolarHBondContact SG-N 3.15Å; C36-T38 VanDerWaalsContact SG-N 3.42Å; C36-A40 VanDerWaalsContact O-CA 3.3Å; C36-A40 WeakPolarHBondContact O-CA 3.46Å; C36-A40 PolarHBondContact O-N 3.34Å; C36-G41 PolarHBondContact N-O 3.44Å; C36-C46 HydrophobicContact CB-CB 4.23Å; C36-C46 VanDerWaalsContact SG-SG 3.63Å; C36-H49 PolarHBondContact SG-CD2 2.83Å; C36-H49 PolarHBondContact SG-NE2 3.07Å; C36-H49 VanDerWaalsContact SG-NE2 3.4Å
37Q90.3Very high87.9Confident115 Ų11561.5 Ų61.554%0.53733%0.334SS..THydrogen-bonded Turntrans-68.5-19.3178.6-71.9-172.26.500113.4Q25 R26Q25-Q37 HydrophobicContact CB-CB 4.47Å; Q25-Q37 HydrophobicContact CB-CG 3.75Å; Q25-Q37 PolarHBondContact O-N 2.81Å; Q25-Q37 VanDerWaalsContact O-N 3.11Å; R26-Q37 HydrophobicContact CG-CB 4.02Å
38T92.3Very high87.9Confident67 Ų6761.9 Ų61.941%0.41134%0.339SS..THydrogen-bonded Turntrans-94.3-39.8-178.3-640000113.6V3 R26 C36V3-T38 HydrophobicContact CG1-CG2 4.09Å; R26-T38 PolarHBondContact O-OG1 2.85Å; C36-T38 PolarHBondContact O-N 2.85Å; C36-T38 PolarHBondContact SG-N 3.15Å; C36-T38 VanDerWaalsContact SG-N 3.42Å
39C92.7Very high88.1Confident56 Ų5663.4 Ų63.438%0.37835%0.346SS..THydrogen-bonded Turntrans-120.81.2-174.176.70000115.1G41 C46 H49C39-G41 PolarHBondContact O-N 3.4Å; C39-G41 PolarHBondContact SG-N 3.42Å; C39-G41 VanDerWaalsContact SG-N 3.4Å; C39-C46 VanDerWaalsContact SG-SG 3.65Å; C39-H49 PolarHBondContact SG-NE2 2.97Å; C39-H49 VanDerWaalsContact SG-NE2 3.45Å
40A91.9Very high88.5Confident65 Ų6567.5 Ų67.554%0.53736%0.362SS..  trans54.23.1-171.800000116R35 C36R35-A40 WeakPolarHBondContact CD-O 3.43Å; R35-A40 PolarHBondContact NH1-O 3.04Å; C36-A40 VanDerWaalsContact O-CA 3.3Å; C36-A40 WeakPolarHBondContact O-CA 3.46Å; C36-A40 PolarHBondContact O-N 3.34Å
41G89.9Confident89.1Confident5 Ų565 Ų655%0.05235%0.35CS..  trans-65151174.600000112.5C36 C39 E45C36-G41 PolarHBondContact N-O 3.44Å; C39-G41 PolarHBondContact O-N 3.4Å; C39-G41 PolarHBondContact SG-N 3.42Å; C39-G41 VanDerWaalsContact SG-N 3.4Å; G41-E45 WeakPolarHBondContact CA-OE2 3.45Å
42N88.8Confident89.8Confident19 Ų1963.1 Ų63.110%0.10234%0.338CS..  trans-76.8-174.7167.185.4-6.1000111.2A44 E45 C46 P1675N42-A44 PolarHBondContact O-N 3.17Å; N42-A44 VanDerWaalsContact O-N 3.16Å; N42-A44 WeakPolarHBondContact OD1-CA 3.45Å; N42-A44 PolarHBondContact OD1-N 3.04Å; N42-E45 PolarHBondContact N-OE2 3.03Å; N42-E45 PolarHBondContact O-N 3.15Å; N42-E45 PolarHBondContact OD1-N 3.06Å; N42-C46 WeakPolarHBondContact O-CB 3.39Å; N42-C46 PolarHBondContact O-N 3.34Å; N42-P1675 HydrophobicContact CB-CB 4.38Å; N42-P1675 VanDerWaalsContact ND2-CB 3.3Å; N42-P1675 WeakPolarHBondContact ND2-CB 3.43Å
43I87.1Confident90.5Very high77 Ų7757.5 Ų57.540%0.39532%0.317SS..THydrogen-bonded Turntrans-64.3-14.7-178-162.6166.6000115.4V29V29-I43 HydrophobicContact CG1-CB 4.17Å
44A85.3Confident91Very high83 Ų8352.7 Ų52.769%0.68630%0.297SS*.THydrogen-bonded Turntrans-101.9-33.4176.100000112.8N42N42-A44 PolarHBondContact O-N 3.17Å; N42-A44 VanDerWaalsContact O-N 3.16Å; N42-A44 WeakPolarHBondContact OD1-CA 3.45Å; N42-A44 PolarHBondContact OD1-N 3.04Å
45E89Confident91.7Very high55 Ų5552.5 Ų52.526%0.25729%0.291SS..THydrogen-bonded Turntrans-76-37.5175.3-63.9171.6115.600112.8R35 G41 N42 P47 G1674 P1675R35-E45 IonicContact CZ-OE2 2.77Å; R35-E45 IonicContact NH1-OE2 3.4Å; R35-E45 PolarHBondContact NH1-OE2 3.13Å; G41-E45 WeakPolarHBondContact CA-OE2 3.45Å; N42-E45 PolarHBondContact N-OE2 3.03Å; N42-E45 PolarHBondContact O-N 3.15Å; N42-E45 PolarHBondContact OD1-N 3.06Å; E45-P47 VanDerWaalsContact O-CD 3.28Å; E45-P47 WeakPolarHBondContact O-CD 3.5Å; E45-G1674 WeakPolarHBondContact OE1-CA 3.33Å; E45-P1675 HydrophobicContact CG-CB 3.77Å; E45-P1675 HydrophobicContact CG-CG 4.48Å; E45-P1675 WeakPolarHBondContact OE1-CD 3.34Å; E45-P1675 WeakPolarHBondContact OE1-CG 3.37Å; E45-P1675 VanDerWaalsContact OE2-CB 3.3Å; E45-P1675 WeakPolarHBondContact OE2-CB 3.39Å; E45-P1675 WeakPolarHBondContact OE2-CG 3.3Å
46C91.1Very high91.9Very high13 Ų1348.1 Ų48.19%0.08828%0.28CS..  trans-75.5116.4-171.7-176.40000110.2V29 C36 C39 N42 G48V29-C46 HydrophobicContact CG1-CB 4.23Å; C36-C46 HydrophobicContact CB-CB 4.23Å; C36-C46 VanDerWaalsContact SG-SG 3.63Å; C39-C46 VanDerWaalsContact SG-SG 3.65Å; N42-C46 WeakPolarHBondContact O-CB 3.39Å; N42-C46 PolarHBondContact O-N 3.34Å; C46-G48 PolarHBondContact O-N 3.4Å; C46-G48 VanDerWaalsContact O-N 3.13Å; C46-G48 PolarHBondContact SG-N 2.77Å; C46-G48 VanDerWaalsContact SG-N 3.38Å
47P90.7Very high92Very high96 Ų9649.9 Ų49.962%0.62329%0.287SS*.  trans-69.4-9.3174.731-36.1000112.4E45E45-P47 VanDerWaalsContact O-CD 3.28Å; E45-P47 WeakPolarHBondContact O-CD 3.5Å
48G91.9Very high92.2Very high11 Ų1145.5 Ų45.511%0.11327%0.268CS..  trans76.1159.9-163.300000111.8Q27 C46Q27-G48 WeakPolarHBondContact O-CA 3.11Å; C46-G48 PolarHBondContact O-N 3.4Å; C46-G48 VanDerWaalsContact O-N 3.13Å; C46-G48 PolarHBondContact SG-N 2.77Å; C46-G48 VanDerWaalsContact SG-N 3.38Å
49H94.5Very high92.3Very high34 Ų3442.3 Ų42.316%0.15725%0.249CC..  trans-130.1130.5-177.9-47.9-75.8000110.6V3 R26 Q27 C36 C39V3-H49 HydrophobicContact CB-CB 4.38Å; V3-H49 HydrophobicContact CG1-CB 3.58Å; V3-H49 HydrophobicContact CG2-CB 3.87Å; R26-H49 PolarHBondContact O-CD2 3.16Å; R26-H49 VanDerWaalsContact O-CD2 3.25Å; Q27-H49 WeakPolarHBondContact CA-O 3.19Å; Q27-H49 PolarHBondContact O-N 3.31Å; C36-H49 PolarHBondContact SG-CD2 2.83Å; C36-H49 PolarHBondContact SG-NE2 3.07Å; C36-H49 VanDerWaalsContact SG-NE2 3.4Å; C39-H49 PolarHBondContact SG-NE2 2.97Å; C39-H49 VanDerWaalsContact SG-NE2 3.45Å
50F95.5Very high92.4Very high106 Ų10640 Ų4047%0.46523%0.233SC..  trans-63.6142180-80.3-96.6000110.9S2 V3 P220 V221 P222 P223S2-F50 CarbonylContact C-O 3.59Å; S2-F50 VanDerWaalsContact CA-O 3.27Å; S2-F50 WeakPolarHBondContact CA-O 3.49Å; V3-F50 PolarHBondContact N-O 2.77Å; F50-P220 HydrophobicContact CD1-CB 4.39Å; F50-V221 WeakPolarHBondContact CD1-O 3.32Å; F50-P222 HydrophobicContact CE1-CB 4.16Å; F50-P223 HydrophobicContact CD2-CG 4.45Å; F50-P223 HydrophobicContact CE2-CG 4.37Å
51A94.6Very high92.5Very high2 Ų238.5 Ų38.52%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-107.5-172.7163.300000109.5S2 G4 V6 Q27 V221S2-A51 WeakPolarHBondContact OG-CA 3.27Å; G4-A51 WeakPolarHBondContact O-CB 3.47Å; V6-A51 HydrophobicContact CG2-CB 3.78Å; Q27-A51 HydrophobicContact CG-CB 3.76Å; A51-V221 HydrophobicContact CB-CB 4.13Å; A51-V221 PolarHBondContact N-O 3.48Å; A51-V221 PolarHBondContact O-N 3.38Å
52H95.2Very high92.5Very high47 Ų4739 Ų3922%0.21822%0.217CC..EExtended strand (participates in β ladder)trans-143.6157.1175.369.4-28.2000112.2S2 G4 V6 V218 L219S2-H52 PolarHBondContact OG-N 2.76Å; S2-H52 PolarHBondContact OG-ND1 2.69Å; G4-H52 PolarHBondContact O-N 2.95Å; G4-H52 VanDerWaalsContact O-N 3.09Å; G4-H52 PolarHBondContact O-ND1 3.4Å; V6-H52 PolarHBondContact N-O 3.39Å; H52-V218 HydrophobicContact CB-CG1 3.78Å; H52-L219 WeakPolarHBondContact CA-O 3.45Å
53L94.9Very high92.6Very high3 Ų339.4 Ų39.42%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-122122.5169.5172.267.1000107.9V6 L55 L219 V221 I249 V250V6-L53 VanDerWaalsContact O-CD1 3.24Å; V6-L53 WeakPolarHBondContact O-CD1 3.29Å; L53-L55 HydrophobicContact CD2-CD2 4.13Å; L53-L55 HydrophobicContact CG-CD2 4.32Å; L53-L219 HydrophobicContact CB-CB 4.44Å; L53-L219 HydrophobicContact CD2-CD2 4.48Å; L53-L219 PolarHBondContact N-O 3.25Å; L53-L219 PolarHBondContact O-N 3.48Å; L53-V221 HydrophobicContact CB-CG2 4.17Å; L53-I249 HydrophobicContact CD2-CG2 3.62Å; L53-V250 HydrophobicContact CD1-CG2 4.24Å; L53-V250 HydrophobicContact CD2-CG2 3.94Å
54E94.8Very high92.9Very high99 Ų9937.3 Ų37.346%0.46321%0.209SC..EExtended strand (participates in β ladder)trans-74.2126.8169.6-65.8174.5166.400109.2L5 N253L5-E54 HydrophobicContact CD1-CB 4.38Å; L5-E54 HydrophobicContact CD1-CG 3.88Å; E54-N253 PolarHBondContact O-ND2 2.91Å
55L94.8Very high93.1Very high17 Ų1733.3 Ų33.39%0.08918%0.176CC..EExtended strand (participates in β ladder)trans-89.3129.9179.5-58.9176000109.5L53 K57 V59 L216 Q217 L219 N253 L276L53-L55 HydrophobicContact CD2-CD2 4.13Å; L53-L55 HydrophobicContact CG-CD2 4.32Å; L55-K57 WeakPolarHBondContact CB-O 3.26Å; L55-K57 PolarHBondContact O-N 2.99Å; L55-V59 HydrophobicContact CD1-CB 4.14Å; L55-V59 HydrophobicContact CD1-CG2 3.96Å; L55-L216 HydrophobicContact CD1-CB 3.87Å; L55-Q217 PolarHBondContact N-O 2.64Å; L55-L219 HydrophobicContact CD1-CB 4.35Å; L55-L219 HydrophobicContact CD2-CB 4.22Å; L55-L219 HydrophobicContact CG-CB 4.35Å; L55-N253 WeakPolarHBondContact CA-OD1 3.39Å; L55-L276 HydrophobicContact CD2-CD1 4.41Å
56C93.2Very high93.1Very high37 Ų3734.5 Ų34.525%0.2519%0.19CC..EExtended strand (participates in β ladder)trans-62.9-29.3-178.1-159.50000112.4N253 L256 K257 E260C56-N253 PolarHBondContact N-OD1 2.98Å; C56-L256 HydrophobicContact CB-CD2 4.08Å; C56-L256 HydrophobicContact CB-CG 4.08Å; C56-K257 HydrophobicContact CB-CB 4.18Å; C56-K257 WeakPolarHBondContact SG-CA 3.27Å; C56-E260 PolarHBondContact SG-OE2 2.67Å; C56-E260 VanDerWaalsContact SG-OE2 3.34Å
57K93.3Very high93.2Very high41 Ų4135.1 Ų35.118%0.17819%0.191CC..EExtended strand (participates in β ladder)trans-130.6145.7169.9-68.4-70.4171.6-167.20110L55 V59 E185 L256 E260 V273L55-K57 WeakPolarHBondContact CB-O 3.26Å; L55-K57 PolarHBondContact O-N 2.99Å; K57-V59 WeakPolarHBondContact O-CG2 3.28Å; K57-E185 WeakPolarHBondContact CD-OE1 3.35Å; K57-E185 IonicContact NZ-OE1 2.71Å; K57-E185 PolarHBondContact NZ-OE1 3.02Å; K57-L256 HydrophobicContact CB-CD2 4.1Å; K57-L256 HydrophobicContact CG-CD2 3.85Å; K57-E260 VanDerWaalsContact CE-CD 3.43Å; K57-E260 WeakPolarHBondContact CE-OE1 3.34Å; K57-E260 VanDerWaalsContact CE-OE2 3.23Å; K57-E260 WeakPolarHBondContact CE-OE2 3.49Å; K57-E260 IonicContact NZ-OE1 3.88Å; K57-E260 PolarHBondContact NZ-OE1 3.28Å; K57-E260 IonicContact NZ-OE2 2.73Å; K57-V273 HydrophobicContact CB-CG2 3.98Å; K57-V273 HydrophobicContact CG-CG2 3.74Å
58P94.7Very high93.3Very high22 Ų2230.5 Ų30.514%0.14316%0.161CC..EExtended strand (participates in β ladder)trans-55.5145.3170-25.234.1000112.6A184 E185 L188 I215 L216 Q217P58-A184 HydrophobicContact CB-CB 4.19Å; P58-A184 VanDerWaalsContact O-CB 3.31Å; P58-A184 WeakPolarHBondContact O-CB 3.37Å; P58-E185 HydrophobicContact CG-CG 3.78Å; P58-L188 HydrophobicContact CB-CD2 4.23Å; P58-L188 HydrophobicContact CG-CD2 3.95Å; P58-I215 HydrophobicContact CB-CG2 3.73Å; P58-L216 CarbonylContact C-O 3.59Å; P58-L216 VanDerWaalsContact CA-O 3.31Å; P58-L216 WeakPolarHBondContact CA-O 3.48Å; P58-Q217 HydrophobicContact CB-CG 4.42Å; P58-Q217 HydrophobicContact CG-CG 4.24Å
59V94.3Very high93.4Very high1 Ų130.9 Ų30.91%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-131.7136.7-175.3177.80000110.8L55 K57 H61 L216 L276 Q277 V280L55-V59 HydrophobicContact CD1-CB 4.14Å; L55-V59 HydrophobicContact CD1-CG2 3.96Å; K57-V59 WeakPolarHBondContact O-CG2 3.28Å; V59-H61 PolarHBondContact O-N 3.06Å; V59-L216 PolarHBondContact N-O 2.88Å; V59-L216 PolarHBondContact O-N 2.59Å; V59-L276 HydrophobicContact CG2-CD2 4.12Å; V59-L276 HydrophobicContact CG2-CG 4.17Å; V59-Q277 HydrophobicContact CG1-CB 4.24Å; V59-Q277 HydrophobicContact CG1-CG 4.47Å; V59-Q277 VanDerWaalsContact CG1-NE2 3.34Å; V59-V280 HydrophobicContact CG1-CB 3.98Å; V59-V280 HydrophobicContact CG1-CG1 3.93Å; V59-V280 HydrophobicContact CG1-CG2 4.36Å
60F94.5Very high93.3Very high8 Ų832 Ų324%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-68126.3175.9-61.9-65.9000111V62 F65 I68 I164 A184 V187 I215 Q277F60-V62 PolarHBondContact O-N 2.83Å; F60-F65 HydrophobicContact CB-CD2 3.98Å; F60-F65 HydrophobicContact CB-CE2 4.02Å; F60-F65 AromaticContact CD2-CE2 3.95Å; F60-F65 HydrophobicContact CD2-CE2 3.95Å; F60-F65 HydrophobicContact CG-CD2 4.4Å; F60-F65 HydrophobicContact CG-CE2 4.06Å; F60-I68 HydrophobicContact CD1-CD1 4.09Å; F60-I164 HydrophobicContact CE1-CD1 4.29Å; F60-I164 HydrophobicContact CZ-CD1 4.18Å; F60-A184 HydrophobicContact CD1-CB 4.2Å; F60-A184 HydrophobicContact CD2-CB 4.21Å; F60-A184 HydrophobicContact CE1-CB 3.99Å; F60-A184 HydrophobicContact CE2-CB 4Å; F60-A184 HydrophobicContact CG-CB 4.31Å; F60-A184 HydrophobicContact CZ-CB 3.89Å; F60-V187 HydrophobicContact CE1-CB 3.99Å; F60-V187 HydrophobicContact CE1-CG1 4.29Å; F60-V187 HydrophobicContact CE1-CG2 3.91Å; F60-V187 HydrophobicContact CZ-CB 4.45Å; F60-V187 HydrophobicContact CZ-CG2 3.94Å; F60-I215 HydrophobicContact CD1-CG1 4.19Å; F60-I215 HydrophobicContact CE1-CD1 4.37Å; F60-Q277 VanDerWaalsContact CB-OE1 3.32Å; F60-Q277 PolarHBondContact O-NE2 3.31Å
61H93.7Very high93.2Very high33 Ų3326.9 Ų26.915%0.15314%0.143CC..  trans-72.3110171.1-174.8-94.5000109.8V59 S63 F64 F65 M214 L216V59-H61 PolarHBondContact O-N 3.06Å; H61-S63 PolarHBondContact O-N 3.31Å; H61-F64 HydrophobicContact CB-CD2 3.78Å; H61-F64 HydrophobicContact CB-CE2 4.44Å; H61-F64 AromaticContact CE1-CD2 3.92Å; H61-F64 AromaticContact CE1-CE2 3.67Å; H61-F64 AromaticContact CG-CD2 3.62Å; H61-F64 AromaticContact CG-CE2 3.9Å; H61-F64 AromaticContact ND1-CD2 3.09Å; H61-F64 WeakPolarHBondContact ND1-CD2 3.19Å; H61-F64 AromaticContact ND1-CE2 3.3Å; H61-F64 VanDerWaalsContact ND1-CE2 3.3Å; H61-F64 WeakPolarHBondContact ND1-CE2 3.23Å; H61-F64 AromaticContact ND1-CG 3.67Å; H61-F64 PolarHBondContact O-N 3.22Å; H61-F65 PolarHBondContact O-N 2.85Å; H61-M214 VanDerWaalsContact CB-O 3.31Å; H61-M214 WeakPolarHBondContact CB-O 3.36Å; H61-M214 PolarHBondContact N-O 3.21Å; H61-L216 HydrophobicContact CB-CD1 4.49Å; H61-L216 HydrophobicContact CB-CG 4.2Å
62V91.5Very high93.1Very high16 Ų1626.9 Ų26.910%0.09714%0.142CC..G310 helixtrans-54.2-34-167.366.90000114.4F60 F64 F65 L162 A281 I284 D285 I288F60-V62 PolarHBondContact O-N 2.83Å; V62-F64 VanDerWaalsContact C-N 3.33Å; V62-F64 PolarHBondContact O-N 3.48Å; V62-F65 WeakPolarHBondContact O-CB 3.28Å; V62-F65 PolarHBondContact O-N 2.87Å; V62-L162 HydrophobicContact CG2-CD2 4.09Å; V62-A281 HydrophobicContact CB-CB 3.99Å; V62-A281 HydrophobicContact CG1-CB 4.29Å; V62-A281 HydrophobicContact CG2-CB 4.26Å; V62-I284 HydrophobicContact CG1-CB 3.93Å; V62-I284 HydrophobicContact CG1-CD1 4.18Å; V62-I284 HydrophobicContact CG1-CG2 3.97Å; V62-D285 HydrophobicContact CG1-CB 4.41Å; V62-I288 HydrophobicContact CG2-CD1 3.8Å; V62-I288 HydrophobicContact CG2-CG1 4.23Å
63S90.5Very high93.1Very high26 Ų2628.5 Ų28.518%0.18215%0.147CC..G310 helixtrans-66.9-30.3177.8-54.50000113.9H61H61-S63 PolarHBondContact O-N 3.31Å
64F92.4Very high93Very high33 Ų3328.4 Ų28.415%0.14515%0.146CC..G310 helixtrans-92.7-7-176.5-59.9-44.7000113.1H61 V62 S66 K67 I68 M214 I1382 C1386H61-F64 HydrophobicContact CB-CD2 3.78Å; H61-F64 HydrophobicContact CB-CE2 4.44Å; H61-F64 AromaticContact CE1-CD2 3.92Å; H61-F64 AromaticContact CE1-CE2 3.67Å; H61-F64 AromaticContact CG-CD2 3.62Å; H61-F64 AromaticContact CG-CE2 3.9Å; H61-F64 AromaticContact ND1-CD2 3.09Å; H61-F64 WeakPolarHBondContact ND1-CD2 3.19Å; H61-F64 AromaticContact ND1-CE2 3.3Å; H61-F64 VanDerWaalsContact ND1-CE2 3.3Å; H61-F64 WeakPolarHBondContact ND1-CE2 3.23Å; H61-F64 AromaticContact ND1-CG 3.67Å; H61-F64 PolarHBondContact O-N 3.22Å; V62-F64 VanDerWaalsContact C-N 3.33Å; V62-F64 PolarHBondContact O-N 3.48Å; F64-S66 PolarHBondContact O-N 3.27Å; F64-K67 CarbonylContact O-C 3.55Å; F64-K67 WeakPolarHBondContact O-CA 3.48Å; F64-K67 WeakPolarHBondContact O-CB 3.12Å; F64-K67 PolarHBondContact O-N 3.05Å; F64-I68 HydrophobicContact CB-CD1 4.33Å; F64-I68 HydrophobicContact CB-CG1 4.37Å; F64-I68 WeakPolarHBondContact O-CG1 3.43Å; F64-I68 PolarHBondContact O-N 2.8Å; F64-M214 HydrophobicContact CB-CB 3.92Å; F64-M214 HydrophobicContact CB-CG 4.07Å; F64-M214 HydrophobicContact CB-SD 3.98Å; F64-M214 HydrophobicContact CD2-CB 4.02Å; F64-M214 HydrophobicContact CD2-CG 4.07Å; F64-M214 HydrophobicContact CG-CB 4.25Å; F64-M214 HydrophobicContact CG-CG 4.12Å; F64-M214 HydrophobicContact CG-SD 4.36Å; F64-I1382 HydrophobicContact CD1-CG2 3.81Å; F64-I1382 HydrophobicContact CE1-CG2 3.76Å; F64-C1386 WeakPolarHBondContact CD1-SG 3.35Å; F64-C1386 VanDerWaalsContact CE1-SG 3.58Å
65F90Very high92.9Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-49-40.1-176.2-149.3-75.8000113.8F60 H61 V62 K67 L69 R159 L162 I164F60-F65 HydrophobicContact CB-CD2 3.98Å; F60-F65 HydrophobicContact CB-CE2 4.02Å; F60-F65 AromaticContact CD2-CE2 3.95Å; F60-F65 HydrophobicContact CD2-CE2 3.95Å; F60-F65 HydrophobicContact CG-CD2 4.4Å; F60-F65 HydrophobicContact CG-CE2 4.06Å; H61-F65 PolarHBondContact O-N 2.85Å; V62-F65 WeakPolarHBondContact O-CB 3.28Å; V62-F65 PolarHBondContact O-N 2.87Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 3.1Å; F65-L69 HydrophobicContact CD1-CD1 3.71Å; F65-L69 HydrophobicContact CD1-CG 4.27Å; F65-L69 HydrophobicContact CE1-CD1 3.92Å; F65-L69 HydrophobicContact CE1-CG 4.39Å; F65-L69 WeakPolarHBondContact O-CG 3.41Å; F65-L69 PolarHBondContact O-N 2.73Å; F65-L69 VanDerWaalsContact O-N 3.09Å; F65-R159 HydrophobicContact CD1-CG 4.25Å; F65-R159 HydrophobicContact CE1-CB 4.26Å; F65-R159 HydrophobicContact CE1-CG 3.6Å; F65-R159 HydrophobicContact CZ-CG 4.35Å; F65-L162 WeakPolarHBondContact CE2-O 3.32Å; F65-L162 WeakPolarHBondContact CZ-O 3.48Å; F65-I164 HydrophobicContact CE1-CD1 3.97Å; F65-I164 HydrophobicContact CE1-CG1 3.52Å; F65-I164 HydrophobicContact CE2-CG1 4.48Å; F65-I164 HydrophobicContact CZ-CD1 4.04Å; F65-I164 HydrophobicContact CZ-CG1 3.47Å; F65-I164 VanDerWaalsContact CZ-CG1 3.47Å
66S90Very high92.7Very high79 Ų7922.9 Ų22.955%0.55212%0.12SC*.Hα-helixtrans-72.9-21.4177.7-57.50000114.3F64F64-S66 PolarHBondContact O-N 3.27Å
67K91.7Very high92.6Very high26 Ų2622.4 Ų22.411%0.11311%0.113CC..Hα-helixtrans-86.9-43.3172.7-65.4-92.1-175.3177.20110.3F64 F65 L69 K70 I71 L106 M214 E1383 C1386 H1387F64-K67 CarbonylContact O-C 3.55Å; F64-K67 WeakPolarHBondContact O-CA 3.48Å; F64-K67 WeakPolarHBondContact O-CB 3.12Å; F64-K67 PolarHBondContact O-N 3.05Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 3.1Å; K67-L69 VanDerWaalsContact C-N 3.29Å; K67-L69 PolarHBondContact O-N 2.84Å; K67-K70 WeakPolarHBondContact O-CA 3.5Å; K67-K70 WeakPolarHBondContact O-CB 3.33Å; K67-K70 PolarHBondContact O-N 2.94Å; K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 2.59Å; K67-L106 HydrophobicContact CD-CD2 3.95Å; K67-M214 HydrophobicContact CB-SD 4.13Å; K67-E1383 IonicContact NZ-OE1 3.82Å; K67-E1383 PolarHBondContact NZ-OE1 3.35Å; K67-C1386 HydrophobicContact CD-CB 4.28Å; K67-H1387 PolarHBondContact NZ-NE2 2.86Å
68I93.8Very high92.3Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-49.9-49.3171.9-64.4174.1000110.6F60 F64 K70 I71 L72 I164 V187 F191 M214 I215F60-I68 HydrophobicContact CD1-CD1 4.09Å; F64-I68 HydrophobicContact CB-CD1 4.33Å; F64-I68 HydrophobicContact CB-CG1 4.37Å; F64-I68 WeakPolarHBondContact O-CG1 3.43Å; F64-I68 PolarHBondContact O-N 2.8Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 2.93Å; I68-I71 PolarHBondContact O-N 2.85Å; I68-L72 HydrophobicContact CG2-CD1 4.16Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 PolarHBondContact O-N 3.48Å; I68-I164 HydrophobicContact CG2-CD1 4.14Å; I68-V187 HydrophobicContact CG2-CG1 3.93Å; I68-F191 HydrophobicContact CB-CE2 4.36Å; I68-F191 HydrophobicContact CB-CZ 4.4Å; I68-F191 HydrophobicContact CG1-CE2 4.21Å; I68-F191 HydrophobicContact CG2-CE2 3.94Å; I68-F191 HydrophobicContact CG2-CZ 3.86Å; I68-M214 HydrophobicContact CD1-CB 3.94Å; I68-M214 HydrophobicContact CG1-CB 3.84Å; I68-M214 HydrophobicContact CG1-SD 4.12Å; I68-I215 HydrophobicContact CD1-CG1 4.43Å
69L93Very high92.1Very high18 Ų1825 Ų259%0.09413%0.128CC..Hα-helixtrans-63.9-23.9176.2-76.7166000114.9F65 K67 R73 R159 I164F65-L69 HydrophobicContact CD1-CD1 3.71Å; F65-L69 HydrophobicContact CD1-CG 4.27Å; F65-L69 HydrophobicContact CE1-CD1 3.92Å; F65-L69 HydrophobicContact CE1-CG 4.39Å; F65-L69 WeakPolarHBondContact O-CG 3.41Å; F65-L69 PolarHBondContact O-N 2.73Å; F65-L69 VanDerWaalsContact O-N 3.09Å; K67-L69 VanDerWaalsContact C-N 3.29Å; K67-L69 PolarHBondContact O-N 2.84Å; L69-R73 VanDerWaalsContact O-CD 3.26Å; L69-R73 WeakPolarHBondContact O-CD 3.47Å; L69-R73 VanDerWaalsContact O-CG 3.32Å; L69-R73 WeakPolarHBondContact O-CG 3.26Å; L69-R159 HydrophobicContact CD1-CB 3.95Å; L69-I164 HydrophobicContact CD2-CD1 3.88Å; L69-I164 HydrophobicContact CD2-CG1 3.99Å; L69-I164 HydrophobicContact CD2-CG2 3.83Å; L69-I164 HydrophobicContact CG-CD1 4.17Å
70K92.7Very high91.9Very high57 Ų5725.5 Ų25.525%0.24813%0.131CC..Hα-helixtrans-78-48.3171.6-75.8-168.6172.2-164.30110.6K67 I68 L72 R73 C74 Y110K67-K70 WeakPolarHBondContact O-CA 3.5Å; K67-K70 WeakPolarHBondContact O-CB 3.33Å; K67-K70 PolarHBondContact O-N 2.94Å; I68-K70 VanDerWaalsContact C-N 3.28Å; I68-K70 PolarHBondContact O-N 2.93Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 2.93Å; K70-R73 CarbonylContact O-C 3.57Å; K70-R73 WeakPolarHBondContact O-CA 3.37Å; K70-R73 WeakPolarHBondContact O-CB 3.37Å; K70-R73 PolarHBondContact O-N 3.02Å; K70-C74 PolarHBondContact O-N 2.88Å; K70-C74 PolarHBondContact O-SG 2.94Å; K70-Y110 HydrophobicContact CB-CD2 3.83Å; K70-Y110 HydrophobicContact CB-CE2 4.16Å; K70-Y110 HydrophobicContact CD-CD2 4.28Å; K70-Y110 HydrophobicContact CD-CG 4.28Å; K70-Y110 HydrophobicContact CG-CD2 3.8Å; K70-Y110 HydrophobicContact CG-CE2 3.83Å; K70-Y110 HydrophobicContact CG-CG 4.3Å
71I93.6Very high91.6Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-58.2-47.3-179.8-57.9163.3000110.3K67 I68 R73 C74 V75 F191 I194 L202 M204 P211 M214K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 2.59Å; I68-I71 PolarHBondContact O-N 2.85Å; I71-R73 PolarHBondContact O-N 3.07Å; I71-R73 VanDerWaalsContact O-N 3.11Å; I71-C74 WeakPolarHBondContact O-CA 3.41Å; I71-C74 WeakPolarHBondContact O-CB 3.41Å; I71-C74 PolarHBondContact O-N 2.85Å; I71-V75 HydrophobicContact CG2-CG1 4.5Å; I71-V75 PolarHBondContact O-N 2.81Å; I71-V75 VanDerWaalsContact O-N 3.11Å; I71-F191 HydrophobicContact CB-CE1 3.94Å; I71-F191 HydrophobicContact CB-CZ 3.78Å; I71-F191 HydrophobicContact CD1-CE2 4.4Å; I71-F191 HydrophobicContact CD1-CZ 4.29Å; I71-F191 HydrophobicContact CG2-CD1 4.08Å; I71-F191 HydrophobicContact CG2-CE1 3.48Å; I71-F191 VanDerWaalsContact CG2-CE1 3.48Å; I71-F191 HydrophobicContact CG2-CZ 3.78Å; I71-I194 HydrophobicContact CG2-CD1 3.87Å; I71-L202 HydrophobicContact CG2-CD1 4.22Å; I71-M204 HydrophobicContact CD1-CE 3.87Å; I71-M204 HydrophobicContact CD1-SD 4.12Å; I71-M204 HydrophobicContact CG1-CE 4.16Å; I71-P211 HydrophobicContact CD1-CB 4.09Å; I71-P211 HydrophobicContact CD1-CG 4.44Å; I71-P211 HydrophobicContact CG2-CB 4.43Å; I71-M214 HydrophobicContact CD1-CE 4.05Å; I71-M214 HydrophobicContact CD1-SD 3.88Å
72L93.7Very high91.4Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..THydrogen-bonded Turntrans-56-27.1175.1-82.7173.5000114.2I68 K70 Y157 I164 V187 I190 F191I68-L72 HydrophobicContact CG2-CD1 4.16Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 PolarHBondContact O-N 3.48Å; K70-L72 VanDerWaalsContact C-N 3.35Å; K70-L72 PolarHBondContact O-N 2.93Å; L72-Y157 HydrophobicContact CB-CD1 4.36Å; L72-Y157 HydrophobicContact CB-CD2 4.2Å; L72-Y157 HydrophobicContact CB-CE1 4.11Å; L72-Y157 HydrophobicContact CB-CE2 3.96Å; L72-Y157 HydrophobicContact CB-CG 4.38Å; L72-Y157 HydrophobicContact CD1-CD1 4.14Å; L72-Y157 HydrophobicContact CD1-CE1 4.08Å; L72-Y157 HydrophobicContact CD2-CE1 4.03Å; L72-Y157 HydrophobicContact CG-CE1 4.32Å; L72-Y157 WeakPolarHBondContact O-CE2 3.45Å; L72-Y157 PolarHBondContact O-OH 3.21Å; L72-I164 HydrophobicContact CD1-CD1 4.14Å; L72-V187 HydrophobicContact CD1-CG1 3.98Å; L72-V187 HydrophobicContact CD1-CG2 4.05Å; L72-V187 HydrophobicContact CD2-CG1 4.1Å; L72-V187 HydrophobicContact CG-CG1 4.17Å; L72-I190 HydrophobicContact CD2-CD1 4.31Å; L72-I190 HydrophobicContact CD2-CG2 4.34Å; L72-F191 HydrophobicContact CD2-CE1 3.96Å; L72-F191 HydrophobicContact CG-CE1 3.89Å; L72-F191 HydrophobicContact CG-CZ 4.04Å
73R93.4Very high91.2Very high82 Ų8227.3 Ų27.331%0.30914%0.138SC..THydrogen-bonded Turntrans-90.3-6.4176-69.2170.1178.8174.32.9113.4L69 K70 I71 Y110 Y157L69-R73 VanDerWaalsContact O-CD 3.26Å; L69-R73 WeakPolarHBondContact O-CD 3.47Å; L69-R73 VanDerWaalsContact O-CG 3.32Å; L69-R73 WeakPolarHBondContact O-CG 3.26Å; K70-R73 CarbonylContact O-C 3.57Å; K70-R73 WeakPolarHBondContact O-CA 3.37Å; K70-R73 WeakPolarHBondContact O-CB 3.37Å; K70-R73 PolarHBondContact O-N 3.02Å; I71-R73 PolarHBondContact O-N 3.07Å; I71-R73 VanDerWaalsContact O-N 3.11Å; R73-Y110 HydrophobicContact CB-CD2 4.35Å; R73-Y110 HydrophobicContact CB-CE2 3.97Å; R73-Y110 PolarHBondContact NH1-OH 2.86Å; R73-Y157 HydrophobicContact CG-CD2 3.78Å; R73-Y157 HydrophobicContact CG-CE2 4.47Å; R73-Y157 PolarHBondContact NH2-O 3.41Å
74C92.6Very high90.9Very high0 Ų026.4 Ų26.40%013%0.131CC..THydrogen-bonded Turntrans-99-24.9174.1-59.40000113K70 I71 V82 L83 Y110 C113 L202K70-C74 PolarHBondContact O-N 2.88Å; K70-C74 PolarHBondContact O-SG 2.94Å; I71-C74 WeakPolarHBondContact O-CA 3.41Å; I71-C74 WeakPolarHBondContact O-CB 3.41Å; I71-C74 PolarHBondContact O-N 2.85Å; C74-V82 CarbonylContact O-C 3.55Å; C74-V82 WeakPolarHBondContact O-CA 3.49Å; C74-L83 PolarHBondContact O-N 2.86Å; C74-Y110 VanDerWaalsContact SG-CA 3.59Å; C74-C113 HydrophobicContact CB-CB 4.31Å; C74-L202 HydrophobicContact CB-CD2 3.5Å
75V92.7Very high90.2Very high0 Ų026.8 Ų26.80%014%0.135CC..BIsolated β-bridgetrans-110.9152.6-176.1-55.40000112.6I71 S80 K81 V82 I190 I194 L202I71-V75 HydrophobicContact CG2-CG1 4.5Å; I71-V75 PolarHBondContact O-N 2.81Å; I71-V75 VanDerWaalsContact O-N 3.11Å; V75-S80 WeakPolarHBondContact CB-O 3.37Å; V75-K81 CarbonylContact C-O 3.56Å; V75-K81 WeakPolarHBondContact CA-O 3.46Å; V75-V82 HydrophobicContact CG1-CG2 4.09Å; V75-I190 HydrophobicContact CG2-CG2 3.87Å; V75-I194 HydrophobicContact CG1-CD1 3.94Å; V75-I194 HydrophobicContact CG1-CG1 4.16Å; V75-I194 HydrophobicContact CG2-CD1 4.44Å; V75-L202 HydrophobicContact CG1-CD1 4.23Å
76C92Very high89.7Confident0 Ų031.7 Ų31.70%015%0.153CC..  trans-69.5130.2176.8-1800000111.9H78 C79 S80 K81 L83 C119 Q154C76-H78 PolarHBondContact O-N 3.46Å; C76-H78 VanDerWaalsContact O-N 3.16Å; C76-H78 PolarHBondContact SG-N 2.95Å; C76-H78 VanDerWaalsContact SG-N 3.38Å; C76-C79 VanDerWaalsContact CB-SG 3.53Å; C76-S80 WeakPolarHBondContact O-CA 3.44Å; C76-S80 PolarHBondContact O-N 2.98Å; C76-K81 PolarHBondContact N-O 2.78Å; C76-L83 HydrophobicContact CB-CD2 3.91Å; C76-C119 HydrophobicContact CB-CB 4.08Å; C76-Q154 PolarHBondContact SG-NE2 2.87Å
77Y90.6Very high89.1Confident28 Ų2832.7 Ų32.711%0.1116%0.156CC..THydrogen-bonded Turntrans-57.7-26.8175.7178.7-89.4000114.1P155 W168 M182 R186 I190Y77-P155 HydrophobicContact CD2-CG 4.02Å; Y77-P155 HydrophobicContact CG-CG 4.24Å; Y77-W168 HydrophobicContact CD1-CH2 4.34Å; Y77-W168 AromaticContact CD1-CZ2 3.82Å; Y77-W168 HydrophobicContact CD1-CZ2 3.82Å; Y77-W168 HydrophobicContact CD2-CH2 4.27Å; Y77-W168 HydrophobicContact CD2-CZ2 4.16Å; Y77-W168 HydrophobicContact CE1-CH2 4.03Å; Y77-W168 AromaticContact CE1-CZ2 3.92Å; Y77-W168 HydrophobicContact CE1-CZ2 3.92Å; Y77-W168 AromaticContact CE2-CH2 3.93Å; Y77-W168 HydrophobicContact CE2-CH2 3.93Å; Y77-W168 HydrophobicContact CE2-CZ2 4.23Å; Y77-W168 HydrophobicContact CG-CH2 4.47Å; Y77-W168 AromaticContact CG-CZ2 3.96Å; Y77-W168 HydrophobicContact CG-CZ2 3.96Å; Y77-W168 AromaticContact CZ-CH2 3.82Å; Y77-M182 HydrophobicContact CD2-CE 4.39Å; Y77-M182 HydrophobicContact CE2-CE 3.75Å; Y77-M182 HydrophobicContact CE2-SD 3.72Å; Y77-R186 PolarHBondContact O-NH2 3.04Å; Y77-R186 PolarHBondContact OH-NE 3.2Å; Y77-I190 HydrophobicContact CD2-CD1 3.86Å; Y77-I190 HydrophobicContact CE2-CD1 4.06Å; Y77-I190 HydrophobicContact CG-CD1 4.49Å
78H88.2Confident88.7Confident73 Ų7333.3 Ų33.334%0.33816%0.164SC..THydrogen-bonded Turntrans-102.3-38.7-172.9-62.1-85.7000113.8C76 R152C76-H78 PolarHBondContact O-N 3.46Å; C76-H78 VanDerWaalsContact O-N 3.16Å; C76-H78 PolarHBondContact SG-N 2.95Å; C76-H78 VanDerWaalsContact SG-N 3.38Å; H78-R152 VanDerWaalsContact CG-CD 3.47Å
79C89.2Confident88.3Confident43 Ų4338.2 Ų38.229%0.29120%0.196SC..THydrogen-bonded Turntrans-122.47.1-173.770.40000115C76 K81 C150C76-C79 VanDerWaalsContact CB-SG 3.53Å; C79-K81 PolarHBondContact O-N 3.32Å; C79-C150 HydrophobicContact CB-CB 4.21Å
80S90.5Very high88.1Confident12 Ų1244.6 Ų44.68%0.08422%0.223CC..  trans58.3-8.3175.9-63.10000118.6V75 C76 I190 G193V75-S80 WeakPolarHBondContact CB-O 3.37Å; C76-S80 WeakPolarHBondContact O-CA 3.44Å; C76-S80 PolarHBondContact O-N 2.98Å; S80-I190 VanDerWaalsContact CB-O 3.3Å; S80-I190 WeakPolarHBondContact CB-O 3.47Å; S80-I190 WeakPolarHBondContact OG-CA 3.4Å; S80-I190 PolarHBondContact OG-O 3.38Å; S80-G193 VanDerWaalsContact CB-O 3.27Å; S80-G193 WeakPolarHBondContact CB-O 3.41Å
81K88Confident87.7Confident89 Ų8941.9 Ų41.939%0.38721%0.211SC..SBendtrans-63.2149.8171.9-64-175.9-177.6179.80111.7V75 C76 C79 G148 D198V75-K81 CarbonylContact C-O 3.56Å; V75-K81 WeakPolarHBondContact CA-O 3.46Å; C76-K81 PolarHBondContact N-O 2.78Å; C79-K81 PolarHBondContact O-N 3.32Å; K81-G148 WeakPolarHBondContact CD-O 3Å; K81-G148 PolarHBondContact NZ-O 3.41Å; K81-D198 WeakPolarHBondContact CA-OD2 3.48Å
82V88.6Confident87.4Confident2 Ų245.8 Ų45.81%0.01223%0.231CC..BIsolated β-bridgetrans-62.1138.4171.1169.60000110.9C74 V75 V84 D198 L201 L202C74-V82 CarbonylContact O-C 3.55Å; C74-V82 WeakPolarHBondContact O-CA 3.49Å; V75-V82 HydrophobicContact CG1-CG2 4.09Å; V82-V84 HydrophobicContact CG1-CG2 3.68Å; V82-V84 PolarHBondContact O-N 2.81Å; V82-D198 HydrophobicContact CG2-CB 3.86Å; V82-D198 PolarHBondContact N-OD2 2.84Å; V82-L201 HydrophobicContact CB-CD2 4.2Å; V82-L201 HydrophobicContact CG1-CD2 3.93Å; V82-L201 HydrophobicContact CG2-CD2 4.31Å; V82-L202 HydrophobicContact CG2-CD1 4.27Å; V82-L202 HydrophobicContact CG2-CD2 4.23Å; V82-L202 HydrophobicContact CG2-CG 4.09Å
83L88.7Confident87.2Confident5 Ų548.7 Ų48.73%0.02625%0.247CC..SBendtrans-73.48.9-173.3-67.6173.5000115.2C74 C76 K116 C119 Q154C74-L83 PolarHBondContact O-N 2.86Å; C76-L83 HydrophobicContact CB-CD2 3.91Å; L83-K116 HydrophobicContact CB-CB 4.34Å; L83-C119 HydrophobicContact CD2-CB 3.81Å; L83-Q154 HydrophobicContact CD1-CG 4.14Å; L83-Q154 HydrophobicContact CD2-CG 3.83Å
84V83.4Confident86.9Confident7 Ų745 Ų454%0.04223%0.234CC..SBendtrans-139.7138.6-177.9-64.40000110.2V82 V91 I112 K116V82-V84 HydrophobicContact CG1-CG2 3.68Å; V82-V84 PolarHBondContact O-N 2.81Å; V84-V91 HydrophobicContact CB-CG2 4Å; V84-V91 HydrophobicContact CG2-CG2 3.68Å; V84-I112 HydrophobicContact CG1-CG2 3.86Å; V84-K116 HydrophobicContact CG1-CG 4.12Å
85D78.6Confident86.7Confident41 Ų4147.9 Ų47.922%0.21925%0.248CC..  trans-71.7139.4177.7-175.324.3000112.3T87 S88 V91 F147D85-T87 PolarHBondContact O-N 2.97Å; D85-T87 PolarHBondContact OD1-N 3.14Å; D85-T87 VanDerWaalsContact OD2-CB 3.29Å; D85-T87 WeakPolarHBondContact OD2-CB 3.27Å; D85-T87 WeakPolarHBondContact OD2-CG2 3.18Å; D85-T87 PolarHBondContact OD2-N 2.89Å; D85-T87 PolarHBondContact OD2-OG1 2.87Å; D85-S88 WeakPolarHBondContact O-CB 3.46Å; D85-S88 PolarHBondContact O-N 2.89Å; D85-S88 VanDerWaalsContact O-N 3.14Å; D85-V91 WeakPolarHBondContact O-CG2 3.23Å; D85-F147 VanDerWaalsContact CA-CE2 3.44Å; D85-F147 HydrophobicContact CB-CB 4.48Å; D85-F147 HydrophobicContact CB-CD1 4.25Å; D85-F147 HydrophobicContact CB-CD2 3.53Å; D85-F147 HydrophobicContact CB-CE1 4.38Å; D85-F147 HydrophobicContact CB-CE2 3.72Å; D85-F147 HydrophobicContact CB-CG 3.82Å; D85-F147 HydrophobicContact CB-CZ 4.15Å; D85-F147 VanDerWaalsContact OD1-CD2 3.31Å; D85-F147 WeakPolarHBondContact OD1-CD2 3.46Å
86R78.6Confident86.4Confident102 Ų10252.4 Ų52.439%0.38528%0.276SS..THydrogen-bonded Turntrans-64-27.2175.3-58.2-177.2-170.9167.54112S88 E197 D198 L201R86-S88 VanDerWaalsContact C-N 3.31Å; R86-E197 IonicContact NH2-OE2 3.58Å; R86-D198 IonicContact CZ-OD1 2.76Å; R86-D198 IonicContact NE-OD1 2.7Å; R86-D198 PolarHBondContact NE-OD1 3.18Å; R86-D198 IonicContact NH2-OD1 3.14Å; R86-D198 PolarHBondContact NH2-OD1 3Å; R86-L201 HydrophobicContact CG-CD2 3.92Å
87T78.4Confident86Confident100 Ų10061.1 Ų61.161%0.61331%0.309SS*.THydrogen-bonded Turntrans-78.8-13.6175.785.70000113.4D85 I92D85-T87 PolarHBondContact O-N 2.97Å; D85-T87 PolarHBondContact OD1-N 3.14Å; D85-T87 VanDerWaalsContact OD2-CB 3.29Å; D85-T87 WeakPolarHBondContact OD2-CB 3.27Å; D85-T87 WeakPolarHBondContact OD2-CG2 3.18Å; D85-T87 PolarHBondContact OD2-N 2.89Å; D85-T87 PolarHBondContact OD2-OG1 2.87Å; T87-I92 VanDerWaalsContact O-CD1 3.29Å; T87-I92 WeakPolarHBondContact O-CD1 2.96Å
88S82.3Confident85.8Confident39 Ų3959.8 Ų59.827%0.27330%0.304SS..SBendtrans-59.5128.3-178.5-172.60000111D85 R86 K90 V91 I92D85-S88 WeakPolarHBondContact O-CB 3.46Å; D85-S88 PolarHBondContact O-N 2.89Å; D85-S88 VanDerWaalsContact O-N 3.14Å; R86-S88 VanDerWaalsContact C-N 3.31Å; S88-K90 PolarHBondContact O-N 3.22Å; S88-V91 WeakPolarHBondContact O-CA 3.3Å; S88-V91 WeakPolarHBondContact O-CB 3.36Å; S88-V91 PolarHBondContact O-N 3.38Å; S88-I92 PolarHBondContact O-N 2.79Å
89P86.2Confident85.3Confident104 Ų10464.8 Ų64.868%0.67533%0.325SS*.Hα-helixtrans-54.2-33.1-179.1-30.236.1000113.9V91 I92 D93P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 3.43Å; P89-I92 PolarHBondContact O-N 3.15Å; P89-D93 VanDerWaalsContact O-CB 3.26Å; P89-D93 WeakPolarHBondContact O-CB 3.45Å; P89-D93 PolarHBondContact O-N 2.89Å
90K87.4Confident84.5Confident151 Ų15172.6 Ų72.666%0.65735%0.348SS*.Hα-helixtrans-67-32.5175.9-64.2-179.9-178.8175.90112.7S88 A94 I112S88-K90 PolarHBondContact O-N 3.22Å; K90-A94 VanDerWaalsContact O-CB 3.28Å; K90-A94 WeakPolarHBondContact O-CB 3.27Å; K90-A94 PolarHBondContact O-N 3.06Å; K90-I112 HydrophobicContact CB-CD1 4.25Å
91V86Confident84Confident0 Ų073.1 Ų73.10%035%0.351CS..Hα-helixtrans-79.1-41.3176.7174.60000110.6V84 D85 S88 P89 D93 A94 I95 I109 I112 L201V84-V91 HydrophobicContact CB-CG2 4Å; V84-V91 HydrophobicContact CG2-CG2 3.68Å; D85-V91 WeakPolarHBondContact O-CG2 3.23Å; S88-V91 WeakPolarHBondContact O-CA 3.3Å; S88-V91 WeakPolarHBondContact O-CB 3.36Å; S88-V91 PolarHBondContact O-N 3.38Å; P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 3.43Å; V91-D93 PolarHBondContact O-N 3.19Å; V91-A94 PolarHBondContact O-N 3.02Å; V91-I95 HydrophobicContact CG1-CD1 3.94Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.32Å; V91-I95 PolarHBondContact O-N 3.45Å; V91-I109 HydrophobicContact CG1-CD1 3.97Å; V91-I109 HydrophobicContact CG2-CD1 4.43Å; V91-I112 HydrophobicContact CG2-CD1 4.49Å; V91-L201 HydrophobicContact CG1-CD1 3.88Å
92I87.5Confident83.9Confident83 Ų8371 Ų7143%0.42635%0.347SS..Hα-helixtrans-60.3-44.8173.9-62.8174.1000110.9T87 S88 P89 I95 T96T87-I92 VanDerWaalsContact O-CD1 3.29Å; T87-I92 WeakPolarHBondContact O-CD1 2.96Å; S88-I92 PolarHBondContact O-N 2.79Å; P89-I92 PolarHBondContact O-N 3.15Å; I92-I95 PolarHBondContact O-N 3.08Å; I92-T96 WeakPolarHBondContact O-CB 3.12Å; I92-T96 PolarHBondContact O-N 2.96Å; I92-T96 PolarHBondContact O-OG1 3.37Å
93D88.9Confident83.7Confident62 Ų6274 Ų7433%0.33236%0.36SS..Hα-helixtrans-61.9-46.7173.5-179.836.8000111.8P89 V91 I95 T96 R97P89-D93 VanDerWaalsContact O-CB 3.26Å; P89-D93 WeakPolarHBondContact O-CB 3.45Å; P89-D93 PolarHBondContact O-N 2.89Å; V91-D93 PolarHBondContact O-N 3.19Å; D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 3.4Å; D93-T96 WeakPolarHBondContact O-CB 3.39Å; D93-T96 PolarHBondContact O-N 2.59Å; D93-T96 VanDerWaalsContact O-N 3.12Å; D93-R97 WeakPolarHBondContact O-CG 3.31Å; D93-R97 PolarHBondContact O-N 3.29Å; D93-R97 IonicContact OD1-CZ 2.75Å; D93-R97 IonicContact OD1-NE 2.76Å; D93-R97 PolarHBondContact OD1-NE 3.11Å; D93-R97 IonicContact OD1-NH2 2.67Å; D93-R97 PolarHBondContact OD1-NH2 3.03Å; D93-R97 IonicContact OD2-CZ 2.76Å; D93-R97 VanDerWaalsContact OD2-CZ 3.22Å; D93-R97 IonicContact OD2-NE 3.77Å; D93-R97 PolarHBondContact OD2-NE 3.39Å; D93-R97 IonicContact OD2-NH2 2.86Å; D93-R97 PolarHBondContact OD2-NH2 3.02Å
94A87.6Confident83.6Confident5 Ų579.3 Ų79.34%0.04138%0.383CS..Hα-helixtrans-59.4-39.3175.900000113.1K90 V91 S98 L108 I109 I112K90-A94 VanDerWaalsContact O-CB 3.28Å; K90-A94 WeakPolarHBondContact O-CB 3.27Å; K90-A94 PolarHBondContact O-N 3.06Å; V91-A94 PolarHBondContact O-N 3.02Å; A94-S98 WeakPolarHBondContact O-CB 3.5Å; A94-S98 PolarHBondContact O-N 2.89Å; A94-S98 VanDerWaalsContact O-N 3.16Å; A94-S98 PolarHBondContact O-OG 2.86Å; A94-L108 HydrophobicContact CB-CB 3.89Å; A94-L108 HydrophobicContact CB-CD1 4.23Å; A94-I109 HydrophobicContact CB-CD1 4.13Å; A94-I112 HydrophobicContact CB-CD1 4.16Å
95I86.7Confident83.9Confident59 Ų5981.1 Ų81.130%0.30339%0.389SS..Hα-helixtrans-64.8-45.9173.5-68.2162.3000110.2V91 I92 D93 S98 K99 L201V91-I95 HydrophobicContact CG1-CD1 3.94Å; V91-I95 HydrophobicContact CG1-CG1 4.49Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.32Å; V91-I95 PolarHBondContact O-N 3.45Å; I92-I95 PolarHBondContact O-N 3.08Å; D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 3.4Å; I95-S98 CarbonylContact O-C 3.48Å; I95-S98 PolarHBondContact O-N 3.34Å; I95-S98 PolarHBondContact O-OG 2.93Å; I95-K99 PolarHBondContact O-N 3.05Å; I95-L201 HydrophobicContact CD1-CD1 3.77Å; I95-L201 HydrophobicContact CG1-CD1 4.15Å
96T87.2Confident84.5Confident96 Ų9679.2 Ų79.259%0.58938%0.379SS*.Hα-helixtrans-60.7-53-178.9-57.10000111.2I92 D93 S98 K99I92-T96 WeakPolarHBondContact O-CB 3.12Å; I92-T96 PolarHBondContact O-N 2.96Å; I92-T96 PolarHBondContact O-OG1 3.37Å; D93-T96 WeakPolarHBondContact O-CB 3.39Å; D93-T96 PolarHBondContact O-N 2.59Å; D93-T96 VanDerWaalsContact O-N 3.12Å; T96-S98 PolarHBondContact O-N 3.42Å; T96-K99 PolarHBondContact O-N 3.1Å
97R84Confident85.1Confident182 Ų18276.8 Ų76.869%0.68738%0.375SS*.Hα-helixtrans-63.6-23.1176.9-62.6-173.9-159.3-150.511.1113.5D93 L108D93-R97 WeakPolarHBondContact O-CG 3.31Å; D93-R97 PolarHBondContact O-N 3.29Å; D93-R97 IonicContact OD1-CZ 2.75Å; D93-R97 IonicContact OD1-NE 2.76Å; D93-R97 PolarHBondContact OD1-NE 3.11Å; D93-R97 IonicContact OD1-NH2 2.67Å; D93-R97 PolarHBondContact OD1-NH2 3.03Å; D93-R97 IonicContact OD2-CZ 2.76Å; D93-R97 VanDerWaalsContact OD2-CZ 3.22Å; D93-R97 IonicContact OD2-NE 3.77Å; D93-R97 PolarHBondContact OD2-NE 3.39Å; D93-R97 IonicContact OD2-NH2 2.86Å; D93-R97 PolarHBondContact OD2-NH2 3.02Å; R97-L108 HydrophobicContact CB-CD1 4.47Å
98S84.9Confident85.7Confident0 Ų075.2 Ų75.20%036%0.362CS..THydrogen-bonded Turntrans-103.811.5-178.469.80000114.8A94 I95 T96 R100 S101 R105A94-S98 WeakPolarHBondContact O-CB 3.5Å; A94-S98 PolarHBondContact O-N 2.89Å; A94-S98 VanDerWaalsContact O-N 3.16Å; A94-S98 PolarHBondContact O-OG 2.86Å; I95-S98 CarbonylContact O-C 3.48Å; I95-S98 PolarHBondContact O-N 3.34Å; I95-S98 PolarHBondContact O-OG 2.93Å; T96-S98 PolarHBondContact O-N 3.42Å; S98-R100 PolarHBondContact O-N 2.83Å; S98-S101 CarbonylContact O-C 3.54Å; S98-S101 PolarHBondContact O-N 3.17Å; S98-R105 PolarHBondContact O-NH2 3.23Å; S98-R105 VanDerWaalsContact OG-CB 3.28Å; S98-R105 WeakPolarHBondContact OG-CB 3.41Å; S98-R105 VanDerWaalsContact OG-CG 3.32Å; S98-R105 WeakPolarHBondContact OG-CG 3.38Å; S98-R105 PolarHBondContact OG-NE 3.43Å; S98-R105 VanDerWaalsContact OG-NE 3.09Å
99K78.3Confident86.2Confident178 Ų17873.3 Ų73.377%0.77435%0.349SS*.THydrogen-bonded Turntrans-52.7-35.3-174.5-169.9171.6-176.7175.10114I95 T96I95-K99 PolarHBondContact O-N 3.05Å; T96-K99 PolarHBondContact O-N 3.1Å
100R72.5Confident86.5Confident208 Ų20869.5 Ų69.579%0.78532%0.322SS*.THydrogen-bonded Turntrans-93.8-6.3177.8-64.1-172.9-177.7-174.81.4115.5S98S98-R100 PolarHBondContact O-N 2.83Å
101S80.1Confident86.7Confident22 Ų2266.6 Ų66.615%0.15431%0.313CS..  trans-143.595.3-170.5-173.20000112.6S98 K103 K104 R105S98-S101 CarbonylContact O-C 3.54Å; S98-S101 PolarHBondContact O-N 3.17Å; S101-K103 PolarHBondContact O-N 3.32Å; S101-K104 PolarHBondContact O-N 3.18Å; S101-K104 WeakPolarHBondContact OG-CG 3.33Å; S101-R105 PolarHBondContact O-N 3.25Å; S101-R105 VanDerWaalsContact O-N 3.09Å
102P85.3Confident86.9Confident45 Ų4568.5 Ų68.529%0.29232%0.323SS..Hα-helixtrans-58.4-35.1177.1-23.433.6000113.1K104 R105 L106 G203 H1387P102-K104 PolarHBondContact O-N 2.88Å; P102-R105 WeakPolarHBondContact O-CA 3.42Å; P102-R105 VanDerWaalsContact O-CB 3.31Å; P102-R105 WeakPolarHBondContact O-CB 3.36Å; P102-R105 PolarHBondContact O-N 3.2Å; P102-R105 VanDerWaalsContact O-N 3.09Å; P102-L106 PolarHBondContact O-N 3.23Å; P102-G203 VanDerWaalsContact CB-O 3.26Å; P102-G203 WeakPolarHBondContact CB-O 3.49Å; P102-H1387 HydrophobicContact CB-CB 4.43Å
103K85Confident87Confident65 Ų6564.6 Ų64.628%0.28330%0.303SS..Hα-helixtrans-56.7-42.4171.4174.9178.1171.5170.70113.4S101 T107 E1383S101-K103 PolarHBondContact O-N 3.32Å; K103-T107 PolarHBondContact O-OG1 2.75Å; K103-T107 VanDerWaalsContact O-OG1 3.08Å; K103-E1383 HydrophobicContact CD-CG 4.21Å; K103-E1383 VanDerWaalsContact CE-CD 3.42Å; K103-E1383 WeakPolarHBondContact CE-OE1 3.43Å; K103-E1383 WeakPolarHBondContact CE-OE2 3.33Å; K103-E1383 IonicContact NZ-OE1 2.8Å; K103-E1383 IonicContact NZ-OE2 2.68Å; K103-E1383 PolarHBondContact NZ-OE2 3.01Å
104K87.1Confident86.9Confident117 Ų11767.7 Ų67.751%0.50931%0.314SS..Hα-helixtrans-67.9-40.6173.3-70.2176.6-174.6166.50110.4S101 P102 T107 L108S101-K104 PolarHBondContact O-N 3.18Å; S101-K104 WeakPolarHBondContact OG-CG 3.33Å; P102-K104 PolarHBondContact O-N 2.88Å; K104-T107 PolarHBondContact O-N 3.43Å; K104-T107 VanDerWaalsContact O-N 3.16Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 2.93Å
105R89.9Confident86.7Confident45 Ų4572 Ų7217%0.1734%0.343CS..Hα-helixtrans-56.5-53.6177.4-164.3175.4-57.8155.58.4112.5S98 S101 P102 T107 L108 I109 S200 L201S98-R105 PolarHBondContact O-NH2 3.23Å; S98-R105 VanDerWaalsContact OG-CB 3.28Å; S98-R105 WeakPolarHBondContact OG-CB 3.41Å; S98-R105 VanDerWaalsContact OG-CG 3.32Å; S98-R105 WeakPolarHBondContact OG-CG 3.38Å; S98-R105 PolarHBondContact OG-NE 3.43Å; S98-R105 VanDerWaalsContact OG-NE 3.09Å; S101-R105 PolarHBondContact O-N 3.25Å; S101-R105 VanDerWaalsContact O-N 3.09Å; P102-R105 WeakPolarHBondContact O-CA 3.42Å; P102-R105 VanDerWaalsContact O-CB 3.31Å; P102-R105 WeakPolarHBondContact O-CB 3.36Å; P102-R105 PolarHBondContact O-N 3.2Å; P102-R105 VanDerWaalsContact O-N 3.09Å; R105-T107 PolarHBondContact O-N 2.69Å; R105-T107 VanDerWaalsContact O-N 3.12Å; R105-L108 PolarHBondContact O-N 2.94Å; R105-L108 VanDerWaalsContact O-N 3.16Å; R105-I109 HydrophobicContact CG-CG1 4.09Å; R105-I109 WeakPolarHBondContact O-CG1 3.4Å; R105-I109 PolarHBondContact O-N 3.02Å; R105-S200 PolarHBondContact NH1-O 2.72Å; R105-L201 WeakPolarHBondContact CD-O 3.32Å; R105-L201 WeakPolarHBondContact CG-O 3.32Å
106L91.2Very high86.7Confident1 Ų172.2 Ų72.21%0.00534%0.342CS..Hα-helixtrans-54-36.7178.2-179.461.6000111.9K67 P102 Y110 L202 M204K67-L106 HydrophobicContact CD-CD2 3.95Å; P102-L106 PolarHBondContact O-N 3.23Å; L106-Y110 WeakPolarHBondContact O-CB 3.28Å; L106-Y110 PolarHBondContact O-N 2.88Å; L106-L202 VanDerWaalsContact CA-O 3.31Å; L106-L202 WeakPolarHBondContact CA-O 3.46Å; L106-L202 VanDerWaalsContact CB-O 3.24Å; L106-L202 WeakPolarHBondContact CB-O 3.44Å; L106-L202 HydrophobicContact CD1-CB 4.35Å; L106-L202 HydrophobicContact CD1-CD2 4.29Å; L106-L202 WeakPolarHBondContact CD1-O 3.49Å; L106-M204 HydrophobicContact CD1-CE 4.41Å; L106-M204 HydrophobicContact CD2-CE 3.81Å
107T91.2Very high86.6Confident51 Ų5171.3 Ų71.331%0.31334%0.34SS..Hα-helixtrans-73.9-45.8-178.9-54.90000111.7K103 K104 R105 Y110 D111K103-T107 PolarHBondContact O-OG1 2.75Å; K103-T107 VanDerWaalsContact O-OG1 3.08Å; K104-T107 PolarHBondContact O-N 3.43Å; K104-T107 VanDerWaalsContact O-N 3.16Å; R105-T107 PolarHBondContact O-N 2.69Å; R105-T107 VanDerWaalsContact O-N 3.12Å; T107-Y110 PolarHBondContact O-N 2.63Å; T107-D111 PolarHBondContact O-N 2.85Å
108L91.1Very high86.7Confident66 Ų6665.3 Ų65.335%0.34632%0.321SS..Hα-helixtrans-63.3-47.8176.7-66.5172.7000111.9A94 R97 K104 R105 Y110 D111 I112A94-L108 HydrophobicContact CB-CB 3.89Å; A94-L108 HydrophobicContact CB-CD1 4.23Å; R97-L108 HydrophobicContact CB-CD1 4.47Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 2.93Å; R105-L108 PolarHBondContact O-N 2.94Å; R105-L108 VanDerWaalsContact O-N 3.16Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.02Å; L108-D111 PolarHBondContact O-N 3.3Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 2.89Å; L108-I112 VanDerWaalsContact O-N 3.13Å
109I91.6Very high86.7Confident0 Ų065.4 Ų65.40%032%0.321CS..Hα-helixtrans-61.7-42.9177-61.7-61.1000110.5V91 A94 R105 D111 I112 C113 L201 L202V91-I109 HydrophobicContact CG1-CD1 3.97Å; V91-I109 HydrophobicContact CG2-CD1 4.43Å; A94-I109 HydrophobicContact CB-CD1 4.13Å; R105-I109 HydrophobicContact CG-CG1 4.09Å; R105-I109 WeakPolarHBondContact O-CG1 3.4Å; R105-I109 PolarHBondContact O-N 3.02Å; I109-D111 PolarHBondContact O-N 3Å; I109-I112 PolarHBondContact O-N 2.8Å; I109-C113 WeakPolarHBondContact O-CB 3.35Å; I109-C113 PolarHBondContact O-N 3.34Å; I109-C113 PolarHBondContact O-SG 2.61Å; I109-L201 HydrophobicContact CD1-CD1 4.28Å; I109-L202 HydrophobicContact CG2-CD2 4.17Å
110Y92.9Very high86.3Confident23 Ų2360.6 Ų60.69%0.0930%0.301CS..Hα-helixtrans-58.7-45.3175167.2-93000113.3K70 R73 C74 L106 T107 L108 I112 C113 K114K70-Y110 HydrophobicContact CB-CD2 3.83Å; K70-Y110 HydrophobicContact CB-CE2 4.16Å; K70-Y110 HydrophobicContact CD-CD2 4.28Å; K70-Y110 HydrophobicContact CD-CG 4.28Å; K70-Y110 HydrophobicContact CG-CD2 3.8Å; K70-Y110 HydrophobicContact CG-CE2 3.83Å; K70-Y110 HydrophobicContact CG-CG 4.3Å; R73-Y110 HydrophobicContact CB-CD2 4.35Å; R73-Y110 HydrophobicContact CB-CE2 3.97Å; R73-Y110 PolarHBondContact NH1-OH 2.86Å; C74-Y110 VanDerWaalsContact SG-CA 3.59Å; L106-Y110 WeakPolarHBondContact O-CB 3.28Å; L106-Y110 PolarHBondContact O-N 2.88Å; T107-Y110 PolarHBondContact O-N 2.63Å; L108-Y110 VanDerWaalsContact C-N 3.33Å; L108-Y110 PolarHBondContact O-N 3.02Å; Y110-I112 VanDerWaalsContact C-N 3.28Å; Y110-I112 PolarHBondContact O-N 3.47Å; Y110-C113 PolarHBondContact O-N 3.23Å; Y110-K114 HydrophobicContact CE1-CD 4.34Å; Y110-K114 VanDerWaalsContact O-CB 3.24Å; Y110-K114 WeakPolarHBondContact O-CB 3.45Å; Y110-K114 PolarHBondContact O-N 2.9Å
111D91.7Very high85.5Confident91 Ų9151.3 Ų51.349%0.48727%0.271SS..Hα-helixtrans-69.9-26-178.9-73.8-39.6000112.2T107 L108 I109T107-D111 PolarHBondContact O-N 2.85Å; L108-D111 PolarHBondContact O-N 3.3Å; I109-D111 PolarHBondContact O-N 3Å
112I89.6Confident84Confident39 Ų3953.6 Ų53.620%0.229%0.291CS..Hα-helixtrans-75.1-48.2169.2-56.5163.8000111V84 K90 V91 A94 L108 I109 Y110 K114 S115V84-I112 HydrophobicContact CG1-CG2 3.86Å; K90-I112 HydrophobicContact CB-CD1 4.25Å; V91-I112 HydrophobicContact CG2-CD1 4.49Å; A94-I112 HydrophobicContact CB-CD1 4.16Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 2.89Å; L108-I112 VanDerWaalsContact O-N 3.13Å; I109-I112 PolarHBondContact O-N 2.8Å; Y110-I112 VanDerWaalsContact C-N 3.28Å; Y110-I112 PolarHBondContact O-N 3.47Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 3.13Å; I112-S115 PolarHBondContact O-OG 2.89Å
113C90.4Very high81.9Confident1 Ų159.2 Ų59.21%0.00731%0.314CS..Hα-helixtrans-63.6-33.6-179.2-66.90000112.8C74 I109 Y110 S115 K116C74-C113 HydrophobicContact CB-CB 4.31Å; I109-C113 WeakPolarHBondContact O-CB 3.35Å; I109-C113 PolarHBondContact O-N 3.34Å; I109-C113 PolarHBondContact O-SG 2.61Å; Y110-C113 PolarHBondContact O-N 3.23Å; C113-S115 PolarHBondContact O-N 3.11Å; C113-S115 VanDerWaalsContact O-N 3.07Å; C113-K116 WeakPolarHBondContact O-CB 3.38Å; C113-K116 PolarHBondContact O-N 3.44Å
114K86.5Confident79.6Confident128 Ų12865.2 Ų65.256%0.55734%0.342SS*.THydrogen-bonded Turntrans-57.7-24.6-176.5-176.5-168.5166.9-1340114Y110 I112Y110-K114 HydrophobicContact CE1-CD 4.34Å; Y110-K114 VanDerWaalsContact O-CB 3.24Å; Y110-K114 WeakPolarHBondContact O-CB 3.45Å; Y110-K114 PolarHBondContact O-N 2.9Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 3.13Å
115S84.5Confident77.1Confident95 Ų9564.9 Ų64.966%0.66435%0.351SS*.THydrogen-bonded Turntrans-87.9-14.7176.658.80000114I112 C113I112-S115 PolarHBondContact O-OG 2.89Å; C113-S115 PolarHBondContact O-N 3.11Å; C113-S115 VanDerWaalsContact O-N 3.07Å
116K86.6Confident74.5Confident64 Ų6470.7 Ų70.728%0.27839%0.385SS..  trans-76.4125.1176.5-62.6-80.6171.41700109.4L83 V84 C113 E120L83-K116 HydrophobicContact CB-CB 4.34Å; V84-K116 HydrophobicContact CG1-CG 4.12Å; C113-K116 WeakPolarHBondContact O-CB 3.38Å; C113-K116 PolarHBondContact O-N 3.44Å; K116-E120 VanDerWaalsContact CD-OE1 3.31Å; K116-E120 WeakPolarHBondContact CD-OE1 3.44Å; K116-E120 IonicContact NZ-OE1 2.69Å; K116-E120 PolarHBondContact NZ-OE1 3.2Å; K116-E120 IonicContact NZ-OE2 3.84Å; K116-E120 PolarHBondContact NZ-OE2 2.67Å
117S84.9Confident72.1Confident76 Ų7676.4 Ų76.453%0.53142%0.42SS..  trans-109.8-5.9177.960.80000113.7F153 Q154S117-F153 WeakPolarHBondContact O-CA 3.45Å; S117-Q154 PolarHBondContact O-N 2.83Å
118I86.4Confident69.6Low57 Ų5781.8 Ų81.829%0.29245%0.447SS..BIsolated β-bridgetrans-130.1146.5178.6-58.5171.2000107.2E120 M151 F153I118-E120 PolarHBondContact O-N 3.07Å; I118-M151 HydrophobicContact CG2-SD 4.46Å; I118-F153 HydrophobicContact CD1-CD1 4.25Å; I118-F153 HydrophobicContact CD1-CE1 3.75Å; I118-F153 HydrophobicContact CG1-CD1 3.63Å; I118-F153 HydrophobicContact CG1-CE1 3.67Å
119C84.5Confident66.9Low2 Ų290.3 Ų90.31%0.01447%0.474CS..  trans-84.588.8167.5178.50000109.4C76 L83 G121 C150 M151 R152C76-C119 HydrophobicContact CB-CB 4.08Å; L83-C119 HydrophobicContact CD2-CB 3.81Å; C119-G121 PolarHBondContact O-N 3.37Å; C119-C150 PolarHBondContact O-N 2.94Å; C119-C150 PolarHBondContact SG-N 3.01Å; C119-C150 VanDerWaalsContact SG-N 3.44Å; C119-M151 VanDerWaalsContact O-CA 3.22Å; C119-M151 WeakPolarHBondContact O-CA 2.94Å; C119-M151 PolarHBondContact O-N 3.42Å; C119-R152 PolarHBondContact N-O 2.99Å
120E70Confident64.3Low76 Ų7696 Ų9636%0.35551%0.514SS..  trans-52.1119.9-175.6-69.7162.1178.700112.2K116 I118 F147 G149K116-E120 VanDerWaalsContact CD-OE1 3.31Å; K116-E120 WeakPolarHBondContact CD-OE1 3.44Å; K116-E120 IonicContact NZ-OE1 2.69Å; K116-E120 PolarHBondContact NZ-OE1 3.2Å; K116-E120 IonicContact NZ-OE2 3.84Å; K116-E120 PolarHBondContact NZ-OE2 2.67Å; I118-E120 PolarHBondContact O-N 3.07Å; E120-F147 HydrophobicContact CB-CE1 4.46Å; E120-F147 VanDerWaalsContact O-CD1 3.25Å; E120-F147 WeakPolarHBondContact O-CD1 3.36Å; E120-F147 WeakPolarHBondContact O-CE1 3.43Å; E120-G149 VanDerWaalsContact O-CA 3.27Å; E120-G149 WeakPolarHBondContact O-CA 3.15Å; E120-G149 PolarHBondContact O-N 3.09Å
121G54.6Low61.7Low14 Ų1498.5 Ų98.514%0.14455%0.546CS..  trans-103.2177.916400000110.3C119 M151C119-G121 PolarHBondContact O-N 3.37Å; G121-M151 PolarHBondContact N-SD 3.25Å
122A48.8Very low59.1Low70 Ų70103.7 Ų103.758%0.57957%0.568SS**  trans-64.3135.1178.300000111.8
123E42.5Very low56.4Low163 Ų163106.8 Ų106.876%0.76260%0.599SS**  trans-83.5132.3158.5-67176.9158.200107.6T125 M151E123-T125 PolarHBondContact O-N 2.88Å; E123-T125 VanDerWaalsContact O-N 3.15Å; E123-M151 HydrophobicContact CG-CE 4.45Å
124E34.9Very low54Low190 Ų190112.5 Ų112.589%0.88864%0.639SS**  trans-77.994.6169.8-69.5-177.1139.900108.1D126E124-D126 PolarHBondContact O-N 3.13Å; E124-D126 VanDerWaalsContact O-N 3.17Å
125T36Very low51.7Low111 Ų111115 Ų11568%0.68165%0.653SS**  trans-73.5101.4168.151.50000108.9E123 V127E123-T125 PolarHBondContact O-N 2.88Å; E123-T125 VanDerWaalsContact O-N 3.15Å; T125-V127 PolarHBondContact O-N 2.87Å
126D34.2Very low49.4Very low166 Ų166118.3 Ų118.389%0.88866%0.663SS**  trans-56.9122.5164.1-80.8-47.8000109.4E124E124-D126 PolarHBondContact O-N 3.13Å; E124-D126 VanDerWaalsContact O-N 3.17Å
127V40.5Very low47Very low122 Ų122122.1 Ų122.174%0.73969%0.686SS**  trans-112.3105.4176.8-178.30000108.6T125T125-V127 PolarHBondContact O-N 2.87Å
128D39.2Very low44.6Very low164 Ų164125.9 Ų125.988%0.87770%0.701SS**  trans-57.7136.8177.1-97.8-45.4000112.2
129R34.6Very low42.5Very low244 Ų244131.3 Ų131.392%0.92173%0.73SS**  trans-98.497.9-172.3-73.2179.8169.7-176.7-2.4112.9
130S37.8Very low40.1Very low121 Ų121135.9 Ų135.985%0.84677%0.767SS**  trans-161.4125.8155.760.60000112.5
131G38.1Very low38.3Very low74 Ų74139.8 Ų139.876%0.76379%0.791SS**  trans150.966.5168.700000117.7
132Q36.4Very low37.4Very low200 Ų200148.6 Ų148.694%0.93583%0.825SS**  trans47.6112.7151.5-62.1176.8-2.300119.4
133A33.3Very low36.8Very low105 Ų105150.9 Ų150.987%0.86883%0.832SS**  trans-86.9152.3162.400000111.7
134S39.3Very low36.6Very low120 Ų120151.2 Ų151.284%0.83984%0.838SS**  trans-137134.4156.367.20000109.1
135E38.7Very low37Very low180 Ų180152 Ų15284%0.84184%0.838SS**  trans-79139.2-165.4-59.3163.5132.800113.1
136N37.2Very low37.4Very low166 Ų166151.6 Ų151.689%0.88884%0.84SS**  trans-160.6151.1143.2-104.5-62.1000109.5
137N35Very low38.5Very low143 Ų143146.3 Ų146.377%0.76581%0.809SS**  trans-93.7169-155.4-79.1-40.8000116.4
138D35.8Very low39.4Very low155 Ų155142.3 Ų142.383%0.82979%0.793SS**  trans86138.4159.5-58.7-40.2000119.7
139L40.3Very low41Very low172 Ų172135.4 Ų135.490%0.90176%0.76SS**SBendtrans81.251.4173.9-58.6169.4000119.3
140A35.6Very low43.4Very low97 Ų97125.8 Ų125.880%0.80273%0.73SS**  trans44.1122.3134.800000121
141D30.8Very low45.3Very low159 Ų159124.8 Ų124.885%0.8571%0.713SS**  trans-40.7128.5177.5-78.8-62.8000117
142K36.7Very low47.6Very low199 Ų199125 Ų12587%0.86569%0.691SS**  trans-97.885156.9-77.9179.1-179.9166.50110L144K142-L144 PolarHBondContact O-N 3.03Å
143T36.3Very low50.1Low118 Ų118118.1 Ų118.172%0.72466%0.658SS**PPolyproline II helixtrans-52.3131165.635.90000110.9K145T143-K145 PolarHBondContact O-N 3.38Å
144L38.2Very low52.8Low170 Ų170114 Ų11489%0.8962%0.621SS**PPolyproline II helixtrans-64.1117.7175.2-81.682.5000109.3K142 S146K142-L144 PolarHBondContact O-N 3.03Å; L144-S146 PolarHBondContact O-N 3.19Å
145K42.8Very low55.2Low205 Ų205108.8 Ų108.889%0.89158%0.584SS**PPolyproline II helixtrans-74.3116.9170.9-75.9-172173.7-177.60109.4T143T143-K145 PolarHBondContact O-N 3.38Å
146S45.1Very low57.7Low103 Ų103102.9 Ų102.972%0.7256%0.561SS**PPolyproline II helixtrans-70.2139.7-170.547.40000114.1L144 G148L144-S146 PolarHBondContact O-N 3.19Å; S146-G148 PolarHBondContact O-N 3.15Å; S146-G148 VanDerWaalsContact O-N 3.1Å
147F56.2Low60.3Low55 Ų5595.3 Ų95.324%0.24152%0.52CS..  trans-8088.5173.6-175.6-108.4000110.4D85 E120 G149D85-F147 VanDerWaalsContact CA-CE2 3.44Å; D85-F147 HydrophobicContact CB-CB 4.48Å; D85-F147 HydrophobicContact CB-CD1 4.25Å; D85-F147 HydrophobicContact CB-CD2 3.53Å; D85-F147 HydrophobicContact CB-CE1 4.38Å; D85-F147 HydrophobicContact CB-CE2 3.72Å; D85-F147 HydrophobicContact CB-CG 3.82Å; D85-F147 HydrophobicContact CB-CZ 4.15Å; D85-F147 VanDerWaalsContact OD1-CD2 3.31Å; D85-F147 WeakPolarHBondContact OD1-CD2 3.46Å; E120-F147 HydrophobicContact CB-CE1 4.46Å; E120-F147 VanDerWaalsContact O-CD1 3.25Å; E120-F147 WeakPolarHBondContact O-CD1 3.36Å; E120-F147 WeakPolarHBondContact O-CE1 3.43Å; F147-G149 VanDerWaalsContact C-N 3.33Å; F147-G149 PolarHBondContact O-N 2.99Å
148G61.2Low63Low38 Ų3892.9 Ų92.939%0.39250%0.502SS..  trans-77.967.5-175.200000114.9K81 S146K81-G148 WeakPolarHBondContact CD-O 3Å; K81-G148 PolarHBondContact NZ-O 3.41Å; S146-G148 PolarHBondContact O-N 3.15Å; S146-G148 VanDerWaalsContact O-N 3.1Å
149G71.3Confident65.5Low19 Ų1990.2 Ų90.220%0.19648%0.481CS..  trans-72.9179.1160.900000112.6E120 F147E120-G149 VanDerWaalsContact O-CA 3.27Å; E120-G149 WeakPolarHBondContact O-CA 3.15Å; E120-G149 PolarHBondContact O-N 3.09Å; F147-G149 VanDerWaalsContact C-N 3.33Å; F147-G149 PolarHBondContact O-N 2.99Å
150C85.2Confident67.7Low43 Ų4386.1 Ų86.129%0.29146%0.463SS..  trans-116.214.1-170.478.70000115.2C79 C119 R152C79-C150 HydrophobicContact CB-CB 4.21Å; C119-C150 PolarHBondContact O-N 2.94Å; C119-C150 PolarHBondContact SG-N 3.01Å; C119-C150 VanDerWaalsContact SG-N 3.44Å; C150-R152 PolarHBondContact O-N 3.04Å
151M79.1Confident70.1Confident99 Ų9983.4 Ų83.449%0.48844%0.444SS..  trans53.68.9178.5-69.9-60.6-141.700117.7I118 C119 G121 E123I118-M151 HydrophobicContact CG2-SD 4.46Å; C119-M151 VanDerWaalsContact O-CA 3.22Å; C119-M151 WeakPolarHBondContact O-CA 2.94Å; C119-M151 PolarHBondContact O-N 3.42Å; G121-M151 PolarHBondContact N-SD 3.25Å; E123-M151 HydrophobicContact CG-CE 4.45Å
152R85.3Confident72.8Confident78 Ų7877 Ų7729%0.29441%0.41SS..PPolyproline II helixtrans-85.5142-178.1-73.2171175.9-108.6-4.9113.2H78 C119 C150 Q154 N172 E173H78-R152 VanDerWaalsContact CG-CD 3.47Å; C119-R152 PolarHBondContact N-O 2.99Å; C150-R152 PolarHBondContact O-N 3.04Å; R152-Q154 PolarHBondContact O-NE2 2.99Å; R152-N172 WeakPolarHBondContact CA-OD1 3.38Å; R152-N172 VanDerWaalsContact CB-OD1 3.24Å; R152-N172 WeakPolarHBondContact CB-OD1 3.39Å; R152-E173 IonicContact CZ-OE1 3.16Å; R152-E173 IonicContact NH1-OE1 2.77Å; R152-E173 PolarHBondContact NH1-OE1 2.97Å; R152-E173 IonicContact NH2-OE1 3.53Å; R152-E173 PolarHBondContact NH2-OE1 3.44Å
153F88.8Confident75.3Confident56 Ų5670.1 Ų70.125%0.24638%0.38CS..BIsolated β-bridgetrans-63.2135.9170.9-67-68.6000112S117 I118 W168 K170 L171 N172S117-F153 WeakPolarHBondContact O-CA 3.45Å; I118-F153 HydrophobicContact CD1-CD1 4.25Å; I118-F153 HydrophobicContact CD1-CE1 3.75Å; I118-F153 HydrophobicContact CG1-CD1 3.63Å; I118-F153 HydrophobicContact CG1-CE1 3.67Å; F153-W168 PolarHBondContact O-NE1 3.26Å; F153-K170 HydrophobicContact CD1-CB 4Å; F153-K170 HydrophobicContact CD1-CD 4.35Å; F153-K170 HydrophobicContact CD2-CB 3.88Å; F153-K170 HydrophobicContact CE1-CB 4.07Å; F153-K170 HydrophobicContact CE1-CD 3.65Å; F153-K170 HydrophobicContact CE1-CG 4.44Å; F153-K170 HydrophobicContact CE2-CB 3.93Å; F153-K170 HydrophobicContact CE2-CD 4.29Å; F153-K170 HydrophobicContact CG-CB 3.92Å; F153-K170 HydrophobicContact CZ-CB 4.04Å; F153-K170 HydrophobicContact CZ-CD 3.62Å; F153-K170 HydrophobicContact CZ-CG 4.48Å; F153-L171 WeakPolarHBondContact CD2-O 3.35Å; F153-N172 PolarHBondContact N-OD1 3.22Å; F153-N172 PolarHBondContact O-ND2 3.15Å
154Q89.7Confident77.9Confident20 Ų2064.5 Ų64.59%0.09335%0.346CS..PPolyproline II helixtrans-96.5143.4-176.1-58.2-55.6-53.200112.5C76 L83 S117 R152C76-Q154 PolarHBondContact SG-NE2 2.87Å; L83-Q154 HydrophobicContact CD1-CG 4.14Å; L83-Q154 HydrophobicContact CD2-CG 3.83Å; S117-Q154 PolarHBondContact O-N 2.83Å; R152-Q154 PolarHBondContact O-NE2 2.99Å
155P91Very high80.5Confident9 Ų956.7 Ų56.76%0.05831%0.306CS..PPolyproline II helixtrans-74.2151175.827.9-31.6000112.6Y77 Y157 A166 W168Y77-P155 HydrophobicContact CD2-CG 4.02Å; Y77-P155 HydrophobicContact CG-CG 4.24Å; P155-Y157 HydrophobicContact CG-CE1 3.98Å; P155-Y157 HydrophobicContact CG-CE2 3.88Å; P155-A166 HydrophobicContact CB-CB 3.7Å; P155-A166 HydrophobicContact CG-CB 4.11Å; P155-W168 HydrophobicContact CB-CD2 3.73Å; P155-W168 HydrophobicContact CB-CE3 4.02Å; P155-W168 HydrophobicContact CB-CG 4.33Å; P155-W168 HydrophobicContact CB-CH2 3.96Å; P155-W168 HydrophobicContact CB-CZ2 3.67Å; P155-W168 HydrophobicContact CB-CZ3 4.13Å; P155-W168 HydrophobicContact CG-CD2 4.5Å; P155-W168 HydrophobicContact CG-CH2 4.04Å; P155-W168 HydrophobicContact CG-CZ2 3.56Å
156T91.2Very high82.9Confident57 Ų5747 Ų4735%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-87.8112.7163.763.10000109.9E167T156-E167 PolarHBondContact N-O 2.77Å; T156-E167 PolarHBondContact O-N 2.77Å; T156-E167 PolarHBondContact OG1-O 3.1Å
157Y92.1Very high85.1Confident7 Ų744.6 Ų44.63%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-83.1127.9-179.4-55.9-91000111.9L72 R73 P155 I164 T165 A166L72-Y157 HydrophobicContact CB-CD1 4.36Å; L72-Y157 HydrophobicContact CB-CD2 4.2Å; L72-Y157 HydrophobicContact CB-CE1 4.11Å; L72-Y157 HydrophobicContact CB-CE2 3.96Å; L72-Y157 HydrophobicContact CB-CG 4.38Å; L72-Y157 HydrophobicContact CD1-CD1 4.14Å; L72-Y157 HydrophobicContact CD1-CE1 4.08Å; L72-Y157 HydrophobicContact CD2-CE1 4.03Å; L72-Y157 HydrophobicContact CG-CE1 4.32Å; L72-Y157 WeakPolarHBondContact O-CE2 3.45Å; L72-Y157 PolarHBondContact O-OH 3.21Å; R73-Y157 HydrophobicContact CG-CD2 3.78Å; R73-Y157 HydrophobicContact CG-CE2 4.47Å; R73-Y157 PolarHBondContact NH2-O 3.41Å; P155-Y157 HydrophobicContact CG-CE1 3.98Å; P155-Y157 HydrophobicContact CG-CE2 3.88Å; Y157-I164 HydrophobicContact CD1-CG2 4.05Å; Y157-T165 WeakPolarHBondContact CA-O 3.49Å; Y157-A166 HydrophobicContact CD1-CB 4.11Å; Y157-A166 HydrophobicContact CE1-CB 4.16Å
158K90.6Very high86.7Confident92 Ų9242.1 Ų42.140%0.423%0.23SC..EExtended strand (participates in β ladder)trans-117.5154.4172.6-61.1171.5-1731690109.8I164 T165 E167K158-I164 WeakPolarHBondContact O-CA 3.4Å; K158-T165 PolarHBondContact N-O 3.28Å; K158-T165 PolarHBondContact O-N 3.23Å; K158-E167 WeakPolarHBondContact CE-OE2 3.46Å; K158-E167 IonicContact NZ-OE1 2.82Å; K158-E167 PolarHBondContact NZ-OE1 2.91Å; K158-E167 IonicContact NZ-OE2 3.97Å; K158-E167 PolarHBondContact NZ-OE2 3.04Å
159R88.6Confident87.9Confident99 Ų9949 Ų4937%0.37425%0.249SC..EExtended strand (participates in β ladder)trans-106.9135.9175.9175.3176.4-179.8176.1-0.5110F65 L69 G161 E163F65-R159 HydrophobicContact CD1-CG 4.25Å; F65-R159 HydrophobicContact CE1-CB 4.26Å; F65-R159 HydrophobicContact CE1-CG 3.6Å; F65-R159 HydrophobicContact CZ-CG 4.35Å; L69-R159 HydrophobicContact CD1-CB 3.95Å; R159-G161 VanDerWaalsContact CZ-O 3.3Å; R159-G161 PolarHBondContact NE-O 3.4Å; R159-G161 PolarHBondContact NH2-O 3.42Å; R159-E163 WeakPolarHBondContact CA-O 3.5Å
160V86.1Confident88.5Confident86 Ų8654.7 Ų54.752%0.52127%0.268SS..EExtended strand (participates in β ladder)trans-132.3104.1171.9-174.40000108.2L162 E163V160-L162 PolarHBondContact O-N 2.64Å; V160-E163 PolarHBondContact N-O 3.38Å; V160-E163 PolarHBondContact O-N 3.3Å
161G85.2Confident88.3Confident40 Ų4055.9 Ų55.941%0.41227%0.271SS..THydrogen-bonded Turntrans62-106-177.400000113.4R159R159-G161 VanDerWaalsContact CZ-O 3.3Å; R159-G161 PolarHBondContact NE-O 3.4Å; R159-G161 PolarHBondContact NH2-O 3.42Å
162L87.8Confident88.5Confident24 Ų2453.3 Ų53.313%0.12626%0.259CS..THydrogen-bonded Turntrans-108.27173.4-60.4178.9000113.2V62 F65 V160 Q277 A281 I291V62-L162 HydrophobicContact CG2-CD2 4.09Å; F65-L162 WeakPolarHBondContact CE2-O 3.32Å; F65-L162 WeakPolarHBondContact CZ-O 3.48Å; V160-L162 PolarHBondContact O-N 2.64Å; L162-Q277 HydrophobicContact CB-CG 4.01Å; L162-Q277 HydrophobicContact CD1-CG 3.98Å; L162-A281 HydrophobicContact CD1-CB 3.82Å; L162-A281 HydrophobicContact CD2-CB 4.25Å; L162-I291 HydrophobicContact CD1-CD1 3.89Å; L162-I291 HydrophobicContact CD2-CD1 3.56Å; L162-I291 HydrophobicContact CG-CD1 3.49Å; L162-I291 VanDerWaalsContact CG-CD1 3.49Å
163E89.2Confident88.3Confident54 Ų5453.7 Ų53.725%0.25226%0.264SS..EExtended strand (participates in β ladder)trans-105.8155.9179.7-59.3-173.6162.300111.8R159 V160 T181 R274R159-E163 WeakPolarHBondContact CA-O 3.5Å; V160-E163 PolarHBondContact N-O 3.38Å; V160-E163 PolarHBondContact O-N 3.3Å; E163-T181 HydrophobicContact CB-CG2 4.33Å; E163-R274 IonicContact OE1-CZ 2.85Å; E163-R274 IonicContact OE1-NE 3.2Å; E163-R274 PolarHBondContact OE1-NE 3.05Å; E163-R274 IonicContact OE1-NH2 3.36Å; E163-R274 PolarHBondContact OE1-NH2 3.31Å; E163-R274 IonicContact OE2-NH2 3.48Å; E163-R274 PolarHBondContact OE2-NH2 2.78Å
164I92.1Very high87.7Confident0 Ų060.6 Ų60.60%030%0.298CS..EExtended strand (participates in β ladder)trans-117.9128.6172.6-58.2177.9000107.5F60 F65 I68 L69 L72 Y157 K158 M182F60-I164 HydrophobicContact CE1-CD1 4.29Å; F60-I164 HydrophobicContact CZ-CD1 4.18Å; F65-I164 HydrophobicContact CE1-CD1 3.97Å; F65-I164 HydrophobicContact CE1-CG1 3.52Å; F65-I164 HydrophobicContact CE2-CG1 4.48Å; F65-I164 HydrophobicContact CZ-CD1 4.04Å; F65-I164 HydrophobicContact CZ-CG1 3.47Å; F65-I164 VanDerWaalsContact CZ-CG1 3.47Å; I68-I164 HydrophobicContact CG2-CD1 4.14Å; L69-I164 HydrophobicContact CD2-CD1 3.88Å; L69-I164 HydrophobicContact CD2-CG1 3.99Å; L69-I164 HydrophobicContact CD2-CG2 3.83Å; L69-I164 HydrophobicContact CG-CD1 4.17Å; L72-I164 HydrophobicContact CD1-CD1 4.14Å; Y157-I164 HydrophobicContact CD1-CG2 4.05Å; K158-I164 WeakPolarHBondContact O-CA 3.4Å; I164-M182 HydrophobicContact CB-CB 4.11Å; I164-M182 HydrophobicContact CB-CG 4.4Å; I164-M182 HydrophobicContact CG2-CB 4.32Å; I164-M182 HydrophobicContact CG2-CG 4.06Å; I164-M182 WeakPolarHBondContact O-CB 3.31Å; I164-M182 PolarHBondContact O-N 3.37Å
165T92.3Very high87.3Confident7 Ų765.8 Ų65.84%0.04333%0.331CS..EExtended strand (participates in β ladder)trans-111.6126.7172.963.20000110.1Y157 K158 V180Y157-T165 WeakPolarHBondContact CA-O 3.49Å; K158-T165 PolarHBondContact N-O 3.28Å; K158-T165 PolarHBondContact O-N 3.23Å; T165-V180 CarbonylContact C-O 3.59Å; T165-V180 WeakPolarHBondContact CA-O 3.43Å
166A92.1Very high86.7Confident0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-92.8125.7173.400000109.5P155 Y157 W168 K179 V180 M182P155-A166 HydrophobicContact CB-CB 3.7Å; P155-A166 HydrophobicContact CG-CB 4.11Å; Y157-A166 HydrophobicContact CD1-CB 4.11Å; Y157-A166 HydrophobicContact CE1-CB 4.16Å; A166-W168 HydrophobicContact CB-CH2 4Å; A166-W168 HydrophobicContact CB-CZ3 3.84Å; A166-K179 CarbonylContact O-C 3.49Å; A166-K179 VanDerWaalsContact O-CA 3.3Å; A166-K179 WeakPolarHBondContact O-CA 3.38Å; A166-V180 PolarHBondContact N-O 2.78Å; A166-V180 PolarHBondContact O-N 2.81Å; A166-M182 HydrophobicContact CB-CG 4.05Å; A166-M182 HydrophobicContact CB-SD 3.87Å
167E92Very high86.3Confident53 Ų5370.2 Ų70.225%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-129.4115.3-175.2-175.6-178.3124.700111.3T156 K158 K178 K179T156-E167 PolarHBondContact N-O 2.77Å; T156-E167 PolarHBondContact O-N 2.77Å; T156-E167 PolarHBondContact OG1-O 3.1Å; K158-E167 WeakPolarHBondContact CE-OE2 3.46Å; K158-E167 IonicContact NZ-OE1 2.82Å; K158-E167 PolarHBondContact NZ-OE1 2.91Å; K158-E167 IonicContact NZ-OE2 3.97Å; K158-E167 PolarHBondContact NZ-OE2 3.04Å; E167-K178 CarbonylContact C-O 3.59Å; E167-K178 WeakPolarHBondContact CA-O 3.06Å; E167-K179 HydrophobicContact CB-CG 4.39Å; E167-K179 HydrophobicContact CG-CB 4.43Å
168W90.4Very high86Confident4 Ų476.5 Ų76.52%0.01537%0.374CS..  trans-86.8135.7-179.2-78.1-97000111.7Y77 F153 P155 A166 L171 K178 V180Y77-W168 HydrophobicContact CD1-CH2 4.34Å; Y77-W168 AromaticContact CD1-CZ2 3.82Å; Y77-W168 HydrophobicContact CD1-CZ2 3.82Å; Y77-W168 HydrophobicContact CD2-CH2 4.27Å; Y77-W168 HydrophobicContact CD2-CZ2 4.16Å; Y77-W168 HydrophobicContact CE1-CH2 4.03Å; Y77-W168 AromaticContact CE1-CZ2 3.92Å; Y77-W168 HydrophobicContact CE1-CZ2 3.92Å; Y77-W168 AromaticContact CE2-CH2 3.93Å; Y77-W168 HydrophobicContact CE2-CH2 3.93Å; Y77-W168 HydrophobicContact CE2-CZ2 4.23Å; Y77-W168 HydrophobicContact CG-CH2 4.47Å; Y77-W168 AromaticContact CG-CZ2 3.96Å; Y77-W168 HydrophobicContact CG-CZ2 3.96Å; Y77-W168 AromaticContact CZ-CH2 3.82Å; F153-W168 PolarHBondContact O-NE1 3.26Å; P155-W168 HydrophobicContact CB-CD2 3.73Å; P155-W168 HydrophobicContact CB-CE3 4.02Å; P155-W168 HydrophobicContact CB-CG 4.33Å; P155-W168 HydrophobicContact CB-CH2 3.96Å; P155-W168 HydrophobicContact CB-CZ2 3.67Å; P155-W168 HydrophobicContact CB-CZ3 4.13Å; P155-W168 HydrophobicContact CG-CD2 4.5Å; P155-W168 HydrophobicContact CG-CH2 4.04Å; P155-W168 HydrophobicContact CG-CZ2 3.56Å; A166-W168 HydrophobicContact CB-CH2 4Å; A166-W168 HydrophobicContact CB-CZ3 3.84Å; W168-L171 HydrophobicContact CB-CD2 4.07Å; W168-K178 PolarHBondContact N-O 2.68Å; W168-V180 HydrophobicContact CZ3-CB 4.25Å; W168-V180 HydrophobicContact CZ3-CG2 3.98Å
169K86Confident86Confident183 Ų18377.9 Ų77.980%0.79638%0.38SS*.SBendtrans-85-38.2172.1-73.2-168.6173.4-169.10112.7
170K83.3Confident86Confident138 Ų13875 Ų7560%0.637%0.373SS*.SBendtrans-122.2135.7169-68.3-174.7174-171.80107F153F153-K170 HydrophobicContact CD1-CB 4Å; F153-K170 HydrophobicContact CD1-CD 4.35Å; F153-K170 HydrophobicContact CD2-CB 3.88Å; F153-K170 HydrophobicContact CE1-CB 4.07Å; F153-K170 HydrophobicContact CE1-CD 3.65Å; F153-K170 HydrophobicContact CE1-CG 4.44Å; F153-K170 HydrophobicContact CE2-CB 3.93Å; F153-K170 HydrophobicContact CE2-CD 4.29Å; F153-K170 HydrophobicContact CG-CB 3.92Å; F153-K170 HydrophobicContact CZ-CB 4.04Å; F153-K170 HydrophobicContact CZ-CD 3.62Å; F153-K170 HydrophobicContact CZ-CG 4.48Å
171L82.6Confident86.1Confident68 Ų6874.5 Ų74.536%0.35637%0.371SS..  trans-81.8157.4175.3-57178.8000109.7F153 W168 Q176 K178F153-L171 WeakPolarHBondContact CD2-O 3.35Å; W168-L171 HydrophobicContact CB-CD2 4.07Å; L171-Q176 HydrophobicContact CB-CB 4.45Å; L171-Q176 WeakPolarHBondContact CD1-O 3.23Å; L171-Q176 HydrophobicContact CD2-CB 4.27Å; L171-Q176 HydrophobicContact CD2-CG 4.38Å; L171-Q176 WeakPolarHBondContact CD2-O 3.43Å; L171-K178 HydrophobicContact CD2-CB 4.36Å
172N82.3Confident86.3Confident44 Ų4473 Ų7324%0.23535%0.353CS..SBendtrans-91.5-30.9172.1-61.4-81.5000112.2R152 F153 Q176R152-N172 WeakPolarHBondContact CA-OD1 3.38Å; R152-N172 VanDerWaalsContact CB-OD1 3.24Å; R152-N172 WeakPolarHBondContact CB-OD1 3.39Å; F153-N172 PolarHBondContact N-OD1 3.22Å; F153-N172 PolarHBondContact O-ND2 3.15Å; N172-Q176 PolarHBondContact ND2-OE1 2.93Å
173E81.9Confident86.5Confident86 Ų8674.3 Ų74.340%0.40236%0.364SS..SBendtrans-141.8139.6-172-68.2159.6-152.700106.2R152 T175 Q176R152-E173 IonicContact CZ-OE1 3.16Å; R152-E173 IonicContact NH1-OE1 2.77Å; R152-E173 PolarHBondContact NH1-OE1 2.97Å; R152-E173 IonicContact NH2-OE1 3.53Å; R152-E173 PolarHBondContact NH2-OE1 3.44Å; E173-T175 PolarHBondContact O-N 2.93Å; E173-Q176 HydrophobicContact CB-CB 4.47Å; E173-Q176 WeakPolarHBondContact O-CB 3.47Å; E173-Q176 PolarHBondContact O-N 2.73Å
174E76Confident86.6Confident201 Ų20172.2 Ų72.294%0.93936%0.357SS*.THydrogen-bonded Turntrans-64.9-25.2-174.8-62.3-170.3143.800113.3Q176E174-Q176 PolarHBondContact O-N 2.64Å
175T80.8Confident86.7Confident129 Ų12975.8 Ų75.879%0.79137%0.373SS*.THydrogen-bonded Turntrans-75.4-6.2174.250.60000113.8E173 E177E173-T175 PolarHBondContact O-N 2.93Å; T175-E177 PolarHBondContact O-N 3.18Å
176Q79.1Confident86.7Confident28 Ų2879.4 Ų79.413%0.13139%0.386CS..SBendtrans-78122.6-174.8-171.2-175.5-3.800112L171 N172 E173 E174 K178L171-Q176 HydrophobicContact CB-CB 4.45Å; L171-Q176 WeakPolarHBondContact CD1-O 3.23Å; L171-Q176 HydrophobicContact CD2-CB 4.27Å; L171-Q176 HydrophobicContact CD2-CG 4.38Å; L171-Q176 WeakPolarHBondContact CD2-O 3.43Å; N172-Q176 PolarHBondContact ND2-OE1 2.93Å; E173-Q176 HydrophobicContact CB-CB 4.47Å; E173-Q176 WeakPolarHBondContact O-CB 3.47Å; E173-Q176 PolarHBondContact O-N 2.73Å; E174-Q176 PolarHBondContact O-N 2.64Å; Q176-K178 PolarHBondContact O-N 2.89Å
177E81.1Confident86.8Confident132 Ų13279.4 Ų79.462%0.61739%0.386SS*.  trans-58.5127.7171.8-73.8-169.3165.800112.2T175 K179 V180T175-E177 PolarHBondContact O-N 3.18Å; E177-K179 PolarHBondContact O-N 2.68Å; E177-V180 HydrophobicContact CB-CG2 3.74Å
178K87.4Confident86.9Confident139 Ų13977 Ų7760%0.60438%0.375SS*.SBendtrans-62.2-28.6-180-172.5173.5-178.6173.30113.8E167 W168 L171 Q176E167-K178 CarbonylContact C-O 3.59Å; E167-K178 WeakPolarHBondContact CA-O 3.06Å; W168-K178 PolarHBondContact N-O 2.68Å; L171-K178 HydrophobicContact CD2-CB 4.36Å; Q176-K178 PolarHBondContact O-N 2.89Å
179K89.9Confident87.1Confident120 Ų12080.9 Ų80.952%0.52240%0.396SS..EExtended strand (participates in β ladder)trans-144.6111.1-178.2-177.1-170.6172.5-166.90111A166 E167 E177A166-K179 CarbonylContact O-C 3.49Å; A166-K179 VanDerWaalsContact O-CA 3.3Å; A166-K179 WeakPolarHBondContact O-CA 3.38Å; E167-K179 HydrophobicContact CB-CG 4.39Å; E167-K179 HydrophobicContact CG-CB 4.43Å; E177-K179 PolarHBondContact O-N 2.68Å
180V89.1Confident87.5Confident38 Ų3872.2 Ų72.223%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-112.1140.9-177.8-178.60000110.1T165 A166 W168 E177T165-V180 CarbonylContact C-O 3.59Å; T165-V180 WeakPolarHBondContact CA-O 3.43Å; A166-V180 PolarHBondContact N-O 2.78Å; A166-V180 PolarHBondContact O-N 2.81Å; W168-V180 HydrophobicContact CZ3-CB 4.25Å; W168-V180 HydrophobicContact CZ3-CG2 3.98Å; E177-V180 HydrophobicContact CB-CG2 3.74Å
181T88.5Confident88.1Confident76 Ų7665.7 Ų65.747%0.46633%0.33SS..EExtended strand (participates in β ladder)trans-86.9123.9169-58.50000109.8E163 S183E163-T181 HydrophobicContact CB-CG2 4.33Å; T181-S183 PolarHBondContact O-N 2.88Å
182M89.2Confident88.7Confident8 Ų866.9 Ų66.94%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-78.9117-175.8-63.6-65.4-64.200111.2Y77 I164 A166 R186 V187 I190Y77-M182 HydrophobicContact CD2-CE 4.39Å; Y77-M182 HydrophobicContact CE2-CE 3.75Å; Y77-M182 HydrophobicContact CE2-SD 3.72Å; I164-M182 HydrophobicContact CB-CB 4.11Å; I164-M182 HydrophobicContact CB-CG 4.4Å; I164-M182 HydrophobicContact CG2-CB 4.32Å; I164-M182 HydrophobicContact CG2-CG 4.06Å; I164-M182 WeakPolarHBondContact O-CB 3.31Å; I164-M182 PolarHBondContact O-N 3.37Å; A166-M182 HydrophobicContact CB-CG 4.05Å; A166-M182 HydrophobicContact CB-SD 3.87Å; M182-R186 HydrophobicContact CE-CB 4.23Å; M182-R186 HydrophobicContact CE-CG 3.69Å; M182-V187 HydrophobicContact CB-CG2 4.12Å; M182-V187 HydrophobicContact CE-CG2 3.75Å; M182-I190 HydrophobicContact CE-CD1 3.99Å
183S90.7Very high89.1Confident52 Ų5266.8 Ų66.836%0.36434%0.341SS..PPolyproline II helixtrans-68.4153.8165.269.10000110.9T181 E185 R186 V187T181-S183 PolarHBondContact O-N 2.88Å; S183-E185 PolarHBondContact O-N 3.45Å; S183-R186 PolarHBondContact O-N 3.34Å; S183-R186 WeakPolarHBondContact OG-CB 3.4Å; S183-R186 PolarHBondContact OG-N 3.18Å; S183-R186 VanDerWaalsContact OG-N 3.1Å; S183-V187 PolarHBondContact O-N 2.69Å
184A92.2Very high89.7Confident11 Ų1162.9 Ų62.99%0.09132%0.323CS..Hα-helixtrans-64-31.3173.600000112P58 F60 V187 L188 I215P58-A184 HydrophobicContact CB-CB 4.19Å; P58-A184 VanDerWaalsContact O-CB 3.31Å; P58-A184 WeakPolarHBondContact O-CB 3.37Å; F60-A184 HydrophobicContact CD1-CB 4.2Å; F60-A184 HydrophobicContact CD2-CB 4.21Å; F60-A184 HydrophobicContact CE1-CB 3.99Å; F60-A184 HydrophobicContact CE2-CB 4Å; F60-A184 HydrophobicContact CG-CB 4.31Å; F60-A184 HydrophobicContact CZ-CB 3.89Å; A184-V187 PolarHBondContact O-N 2.8Å; A184-L188 VanDerWaalsContact O-CB 3.26Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 PolarHBondContact O-N 2.79Å; A184-I215 HydrophobicContact CB-CG2 4.16Å
185E92.8Very high90.4Very high74 Ų7456 Ų5635%0.34630%0.295SS..Hα-helixtrans-56.6-52.8169.9-65.3167.2136.600111.1K57 P58 S183 V187 L188 D189K57-E185 WeakPolarHBondContact CD-OE1 3.35Å; K57-E185 IonicContact NZ-OE1 2.71Å; K57-E185 PolarHBondContact NZ-OE1 3.02Å; P58-E185 HydrophobicContact CG-CG 3.78Å; S183-E185 PolarHBondContact O-N 3.45Å; E185-V187 VanDerWaalsContact C-N 3.3Å; E185-V187 PolarHBondContact O-N 2.83Å; E185-L188 WeakPolarHBondContact O-CA 3.49Å; E185-L188 WeakPolarHBondContact O-CB 3.28Å; E185-L188 PolarHBondContact O-N 2.95Å; E185-D189 PolarHBondContact O-N 2.77Å
186R93Very high91Very high83 Ų8353.5 Ų53.531%0.31328%0.277SS..Hα-helixtrans-63.9-33.8-177.4-177.761.4-168157.38.5113Y77 M182 S183 I190Y77-R186 PolarHBondContact O-NH2 3.04Å; Y77-R186 PolarHBondContact OH-NE 3.2Å; M182-R186 HydrophobicContact CE-CB 4.23Å; M182-R186 HydrophobicContact CE-CG 3.69Å; S183-R186 PolarHBondContact O-N 3.34Å; S183-R186 WeakPolarHBondContact OG-CB 3.4Å; S183-R186 PolarHBondContact OG-N 3.18Å; S183-R186 VanDerWaalsContact OG-N 3.1Å; R186-I190 HydrophobicContact CG-CD1 4.43Å; R186-I190 WeakPolarHBondContact O-CD1 3.39Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.48Å; R186-I190 PolarHBondContact O-N 3.18Å
187V94.5Very high91.4Very high0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-72.3-37.6174.2-177.50000111.2F60 I68 L72 M182 S183 A184 E185 I190 F191 I215F60-V187 HydrophobicContact CE1-CB 3.99Å; F60-V187 HydrophobicContact CE1-CG1 4.29Å; F60-V187 HydrophobicContact CE1-CG2 3.91Å; F60-V187 HydrophobicContact CZ-CB 4.45Å; F60-V187 HydrophobicContact CZ-CG2 3.94Å; I68-V187 HydrophobicContact CG2-CG1 3.93Å; L72-V187 HydrophobicContact CD1-CG1 3.98Å; L72-V187 HydrophobicContact CD1-CG2 4.05Å; L72-V187 HydrophobicContact CD2-CG1 4.1Å; L72-V187 HydrophobicContact CG-CG1 4.17Å; M182-V187 HydrophobicContact CB-CG2 4.12Å; M182-V187 HydrophobicContact CE-CG2 3.75Å; S183-V187 PolarHBondContact O-N 2.69Å; A184-V187 PolarHBondContact O-N 2.8Å; E185-V187 VanDerWaalsContact C-N 3.3Å; E185-V187 PolarHBondContact O-N 2.83Å; V187-I190 PolarHBondContact O-N 3.34Å; V187-F191 HydrophobicContact CG1-CD1 4.35Å; V187-F191 HydrophobicContact CG1-CD2 4.12Å; V187-F191 HydrophobicContact CG1-CE1 4.03Å; V187-F191 HydrophobicContact CG1-CE2 3.8Å; V187-F191 HydrophobicContact CG1-CG 4.4Å; V187-F191 HydrophobicContact CG1-CZ 3.75Å; V187-F191 WeakPolarHBondContact O-CB 3.38Å; V187-F191 WeakPolarHBondContact O-CG 3.29Å; V187-F191 PolarHBondContact O-N 2.99Å; V187-I215 HydrophobicContact CB-CD1 3.88Å; V187-I215 HydrophobicContact CG1-CD1 3.74Å
188L94.9Very high91.9Very high4 Ų451.6 Ų51.62%0.02127%0.268CS..Hα-helixtrans-62.3-41.4175.9177.966.8000111.7P58 A184 E185 F191 K192 D212 I215 Q217P58-L188 HydrophobicContact CB-CD2 4.23Å; P58-L188 HydrophobicContact CG-CD2 3.95Å; A184-L188 VanDerWaalsContact O-CB 3.26Å; A184-L188 WeakPolarHBondContact O-CB 3.48Å; A184-L188 PolarHBondContact O-N 2.79Å; E185-L188 WeakPolarHBondContact O-CA 3.49Å; E185-L188 WeakPolarHBondContact O-CB 3.28Å; E185-L188 PolarHBondContact O-N 2.95Å; L188-F191 PolarHBondContact O-N 2.98Å; L188-K192 HydrophobicContact CD1-CD 4.42Å; L188-K192 HydrophobicContact CD1-CG 4.42Å; L188-K192 HydrophobicContact CG-CD 4.14Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 VanDerWaalsContact O-CG 3.31Å; L188-K192 WeakPolarHBondContact O-CG 3.46Å; L188-K192 PolarHBondContact O-N 3.33Å; L188-D212 HydrophobicContact CD1-CB 3.87Å; L188-I215 HydrophobicContact CB-CD1 3.88Å; L188-I215 HydrophobicContact CB-CG2 4.39Å; L188-I215 HydrophobicContact CD1-CB 4.31Å; L188-Q217 HydrophobicContact CD2-CG 3.89Å
189D94.5Very high92Very high84 Ų8445 Ų4545%0.44924%0.24SC..Hα-helixtrans-64.1-45.7176-62-27.9000111.8E185 F191 K192 G193E185-D189 PolarHBondContact O-N 2.77Å; D189-F191 VanDerWaalsContact C-N 3.28Å; D189-F191 PolarHBondContact O-N 2.81Å; D189-K192 PolarHBondContact O-N 2.91Å; D189-G193 PolarHBondContact O-N 3.17Å; D189-G193 VanDerWaalsContact O-N 3.16Å
190I94.4Very high92Very high2 Ų241.7 Ų41.71%0.0123%0.232CC..Hα-helixtrans-58.4-43175.1-67.1165.5000110.1L72 V75 Y77 S80 M182 R186 V187 G193L72-I190 HydrophobicContact CD2-CD1 4.31Å; L72-I190 HydrophobicContact CD2-CG2 4.34Å; V75-I190 HydrophobicContact CG2-CG2 3.87Å; Y77-I190 HydrophobicContact CD2-CD1 3.86Å; Y77-I190 HydrophobicContact CE2-CD1 4.06Å; Y77-I190 HydrophobicContact CG-CD1 4.49Å; S80-I190 VanDerWaalsContact CB-O 3.3Å; S80-I190 WeakPolarHBondContact CB-O 3.47Å; S80-I190 WeakPolarHBondContact OG-CA 3.4Å; S80-I190 PolarHBondContact OG-O 3.38Å; M182-I190 HydrophobicContact CE-CD1 3.99Å; R186-I190 HydrophobicContact CG-CD1 4.43Å; R186-I190 WeakPolarHBondContact O-CD1 3.39Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.48Å; R186-I190 PolarHBondContact O-N 3.18Å; V187-I190 PolarHBondContact O-N 3.34Å; I190-G193 PolarHBondContact O-N 2.79Å
191F95.1Very high92.1Very high1 Ų140.4 Ų40.40%0.00422%0.224CC..Hα-helixtrans-73.2-34.8-179.4-72.50.5000113.7I68 I71 L72 V187 L188 D189 G193 I194 P211 D212 I215I68-F191 HydrophobicContact CB-CE2 4.36Å; I68-F191 HydrophobicContact CB-CZ 4.4Å; I68-F191 HydrophobicContact CG1-CE2 4.21Å; I68-F191 HydrophobicContact CG2-CE2 3.94Å; I68-F191 HydrophobicContact CG2-CZ 3.86Å; I71-F191 HydrophobicContact CB-CE1 3.94Å; I71-F191 HydrophobicContact CB-CZ 3.78Å; I71-F191 HydrophobicContact CD1-CE2 4.4Å; I71-F191 HydrophobicContact CD1-CZ 4.29Å; I71-F191 HydrophobicContact CG2-CD1 4.08Å; I71-F191 HydrophobicContact CG2-CE1 3.48Å; I71-F191 VanDerWaalsContact CG2-CE1 3.48Å; I71-F191 HydrophobicContact CG2-CZ 3.78Å; L72-F191 HydrophobicContact CD2-CE1 3.96Å; L72-F191 HydrophobicContact CG-CE1 3.89Å; L72-F191 HydrophobicContact CG-CZ 4.04Å; V187-F191 HydrophobicContact CG1-CD1 4.35Å; V187-F191 HydrophobicContact CG1-CD2 4.12Å; V187-F191 HydrophobicContact CG1-CE1 4.03Å; V187-F191 HydrophobicContact CG1-CE2 3.8Å; V187-F191 HydrophobicContact CG1-CG 4.4Å; V187-F191 HydrophobicContact CG1-CZ 3.75Å; V187-F191 WeakPolarHBondContact O-CB 3.38Å; V187-F191 WeakPolarHBondContact O-CG 3.29Å; V187-F191 PolarHBondContact O-N 2.99Å; L188-F191 PolarHBondContact O-N 2.98Å; D189-F191 VanDerWaalsContact C-N 3.28Å; D189-F191 PolarHBondContact O-N 2.81Å; F191-G193 PolarHBondContact O-N 3.41Å; F191-I194 HydrophobicContact CB-CD1 4.4Å; F191-I194 HydrophobicContact CD1-CD1 3.86Å; F191-I194 HydrophobicContact CG-CD1 4.36Å; F191-I194 WeakPolarHBondContact O-CB 3.39Å; F191-I194 PolarHBondContact O-N 2.75Å; F191-P211 HydrophobicContact CB-CB 4.16Å; F191-P211 HydrophobicContact CD2-CB 3.94Å; F191-P211 VanDerWaalsContact CD2-O 3.28Å; F191-P211 WeakPolarHBondContact CD2-O 3.4Å; F191-P211 HydrophobicContact CE2-CB 4.45Å; F191-P211 HydrophobicContact CG-CB 4Å; F191-D212 HydrophobicContact CB-CB 4.02Å; F191-I215 HydrophobicContact CD2-CD1 4.26Å
192K94Very high92.1Very high93 Ų9336.8 Ų36.840%0.40420%0.201SC..Hα-helixtrans-61.6-31.4172.2-78.7171.3177.4170.80112.2L188 D189 I194 D212L188-K192 HydrophobicContact CD1-CD 4.42Å; L188-K192 HydrophobicContact CD1-CG 4.42Å; L188-K192 HydrophobicContact CG-CD 4.14Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 VanDerWaalsContact O-CG 3.31Å; L188-K192 WeakPolarHBondContact O-CG 3.46Å; L188-K192 PolarHBondContact O-N 3.33Å; D189-K192 PolarHBondContact O-N 2.91Å; K192-I194 VanDerWaalsContact C-N 3.33Å; K192-D212 HydrophobicContact CG-CB 4.12Å
193G92.4Very high92Very high41 Ų4136.6 Ų36.642%0.42320%0.201SC..THydrogen-bonded Turntrans-77.8-4.2175.900000116S80 D189 I190 F191S80-G193 VanDerWaalsContact CB-O 3.27Å; S80-G193 WeakPolarHBondContact CB-O 3.41Å; D189-G193 PolarHBondContact O-N 3.17Å; D189-G193 VanDerWaalsContact O-N 3.16Å; I190-G193 PolarHBondContact O-N 2.79Å; F191-G193 PolarHBondContact O-N 3.41Å
194I92.9Very high92Very high5 Ų534.3 Ų34.33%0.02619%0.185CC..SBendtrans-74.2128.9175.4-59.4173.1000108.7I71 V75 F191 K192 D198 C199 P211I71-I194 HydrophobicContact CG2-CD1 3.87Å; V75-I194 HydrophobicContact CG1-CD1 3.94Å; V75-I194 HydrophobicContact CG1-CG1 4.16Å; V75-I194 HydrophobicContact CG2-CD1 4.44Å; F191-I194 HydrophobicContact CB-CD1 4.4Å; F191-I194 HydrophobicContact CD1-CD1 3.86Å; F191-I194 HydrophobicContact CG-CD1 4.36Å; F191-I194 WeakPolarHBondContact O-CB 3.39Å; F191-I194 PolarHBondContact O-N 2.75Å; K192-I194 VanDerWaalsContact C-N 3.33Å; I194-D198 HydrophobicContact CG2-CB 3.9Å; I194-C199 HydrophobicContact CG2-CB 4.42Å; I194-P211 HydrophobicContact CD1-CB 4.12Å; I194-P211 HydrophobicContact CD1-CG 4.15Å
195T91.9Very high92Very high57 Ų5735.7 Ų35.735%0.3519%0.191SC..  trans-74.4154.7176.980.80000111.2E197 D198 C199T195-E197 WeakPolarHBondContact CB-OE2 3.3Å; T195-E197 PolarHBondContact O-N 2.69Å; T195-E197 PolarHBondContact OG1-OE2 3.34Å; T195-D198 PolarHBondContact O-N 3.23Å; T195-D198 PolarHBondContact OG1-N 3.14Å; T195-C199 PolarHBondContact O-N 2.91Å
196D92.7Very high91.9Very high76 Ų7633.4 Ų33.441%0.40618%0.182SC..Hα-helixtrans-66.1-24.4-175.4-71.9-19.6000113C199 S200 P206 R210D196-C199 WeakPolarHBondContact O-CB 3.21Å; D196-S200 WeakPolarHBondContact O-CB 3.34Å; D196-S200 PolarHBondContact O-N 2.96Å; D196-S200 PolarHBondContact O-OG 2.77Å; D196-P206 HydrophobicContact CB-CB 3.95Å; D196-P206 HydrophobicContact CB-CG 3.93Å; D196-P206 WeakPolarHBondContact OD1-CB 3.35Å; D196-R210 IonicContact OD1-CZ 3.82Å; D196-R210 VanDerWaalsContact OD1-CZ 3.27Å; D196-R210 IonicContact OD1-NE 2.99Å; D196-R210 PolarHBondContact OD1-NE 3.17Å; D196-R210 IonicContact OD1-NH2 3.06Å; D196-R210 PolarHBondContact OD1-NH2 3.25Å
197E88.7Confident91.9Very high109 Ų10937.7 Ų37.751%0.50920%0.199SC..Hα-helixtrans-82-28.8172.6-27.687.715200112.5R86 T195 S200 L201R86-E197 IonicContact NH2-OE2 3.58Å; T195-E197 WeakPolarHBondContact CB-OE2 3.3Å; T195-E197 PolarHBondContact O-N 2.69Å; T195-E197 PolarHBondContact OG1-OE2 3.34Å; E197-S200 PolarHBondContact O-N 2.96Å; E197-L201 WeakPolarHBondContact O-CB 3.44Å; E197-L201 PolarHBondContact O-N 2.99Å
198D90.2Very high91.8Very high10 Ų1044.7 Ų44.75%0.05323%0.226CC..Hα-helixtrans-70.4-36.5168.5-93.57.4000111.2K81 V82 R86 I194 T195 S200 L201 L202K81-D198 WeakPolarHBondContact CA-OD2 3.48Å; V82-D198 HydrophobicContact CG2-CB 3.86Å; V82-D198 PolarHBondContact N-OD2 2.84Å; R86-D198 IonicContact CZ-OD1 2.76Å; R86-D198 IonicContact NE-OD1 2.7Å; R86-D198 PolarHBondContact NE-OD1 3.18Å; R86-D198 IonicContact NH2-OD1 3.14Å; R86-D198 PolarHBondContact NH2-OD1 3Å; I194-D198 HydrophobicContact CG2-CB 3.9Å; T195-D198 PolarHBondContact O-N 3.23Å; T195-D198 PolarHBondContact OG1-N 3.14Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 3.41Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 2.9Å; D198-L202 VanDerWaalsContact O-CG 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.36Å; D198-L202 PolarHBondContact O-N 2.93Å
199C91.1Very high91.6Very high1 Ų144.9 Ų44.91%0.00723%0.228CC..Hα-helixtrans-57.3-46167.6-178.70000111.2I194 T195 D196 L201 L202 G203 M204I194-C199 HydrophobicContact CG2-CB 4.42Å; T195-C199 PolarHBondContact O-N 2.91Å; D196-C199 WeakPolarHBondContact O-CB 3.21Å; C199-L201 PolarHBondContact O-N 3.33Å; C199-L202 PolarHBondContact O-N 3.46Å; C199-G203 PolarHBondContact O-N 3.32Å; C199-M204 CarbonylContact C-O 3.59Å; C199-M204 PolarHBondContact O-N 3.43Å; C199-M204 VanDerWaalsContact O-O 3.13Å; C199-M204 PolarHBondContact SG-O 2.82Å
200S90Very high91.6Very high51 Ų5143.6 Ų43.636%0.35722%0.217SC..Hα-helixtrans-66.2-34.7177.3-59.50000113.2R105 D196 E197 D198 G203R105-S200 PolarHBondContact NH1-O 2.72Å; D196-S200 WeakPolarHBondContact O-CB 3.34Å; D196-S200 PolarHBondContact O-N 2.96Å; D196-S200 PolarHBondContact O-OG 2.77Å; E197-S200 PolarHBondContact O-N 2.96Å; D198-S200 VanDerWaalsContact C-N 3.32Å; D198-S200 PolarHBondContact O-N 3.41Å; S200-G203 PolarHBondContact O-N 3.21Å
201L89.4Confident91.5Very high11 Ų1143.6 Ų43.66%0.05822%0.217CC..Hα-helixtrans-65.5-42.8173.1177.565.5000111.8V82 R86 V91 I95 R105 I109 E197 D198 C199 G203V82-L201 HydrophobicContact CB-CD2 4.2Å; V82-L201 HydrophobicContact CG1-CD2 3.93Å; V82-L201 HydrophobicContact CG2-CD2 4.31Å; R86-L201 HydrophobicContact CG-CD2 3.92Å; V91-L201 HydrophobicContact CG1-CD1 3.88Å; I95-L201 HydrophobicContact CD1-CD1 3.77Å; I95-L201 HydrophobicContact CG1-CD1 4.15Å; R105-L201 WeakPolarHBondContact CD-O 3.32Å; R105-L201 WeakPolarHBondContact CG-O 3.32Å; I109-L201 HydrophobicContact CD1-CD1 4.28Å; E197-L201 WeakPolarHBondContact O-CB 3.44Å; E197-L201 PolarHBondContact O-N 2.99Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 2.9Å; C199-L201 PolarHBondContact O-N 3.33Å; L201-G203 PolarHBondContact O-N 3.06Å
202L89.9Confident91.4Very high0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-65.8-12.3173.2-69169.7000113.1I71 C74 V75 V82 L106 I109 D198 C199I71-L202 HydrophobicContact CG2-CD1 4.22Å; C74-L202 HydrophobicContact CB-CD2 3.5Å; V75-L202 HydrophobicContact CG1-CD1 4.23Å; V82-L202 HydrophobicContact CG2-CD1 4.27Å; V82-L202 HydrophobicContact CG2-CD2 4.23Å; V82-L202 HydrophobicContact CG2-CG 4.09Å; L106-L202 VanDerWaalsContact CA-O 3.31Å; L106-L202 WeakPolarHBondContact CA-O 3.46Å; L106-L202 VanDerWaalsContact CB-O 3.24Å; L106-L202 WeakPolarHBondContact CB-O 3.44Å; L106-L202 HydrophobicContact CD1-CB 4.35Å; L106-L202 HydrophobicContact CD1-CD2 4.29Å; L106-L202 WeakPolarHBondContact CD1-O 3.49Å; I109-L202 HydrophobicContact CG2-CD2 4.17Å; D198-L202 VanDerWaalsContact O-CG 3.29Å; D198-L202 WeakPolarHBondContact O-CG 3.36Å; D198-L202 PolarHBondContact O-N 2.93Å; C199-L202 PolarHBondContact O-N 3.46Å
203G87.5Confident91.4Very high3 Ų346.1 Ų46.13%0.03123%0.225CC..THydrogen-bonded Turntrans84.141179.700000113.2P102 C199 S200 L201 H1387P102-G203 VanDerWaalsContact CB-O 3.26Å; P102-G203 WeakPolarHBondContact CB-O 3.49Å; C199-G203 PolarHBondContact O-N 3.32Å; S200-G203 PolarHBondContact O-N 3.21Å; L201-G203 PolarHBondContact O-N 3.06Å; G203-H1387 PolarHBondContact O-ND1 2.89Å
204M90.5Very high91.5Very high4 Ų444.6 Ų44.62%0.0221%0.207CC..  trans-130136.9173.7-61-176.2178.900109.4I71 L106 C199 P206 P211 M214 C1386I71-M204 HydrophobicContact CD1-CE 3.87Å; I71-M204 HydrophobicContact CD1-SD 4.12Å; I71-M204 HydrophobicContact CG1-CE 4.16Å; L106-M204 HydrophobicContact CD1-CE 4.41Å; L106-M204 HydrophobicContact CD2-CE 3.81Å; C199-M204 CarbonylContact C-O 3.59Å; C199-M204 PolarHBondContact O-N 3.43Å; C199-M204 VanDerWaalsContact O-O 3.13Å; C199-M204 PolarHBondContact SG-O 2.82Å; M204-P206 WeakPolarHBondContact O-CD 3.5Å; M204-P211 HydrophobicContact SD-CG 4.13Å; M204-M214 HydrophobicContact CE-CE 3.85Å; M204-M214 HydrophobicContact SD-CE 3.87Å; M204-C1386 WeakPolarHBondContact CG-O 3.3Å
205D90.8Very high91.6Very high40 Ų4044.5 Ų44.521%0.21421%0.207CC..  trans-83.5116.9177-169.7-40.7000109.6R207 Y208 A209 A1388D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.42Å; D205-R207 WeakPolarHBondContact OD1-CG 3.38Å; D205-R207 IonicContact OD1-CZ 2.71Å; D205-R207 PolarHBondContact OD1-N 3.42Å; D205-R207 IonicContact OD1-NE 2.85Å; D205-R207 PolarHBondContact OD1-NE 3.33Å; D205-R207 IonicContact OD1-NH2 3.26Å; D205-R207 IonicContact OD2-CZ 3.36Å; D205-R207 IonicContact OD2-NE 2.72Å; D205-R207 PolarHBondContact OD2-NE 3.08Å; D205-R207 IonicContact OD2-NH2 2.69Å; D205-R207 PolarHBondContact OD2-NH2 2.89Å; D205-Y208 HydrophobicContact CB-CD2 4.3Å; D205-Y208 PolarHBondContact O-N 3.34Å; D205-Y208 VanDerWaalsContact O-N 3.09Å; D205-A209 PolarHBondContact O-N 3.42Å; D205-A1388 HydrophobicContact CB-CB 4.16Å
206P91.9Very high91.7Very high27 Ų2743 Ų4318%0.17520%0.197CC..THydrogen-bonded Turntrans-63.2-16.5-176.226.2-35.1000113.6D196 M204 R210D196-P206 HydrophobicContact CB-CB 3.95Å; D196-P206 HydrophobicContact CB-CG 3.93Å; D196-P206 WeakPolarHBondContact OD1-CB 3.35Å; M204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-R210 HydrophobicContact CB-CG 4.48Å
207R92.5Very high91.8Very high173 Ų17343.3 Ų43.365%0.65320%0.195SC*.THydrogen-bonded Turntrans-79.8-22.4177.5-56.2172.1-66.6173.72113.5D205D205-R207 PolarHBondContact O-N 3.16Å; D205-R207 VanDerWaalsContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CB 3.42Å; D205-R207 WeakPolarHBondContact OD1-CG 3.38Å; D205-R207 IonicContact OD1-CZ 2.71Å; D205-R207 PolarHBondContact OD1-N 3.42Å; D205-R207 IonicContact OD1-NE 2.85Å; D205-R207 PolarHBondContact OD1-NE 3.33Å; D205-R207 IonicContact OD1-NH2 3.26Å; D205-R207 IonicContact OD2-CZ 3.36Å; D205-R207 IonicContact OD2-NE 2.72Å; D205-R207 PolarHBondContact OD2-NE 3.08Å; D205-R207 IonicContact OD2-NH2 2.69Å; D205-R207 PolarHBondContact OD2-NH2 2.89Å
208Y92.1Very high92.1Very high146 Ų14641.4 Ų41.457%0.57319%0.191SC*.THydrogen-bonded Turntrans-131.9-23.9-168-61.3-62.4000114.5D205 W213 A1388D205-Y208 HydrophobicContact CB-CD2 4.3Å; D205-Y208 PolarHBondContact O-N 3.34Å; D205-Y208 VanDerWaalsContact O-N 3.09Å; Y208-W213 VanDerWaalsContact C-CZ3 3.49Å; Y208-A1388 HydrophobicContact CD2-CB 4.35Å; Y208-A1388 HydrophobicContact CG-CB 4.41Å
209A91.4Very high92.2Very high9 Ų941.5 Ų41.57%0.07419%0.192CC..  trans-148.251.1-171.500000112.4D205 A1385 A1388D205-A209 PolarHBondContact O-N 3.42Å; A209-A1385 WeakPolarHBondContact CB-O 3.2Å; A209-A1388 HydrophobicContact CB-CB 4.39Å
210R93.5Very high92.4Very high57 Ų5745.2 Ų45.222%0.21522%0.216CC..  trans-69.4137.8-179.3-143.8173.8-172.4-102.31.7111.3D196 P206 D212 W213D196-R210 IonicContact OD1-CZ 3.82Å; D196-R210 VanDerWaalsContact OD1-CZ 3.27Å; D196-R210 IonicContact OD1-NE 2.99Å; D196-R210 PolarHBondContact OD1-NE 3.17Å; D196-R210 IonicContact OD1-NH2 3.06Å; D196-R210 PolarHBondContact OD1-NH2 3.25Å; P206-R210 HydrophobicContact CB-CG 4.48Å; R210-D212 VanDerWaalsContact C-N 3.29Å; R210-D212 WeakPolarHBondContact CB-OD1 3.2Å; R210-D212 WeakPolarHBondContact CD-OD1 3.39Å; R210-D212 WeakPolarHBondContact CG-OD1 3.47Å; R210-D212 IonicContact NH1-OD1 3.36Å; R210-D212 PolarHBondContact O-N 3.33Å; R210-W213 HydrophobicContact CB-CD2 3.88Å; R210-W213 HydrophobicContact CB-CE3 4.37Å; R210-W213 HydrophobicContact CB-CG 4.24Å; R210-W213 HydrophobicContact CB-CH2 4.44Å; R210-W213 HydrophobicContact CB-CZ2 3.94Å; R210-W213 WeakPolarHBondContact O-CB 3.47Å; R210-W213 PolarHBondContact O-N 3.26Å
211P93.2Very high92.6Very high1 Ų142.9 Ų42.91%0.00620%0.199CC..G310 helixtrans-53.4-37.4-174.1-33.638000115.9I71 F191 I194 M204 W213 M214I71-P211 HydrophobicContact CD1-CB 4.09Å; I71-P211 HydrophobicContact CD1-CG 4.44Å; I71-P211 HydrophobicContact CG2-CB 4.43Å; F191-P211 HydrophobicContact CB-CB 4.16Å; F191-P211 HydrophobicContact CD2-CB 3.94Å; F191-P211 VanDerWaalsContact CD2-O 3.28Å; F191-P211 WeakPolarHBondContact CD2-O 3.4Å; F191-P211 HydrophobicContact CE2-CB 4.45Å; F191-P211 HydrophobicContact CG-CB 4Å; I194-P211 HydrophobicContact CD1-CB 4.12Å; I194-P211 HydrophobicContact CD1-CG 4.15Å; M204-P211 HydrophobicContact SD-CG 4.13Å; P211-W213 PolarHBondContact O-N 3.43Å; P211-M214 WeakPolarHBondContact O-CB 3.46Å; P211-M214 WeakPolarHBondContact O-CG 3.3Å; P211-M214 PolarHBondContact O-N 3.47Å; P211-M214 VanDerWaalsContact O-N 3.14Å
212D93.8Very high92.8Very high15 Ų1543.1 Ų43.18%0.0820%0.202CC..G310 helixtrans-63-26.1-179.555.9-59.2000112.9L188 F191 K192 R210 M214 I215L188-D212 HydrophobicContact CD1-CB 3.87Å; F191-D212 HydrophobicContact CB-CB 4.02Å; K192-D212 HydrophobicContact CG-CB 4.12Å; R210-D212 VanDerWaalsContact C-N 3.29Å; R210-D212 WeakPolarHBondContact CB-OD1 3.2Å; R210-D212 WeakPolarHBondContact CD-OD1 3.39Å; R210-D212 WeakPolarHBondContact CG-OD1 3.47Å; R210-D212 IonicContact NH1-OD1 3.36Å; R210-D212 PolarHBondContact O-N 3.33Å; D212-M214 PolarHBondContact O-N 3.32Å; D212-I215 PolarHBondContact O-N 3.06Å
213W94Very high93Very high133 Ų13343.3 Ų43.350%0.50420%0.203SC..G310 helixtrans-74-8.4178.2-52.4-7.4000113.2Y208 R210 P211 I215Y208-W213 VanDerWaalsContact C-CZ3 3.49Å; R210-W213 HydrophobicContact CB-CD2 3.88Å; R210-W213 HydrophobicContact CB-CE3 4.37Å; R210-W213 HydrophobicContact CB-CG 4.24Å; R210-W213 HydrophobicContact CB-CH2 4.44Å; R210-W213 HydrophobicContact CB-CZ2 3.94Å; R210-W213 WeakPolarHBondContact O-CB 3.47Å; R210-W213 PolarHBondContact O-N 3.26Å; P211-W213 PolarHBondContact O-N 3.43Å; W213-I215 PolarHBondContact O-N 3.02Å
214M93.4Very high93.2Very high8 Ų843.5 Ų43.54%0.03920%0.203CC..G310 helixtrans-72.5-6.2170.8-58.4-169.8-174.700112.9H61 F64 K67 I68 I71 M204 P211 D212 C1386H61-M214 VanDerWaalsContact CB-O 3.31Å; H61-M214 WeakPolarHBondContact CB-O 3.36Å; H61-M214 PolarHBondContact N-O 3.21Å; F64-M214 HydrophobicContact CB-CB 3.92Å; F64-M214 HydrophobicContact CB-CG 4.07Å; F64-M214 HydrophobicContact CB-SD 3.98Å; F64-M214 HydrophobicContact CD2-CB 4.02Å; F64-M214 HydrophobicContact CD2-CG 4.07Å; F64-M214 HydrophobicContact CG-CB 4.25Å; F64-M214 HydrophobicContact CG-CG 4.12Å; F64-M214 HydrophobicContact CG-SD 4.36Å; K67-M214 HydrophobicContact CB-SD 4.13Å; I68-M214 HydrophobicContact CD1-CB 3.94Å; I68-M214 HydrophobicContact CG1-CB 3.84Å; I68-M214 HydrophobicContact CG1-SD 4.12Å; I71-M214 HydrophobicContact CD1-CE 4.05Å; I71-M214 HydrophobicContact CD1-SD 3.88Å; M204-M214 HydrophobicContact CE-CE 3.85Å; M204-M214 HydrophobicContact SD-CE 3.87Å; P211-M214 WeakPolarHBondContact O-CB 3.46Å; P211-M214 WeakPolarHBondContact O-CG 3.3Å; P211-M214 PolarHBondContact O-N 3.47Å; P211-M214 VanDerWaalsContact O-N 3.14Å; D212-M214 PolarHBondContact O-N 3.32Å; M214-C1386 HydrophobicContact CE-CB 4.32Å
215I94.5Very high93.2Very high3 Ų346.4 Ų46.42%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-115.5121.6178.2-59.9169.5000108.6P58 F60 I68 A184 V187 L188 F191 D212 W213 Q217P58-I215 HydrophobicContact CB-CG2 3.73Å; F60-I215 HydrophobicContact CD1-CG1 4.19Å; F60-I215 HydrophobicContact CE1-CD1 4.37Å; I68-I215 HydrophobicContact CD1-CG1 4.43Å; A184-I215 HydrophobicContact CB-CG2 4.16Å; V187-I215 HydrophobicContact CB-CD1 3.88Å; V187-I215 HydrophobicContact CG1-CD1 3.74Å; L188-I215 HydrophobicContact CB-CD1 3.88Å; L188-I215 HydrophobicContact CB-CG2 4.39Å; L188-I215 HydrophobicContact CD1-CB 4.31Å; F191-I215 HydrophobicContact CD2-CD1 4.26Å; D212-I215 PolarHBondContact O-N 3.06Å; W213-I215 PolarHBondContact O-N 3.02Å; I215-Q217 PolarHBondContact O-N 3.23Å
216L94.4Very high93.2Very high27 Ų2747.6 Ų47.614%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-78.2114.3-176.5-61.3176.6000110.3L55 P58 V59 H61 L219 V280L55-L216 HydrophobicContact CD1-CB 3.87Å; P58-L216 CarbonylContact C-O 3.59Å; P58-L216 VanDerWaalsContact CA-O 3.31Å; P58-L216 WeakPolarHBondContact CA-O 3.48Å; V59-L216 PolarHBondContact N-O 2.88Å; V59-L216 PolarHBondContact O-N 2.59Å; H61-L216 HydrophobicContact CB-CD1 4.49Å; H61-L216 HydrophobicContact CB-CG 4.2Å; L216-L219 HydrophobicContact CD1-CD1 4.04Å; L216-V280 HydrophobicContact CD1-CG1 3.75Å
217Q94.5Very high93.2Very high81 Ų8146.3 Ų46.338%0.37923%0.228SC..EExtended strand (participates in β ladder)trans-93.1-28.9162-69.6157.8105.500110.7L55 P58 L188 I215L55-Q217 PolarHBondContact N-O 2.64Å; P58-Q217 HydrophobicContact CB-CG 4.42Å; P58-Q217 HydrophobicContact CG-CG 4.24Å; L188-Q217 HydrophobicContact CD2-CG 3.89Å; I215-Q217 PolarHBondContact O-N 3.23Å
218V94.8Very high93Very high69 Ų6941.5 Ų41.542%0.41822%0.219SC..EExtended strand (participates in β ladder)trans-131.3132.1178.4177.60000108.7H52H52-V218 HydrophobicContact CB-CG1 3.78Å
219L94.3Very high92.7Very high12 Ų1235.2 Ų35.26%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-99.7116.7175.8-177.370.9000109.9H52 L53 L55 L216 V221 I249 V280 L283H52-L219 WeakPolarHBondContact CA-O 3.45Å; L53-L219 HydrophobicContact CB-CB 4.44Å; L53-L219 HydrophobicContact CD2-CD2 4.48Å; L53-L219 PolarHBondContact N-O 3.25Å; L53-L219 PolarHBondContact O-N 3.48Å; L55-L219 HydrophobicContact CD1-CB 4.35Å; L55-L219 HydrophobicContact CD2-CB 4.22Å; L55-L219 HydrophobicContact CG-CB 4.35Å; L216-L219 HydrophobicContact CD1-CD1 4.04Å; L219-V221 PolarHBondContact O-N 3.25Å; L219-I249 HydrophobicContact CD2-CD1 3.95Å; L219-I249 HydrophobicContact CD2-CG2 3.99Å; L219-V280 HydrophobicContact CD1-CG1 4.49Å; L219-L283 HydrophobicContact CD2-CD2 4.38Å
220P94.4Very high92.3Very high80 Ų8039 Ų3952%0.51922%0.219SC..EExtended strand (participates in β ladder)trans-68.7126.2173.427.3-33.3000110.5F50F50-P220 HydrophobicContact CD1-CB 4.39Å
221V94.6Very high91.5Very high1 Ų140.6 Ų40.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-92117.7178.1175.70000108.5V6 F50 A51 L53 L219 I246V6-V221 HydrophobicContact CB-CG2 4.4Å; V6-V221 HydrophobicContact CG2-CB 4.29Å; V6-V221 HydrophobicContact CG2-CG1 4.24Å; V6-V221 HydrophobicContact CG2-CG2 4.05Å; F50-V221 WeakPolarHBondContact CD1-O 3.32Å; A51-V221 HydrophobicContact CB-CB 4.13Å; A51-V221 PolarHBondContact N-O 3.48Å; A51-V221 PolarHBondContact O-N 3.38Å; L53-V221 HydrophobicContact CB-CG2 4.17Å; L219-V221 PolarHBondContact O-N 3.25Å; V221-I246 HydrophobicContact CG1-CD1 4.48Å; V221-I246 HydrophobicContact CG1-CG2 4.46Å; V221-I246 HydrophobicContact CG2-CG2 4.41Å
222P93.6Very high90.6Very high17 Ų1743.3 Ų43.311%0.1125%0.252CS..PPolyproline II helixtrans-67.4147.9-177.226.3-33.6000112F50 V226 R227 I246F50-P222 HydrophobicContact CE1-CB 4.16Å; P222-V226 HydrophobicContact CB-CB 4.14Å; P222-V226 HydrophobicContact CB-CG1 4.03Å; P222-R227 PolarHBondContact O-NE 3.32Å; P222-I246 HydrophobicContact CG-CD1 4.1Å
223P93.1Very high89.4Confident4 Ų453.4 Ų53.43%0.02630%0.295CS..PPolyproline II helixtrans-70.3167.2-175.929.1-36.5000113.4Q27 F50 A225 V226Q27-P223 WeakPolarHBondContact O-CB 3.41Å; F50-P223 HydrophobicContact CD2-CG 4.45Å; F50-P223 HydrophobicContact CE2-CG 4.37Å; P223-A225 PolarHBondContact O-N 2.94Å; P223-A225 VanDerWaalsContact O-N 3.13Å; P223-V226 HydrophobicContact CG-CG2 4.04Å; P223-V226 PolarHBondContact O-N 3.5Å
224L91.4Very high88.1Confident6 Ų650.3 Ų50.33%0.03131%0.305CS..G310 helixtrans-58.7-31.5-175.4-53.1-168.2000113.2M23 Q27 I30 V226 R227 P228M23-L224 HydrophobicContact CE-CD2 4.43Å; M23-L224 HydrophobicContact SD-CD1 3.78Å; M23-L224 HydrophobicContact SD-CD2 3.59Å; M23-L224 VanDerWaalsContact SD-CD2 3.59Å; M23-L224 HydrophobicContact SD-CG 4.25Å; Q27-L224 HydrophobicContact CB-CD2 4.28Å; Q27-L224 HydrophobicContact CB-CG 4.16Å; I30-L224 HydrophobicContact CB-CD1 4.42Å; L224-V226 PolarHBondContact O-N 3.02Å; L224-R227 CarbonylContact O-C 2.89Å; L224-R227 VanDerWaalsContact O-C 3.25Å; L224-R227 PolarHBondContact O-N 3.4Å; L224-R227 VanDerWaalsContact O-N 3.16Å; L224-P228 WeakPolarHBondContact O-CA 3.4Å; L224-P228 VanDerWaalsContact O-N 3.14Å
225A90.5Very high86.8Confident65 Ų6555.2 Ų55.254%0.53734%0.34SS..G310 helixtrans-59.8-26.8175.200000114P223P223-A225 PolarHBondContact O-N 2.94Å; P223-A225 VanDerWaalsContact O-N 3.13Å
226V91.8Very high85.7Confident66 Ų6657.7 Ų57.740%0.436%0.361SS..G310 helixtrans-88.4-23.2178.9176.30000112.2P222 P223 L224 P228 L242P222-V226 HydrophobicContact CB-CB 4.14Å; P222-V226 HydrophobicContact CB-CG1 4.03Å; P223-V226 HydrophobicContact CG-CG2 4.04Å; P223-V226 PolarHBondContact O-N 3.5Å; L224-V226 PolarHBondContact O-N 3.02Å; V226-P228 VanDerWaalsContact C-CD 3.49Å; V226-L242 HydrophobicContact CG1-CD1 4.39Å
227R92.1Very high84.7Confident0 Ų061.2 Ų61.20%037%0.372CS..SBendtrans-133.255.7-175.657.7-177.5-17782.74.2112.5L22 P222 L224 D240 L242 T243L22-R227 VanDerWaalsContact O-CZ 3.28Å; L22-R227 PolarHBondContact O-NH1 3.02Å; L22-R227 PolarHBondContact O-NH2 3.34Å; P222-R227 PolarHBondContact O-NE 3.32Å; L224-R227 CarbonylContact O-C 2.89Å; L224-R227 VanDerWaalsContact O-C 3.25Å; L224-R227 PolarHBondContact O-N 3.4Å; L224-R227 VanDerWaalsContact O-N 3.16Å; R227-D240 HydrophobicContact CB-CB 4Å; R227-D240 WeakPolarHBondContact CB-OD2 3.37Å; R227-L242 HydrophobicContact CB-CB 4.23Å; R227-T243 WeakPolarHBondContact CD-OG1 3.41Å; R227-T243 PolarHBondContact NH1-OG1 3.08Å
228P88Confident84.2Confident72 Ų7261.2 Ų61.247%0.46838%0.375SS..PPolyproline II helixtrans-65.9140-172.928.5-36.5000112.1L224 V226L224-P228 WeakPolarHBondContact O-CA 3.4Å; L224-P228 VanDerWaalsContact O-N 3.14Å; V226-P228 VanDerWaalsContact C-CD 3.49Å
229A85.9Confident83.8Confident14 Ų1459 Ų5912%0.11636%0.36CS..PPolyproline II helixtrans-86.1136.2169.700000110.8M23 I30 N238M23-A229 HydrophobicContact CE-CB 3.89Å; I30-A229 HydrophobicContact CD1-CB 3.73Å; A229-N238 CarbonylContact C-O 3.58Å; A229-N238 VanDerWaalsContact CA-O 3.28Å; A229-N238 WeakPolarHBondContact CA-O 3.38Å; A229-N238 WeakPolarHBondContact CB-O 3.41Å
230V82.7Confident83.7Confident88 Ų8859.8 Ų59.853%0.53336%0.364SS..EExtended strand (participates in β ladder)trans-91.6118.1176.5-178.40000108.8T232 N238V230-T232 PolarHBondContact O-N 3.46Å; V230-N238 PolarHBondContact N-O 2.99Å; V230-N238 PolarHBondContact O-N 3Å
231V77.6Confident83.6Confident90 Ų9056.5 Ų56.555%0.54534%0.342SS..EExtended strand (participates in β ladder)trans-79.8110.3171.5-170.80000108.4R237V231-R237 HydrophobicContact CG2-CG 4.39Å
232T73.6Confident83.6Confident58 Ų5856.6 Ų56.636%0.35634%0.343SS..  trans-79.9153.5167.329.80000110.4V230 G234 A236 N238V230-T232 PolarHBondContact O-N 3.46Å; T232-G234 PolarHBondContact O-N 3.12Å; T232-A236 PolarHBondContact N-O 2.67Å; T232-A236 PolarHBondContact OG1-O 3.31Å; T232-N238 PolarHBondContact OG1-ND2 3.35Å; T232-N238 VanDerWaalsContact OG1-ND2 3.14Å
233F68.2Low83.6Confident227 Ų22755.8 Ų55.8100%0.99634%0.338SS*.SBendtrans-52.7133.8174.4-124.9-95.5000109.9
234G65.9Low83.6Confident68 Ų6859.4 Ų59.470%0.70135%0.352SS*.SBendtrans88.137.9-174.100000115.3T232 A236T232-G234 PolarHBondContact O-N 3.12Å; G234-A236 PolarHBondContact O-N 3.12Å
235S67.1Low83.7Confident112 Ų11259.5 Ų59.578%0.78335%0.352SS*.SBendtrans63.8-12.1170.4-59.20000118.1R237S235-R237 PolarHBondContact O-N 2.8Å
236A71.3Confident83.9Confident55 Ų5556.4 Ų56.446%0.45533%0.326SS..  trans-64.6124.5176.400000111.5T232 G234T232-A236 PolarHBondContact N-O 2.67Å; T232-A236 PolarHBondContact OG1-O 3.31Å; G234-A236 PolarHBondContact O-N 3.12Å
237R73.8Confident84.1Confident100 Ų10053.8 Ų53.838%0.37731%0.311SS..EExtended strand (participates in β ladder)trans-104.999.1179.8-62.8-173.7178.6166.70111V231 S235 Q239V231-R237 HydrophobicContact CG2-CG 4.39Å; S235-R237 PolarHBondContact O-N 2.8Å; R237-Q239 PolarHBondContact O-NE2 3.48Å
238N83Confident84.2Confident82 Ų8256.1 Ų56.144%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-74.7127.8174.1-70.4-56.4000109.9A229 V230 T232A229-N238 CarbonylContact C-O 3.58Å; A229-N238 VanDerWaalsContact CA-O 3.28Å; A229-N238 WeakPolarHBondContact CA-O 3.38Å; A229-N238 WeakPolarHBondContact CB-O 3.41Å; V230-N238 PolarHBondContact N-O 2.99Å; V230-N238 PolarHBondContact O-N 3Å; T232-N238 PolarHBondContact OG1-ND2 3.35Å; T232-N238 VanDerWaalsContact OG1-ND2 3.14Å
239Q87.8Confident84.6Confident23 Ų2352.7 Ų52.711%0.10730%0.302CS..PPolyproline II helixtrans-89.8157.3-175.3-53.2-60.2-48.100111.6I11 R237 T243 Y244I11-Q239 HydrophobicContact CD1-CG 3.67Å; R237-Q239 PolarHBondContact O-NE2 3.48Å; Q239-T243 HydrophobicContact CB-CG2 4.15Å; Q239-T243 HydrophobicContact CG-CG2 4.42Å; Q239-Y244 HydrophobicContact CB-CD2 4.15Å; Q239-Y244 HydrophobicContact CB-CE1 4.26Å; Q239-Y244 HydrophobicContact CB-CE2 3.66Å; Q239-Y244 HydrophobicContact CG-CE1 4.47Å; Q239-Y244 WeakPolarHBondContact O-CE2 3.49Å
240D91.5Very high85.1Confident27 Ų2752 Ų5214%0.14430%0.296CS..PPolyproline II helixtrans-68.9151.2170.9-178.851.4000112.2R227 L242 T243 Y244 R308R227-D240 HydrophobicContact CB-CB 4Å; R227-D240 WeakPolarHBondContact CB-OD2 3.37Å; D240-L242 PolarHBondContact O-N 3.46Å; D240-L242 VanDerWaalsContact O-N 3.13Å; D240-L242 WeakPolarHBondContact OD2-CB 3.47Å; D240-L242 WeakPolarHBondContact OD2-CG 3.39Å; D240-L242 PolarHBondContact OD2-N 2.93Å; D240-T243 WeakPolarHBondContact O-CB 3.48Å; D240-T243 PolarHBondContact O-N 2.94Å; D240-Y244 WeakPolarHBondContact O-CD2 3.31Å; D240-Y244 PolarHBondContact O-N 2.67Å; D240-R308 VanDerWaalsContact CG-NH2 3.28Å; D240-R308 IonicContact OD1-CZ 4Å; D240-R308 IonicContact OD1-NH1 2.75Å; D240-R308 PolarHBondContact OD1-NH1 3.38Å; D240-R308 IonicContact OD1-NH2 2.68Å; D240-R308 PolarHBondContact OD1-NH2 3.29Å; D240-R308 IonicContact OD2-CZ 2.7Å; D240-R308 VanDerWaalsContact OD2-CZ 3.3Å; D240-R308 IonicContact OD2-NH1 3.49Å; D240-R308 PolarHBondContact OD2-NH1 2.73Å; D240-R308 IonicContact OD2-NH2 3.13Å; D240-R308 PolarHBondContact OD2-NH2 3Å
241D92.6Very high85.7Confident11 Ų1152.8 Ų52.86%0.05929%0.292CS..Hα-helixtrans-52.6-35.8178-75.5-18.4000112.5K245 R300 L302 K303D241-K245 PolarHBondContact O-N 2.86Å; D241-K245 VanDerWaalsContact O-N 3.11Å; D241-R300 VanDerWaalsContact CG-NH2 3.31Å; D241-R300 IonicContact OD1-CZ 2.8Å; D241-R300 IonicContact OD1-NH2 3.22Å; D241-R300 PolarHBondContact OD1-NH2 3.34Å; D241-R300 IonicContact OD2-NH2 3.49Å; D241-R300 PolarHBondContact OD2-NH2 3.26Å; D241-L302 HydrophobicContact CB-CB 4.22Å; D241-L302 HydrophobicContact CB-CD2 4.01Å; D241-L302 WeakPolarHBondContact OD1-CD2 3.42Å; D241-K303 WeakPolarHBondContact OD2-CB 3.22Å; D241-K303 PolarHBondContact OD2-N 3.04Å
242L93.9Very high86.6Confident3 Ų348.8 Ų48.82%0.01627%0.268CS..Hα-helixtrans-69.4-40177.5-60.3174.6000111.7V226 R227 D240 Y244 K245 I246 L283 L305V226-L242 HydrophobicContact CG1-CD1 4.39Å; R227-L242 HydrophobicContact CB-CB 4.23Å; D240-L242 PolarHBondContact O-N 3.46Å; D240-L242 VanDerWaalsContact O-N 3.13Å; D240-L242 WeakPolarHBondContact OD2-CB 3.47Å; D240-L242 WeakPolarHBondContact OD2-CG 3.39Å; D240-L242 PolarHBondContact OD2-N 2.93Å; L242-Y244 VanDerWaalsContact C-N 3.33Å; L242-Y244 PolarHBondContact O-N 3.17Å; L242-K245 PolarHBondContact O-N 3.38Å; L242-I246 HydrophobicContact CB-CD1 4.41Å; L242-I246 WeakPolarHBondContact O-CB 3.35Å; L242-I246 WeakPolarHBondContact O-CD1 3.34Å; L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 2.86Å; L242-L283 HydrophobicContact CD2-CD1 3.75Å; L242-L305 HydrophobicContact CD1-CD2 3.72Å; L242-L305 HydrophobicContact CD2-CD2 3.98Å; L242-L305 HydrophobicContact CD2-CG 4.15Å
243T93.3Very high87.6Confident1 Ų146.2 Ų46.21%0.00625%0.253CS..Hα-helixtrans-62-41.5178.3-64.20000110.8I11 L22 R227 Q239 D240 A247I11-T243 HydrophobicContact CD1-CG2 4.32Å; L22-T243 HydrophobicContact CB-CG2 4.37Å; L22-T243 HydrophobicContact CD1-CG2 4.35Å; R227-T243 WeakPolarHBondContact CD-OG1 3.41Å; R227-T243 PolarHBondContact NH1-OG1 3.08Å; Q239-T243 HydrophobicContact CB-CG2 4.15Å; Q239-T243 HydrophobicContact CG-CG2 4.42Å; D240-T243 WeakPolarHBondContact O-CB 3.48Å; D240-T243 PolarHBondContact O-N 2.94Å; T243-A247 WeakPolarHBondContact O-CB 3.43Å; T243-A247 PolarHBondContact O-N 2.88Å
244Y92.7Very high88.9Confident80 Ų8037.6 Ų37.631%0.31422%0.217SC..Hα-helixtrans-61.4-48.2172.1-71.3-65.2000112.1Q239 D240 L242 I246 A247 D248Q239-Y244 HydrophobicContact CB-CD2 4.15Å; Q239-Y244 HydrophobicContact CB-CE1 4.26Å; Q239-Y244 HydrophobicContact CB-CE2 3.66Å; Q239-Y244 HydrophobicContact CG-CE1 4.47Å; Q239-Y244 WeakPolarHBondContact O-CE2 3.49Å; D240-Y244 WeakPolarHBondContact O-CD2 3.31Å; D240-Y244 PolarHBondContact O-N 2.67Å; L242-Y244 VanDerWaalsContact C-N 3.33Å; L242-Y244 PolarHBondContact O-N 3.17Å; Y244-I246 PolarHBondContact O-N 3.05Å; Y244-A247 WeakPolarHBondContact O-CB 3.46Å; Y244-A247 PolarHBondContact O-N 3.13Å; Y244-D248 PolarHBondContact O-N 2.85Å
245K94.6Very high90.3Very high7 Ų737.9 Ų37.93%0.0320%0.2CC..Hα-helixtrans-65.2-37.3-177.9-167.871.9-153.3-177.10112.7D241 L242 D248 I249 H279 T282 L283 A294 L302D241-K245 PolarHBondContact O-N 2.86Å; D241-K245 VanDerWaalsContact O-N 3.11Å; L242-K245 PolarHBondContact O-N 3.38Å; K245-D248 PolarHBondContact O-N 3.36Å; K245-I249 WeakPolarHBondContact O-CG1 3.48Å; K245-I249 PolarHBondContact O-N 3.12Å; K245-I249 VanDerWaalsContact O-N 3.11Å; K245-H279 WeakPolarHBondContact CE-ND1 3.22Å; K245-H279 WeakPolarHBondContact CE-O 3.24Å; K245-H279 PolarHBondContact NZ-ND1 2.8Å; K245-T282 WeakPolarHBondContact CE-OG1 3.38Å; K245-T282 PolarHBondContact NZ-OG1 3.28Å; K245-L283 HydrophobicContact CB-CD1 3.94Å; K245-L283 HydrophobicContact CG-CB 4.02Å; K245-L283 HydrophobicContact CG-CD1 3.93Å; K245-A294 HydrophobicContact CD-CB 4.22Å; K245-L302 HydrophobicContact CB-CD1 4.31Å; K245-L302 HydrophobicContact CD-CD1 4.01Å
246I95.3Very high91.6Very high1 Ų132.6 Ų32.61%0.00516%0.163CC..Hα-helixtrans-67.2-38.9174.7-61.4158.5000110.5L22 V221 P222 L242 Y244 D248 I249 V250 L283L22-I246 HydrophobicContact CD2-CB 4.33Å; L22-I246 HydrophobicContact CD2-CG2 3.6Å; V221-I246 HydrophobicContact CG1-CD1 4.48Å; V221-I246 HydrophobicContact CG1-CG2 4.46Å; V221-I246 HydrophobicContact CG2-CG2 4.41Å; P222-I246 HydrophobicContact CG-CD1 4.1Å; L242-I246 HydrophobicContact CB-CD1 4.41Å; L242-I246 WeakPolarHBondContact O-CB 3.35Å; L242-I246 WeakPolarHBondContact O-CD1 3.34Å; L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 2.86Å; Y244-I246 PolarHBondContact O-N 3.05Å; I246-D248 PolarHBondContact O-N 2.75Å; I246-I249 PolarHBondContact O-N 2.84Å; I246-I249 VanDerWaalsContact O-N 3.12Å; I246-V250 HydrophobicContact CG2-CG2 4.38Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 3.39Å; I246-L283 HydrophobicContact CG1-CD1 4.01Å; I246-L283 HydrophobicContact CG1-CD2 4.27Å
247A94.5Very high92.7Very high11 Ų1134.1 Ų34.19%0.09116%0.159CC..Hα-helixtrans-57.9-37.5173.900000112.5P9 L22 T243 Y244 K251P9-A247 HydrophobicContact CB-CB 4.2Å; L22-A247 HydrophobicContact CD1-CB 3.49Å; L22-A247 VanDerWaalsContact CD1-CB 3.49Å; T243-A247 WeakPolarHBondContact O-CB 3.43Å; T243-A247 PolarHBondContact O-N 2.88Å; Y244-A247 WeakPolarHBondContact O-CB 3.46Å; Y244-A247 PolarHBondContact O-N 3.13Å; A247-K251 VanDerWaalsContact O-CG 3.27Å; A247-K251 WeakPolarHBondContact O-CG 3.48Å; A247-K251 PolarHBondContact O-N 2.79Å
248D94.9Very high93.6Very high49 Ų4936 Ų3626%0.26217%0.167SC..Hα-helixtrans-74.2-33.2176.2-59-27.8000112.9Y244 K245 I246 K251 A252 H279Y244-D248 PolarHBondContact O-N 2.85Å; K245-D248 PolarHBondContact O-N 3.36Å; I246-D248 PolarHBondContact O-N 2.75Å; D248-K251 PolarHBondContact O-N 3.22Å; D248-K251 IonicContact OD1-NZ 2.75Å; D248-K251 PolarHBondContact OD1-NZ 2.93Å; D248-A252 WeakPolarHBondContact O-CB 3.44Å; D248-A252 PolarHBondContact O-N 3.21Å; D248-H279 VanDerWaalsContact CB-CE1 3.43Å; D248-H279 WeakPolarHBondContact CB-CE1 3.41Å; D248-H279 WeakPolarHBondContact CB-ND1 3.28Å; D248-H279 IonicContact OD2-CE1 3.56Å
249I96.3Very high94.1Very high0 Ų034 Ų340%016%0.156CC..Hα-helixtrans-62.3-46.5171.2-65166.8000110.1L53 L219 K245 I246 K251 A252 N253 L276 H279 V280 L283L53-I249 HydrophobicContact CD2-CG2 3.62Å; L219-I249 HydrophobicContact CD2-CD1 3.95Å; L219-I249 HydrophobicContact CD2-CG2 3.99Å; K245-I249 WeakPolarHBondContact O-CG1 3.48Å; K245-I249 PolarHBondContact O-N 3.12Å; K245-I249 VanDerWaalsContact O-N 3.11Å; I246-I249 PolarHBondContact O-N 2.84Å; I246-I249 VanDerWaalsContact O-N 3.12Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 2.92Å; I249-A252 PolarHBondContact O-N 2.74Å; I249-N253 VanDerWaalsContact O-CB 3.24Å; I249-N253 WeakPolarHBondContact O-CB 3.41Å; I249-N253 PolarHBondContact O-N 3.36Å; I249-L276 HydrophobicContact CG2-CD1 3.88Å; I249-H279 HydrophobicContact CG1-CB 3.71Å; I249-V280 HydrophobicContact CD1-CG2 4.19Å; I249-V280 HydrophobicContact CG1-CG2 4.3Å; I249-V280 HydrophobicContact CG2-CG2 3.97Å; I249-L283 HydrophobicContact CD1-CB 4.08Å; I249-L283 HydrophobicContact CD1-CD2 3.75Å; I249-L283 HydrophobicContact CD1-CG 4.41Å
250V95.9Very high94.3Very high0 Ų036.1 Ų36.10%017%0.165CC..Hα-helixtrans-61-42.1177.7176.20000110.9V6 E7 P9 L53 I246 N253 N254V6-V250 HydrophobicContact CG1-CG2 4.01Å; E7-V250 VanDerWaalsContact O-CG1 3.29Å; E7-V250 WeakPolarHBondContact O-CG1 3.35Å; P9-V250 HydrophobicContact CB-CB 4.21Å; P9-V250 HydrophobicContact CB-CG1 4.12Å; P9-V250 HydrophobicContact CG-CG1 4.31Å; L53-V250 HydrophobicContact CD1-CG2 4.24Å; L53-V250 HydrophobicContact CD2-CG2 3.94Å; I246-V250 HydrophobicContact CG2-CG2 4.38Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 3.39Å; V250-N253 PolarHBondContact O-N 3.01Å; V250-N254 VanDerWaalsContact O-CB 3.3Å; V250-N254 WeakPolarHBondContact O-CB 3.15Å; V250-N254 PolarHBondContact O-N 3.44Å; V250-N254 PolarHBondContact O-OD1 2.96Å
251K96Very high94.3Very high103 Ų10341.6 Ų41.645%0.44819%0.19SC..Hα-helixtrans-60.5-50.2174-70.3167.7-153.3157.50112.4P9 A247 D248 I249 N253 N254 Q255P9-K251 HydrophobicContact CB-CG 4.01Å; P9-K251 HydrophobicContact CG-CG 3.94Å; A247-K251 VanDerWaalsContact O-CG 3.27Å; A247-K251 WeakPolarHBondContact O-CG 3.48Å; A247-K251 PolarHBondContact O-N 2.79Å; D248-K251 PolarHBondContact O-N 3.22Å; D248-K251 IonicContact OD1-NZ 2.75Å; D248-K251 PolarHBondContact OD1-NZ 2.93Å; I249-K251 VanDerWaalsContact C-N 3.34Å; I249-K251 PolarHBondContact O-N 2.92Å; K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 PolarHBondContact O-N 2.88Å; K251-N254 PolarHBondContact O-N 3.48Å; K251-Q255 VanDerWaalsContact O-CB 3.32Å; K251-Q255 WeakPolarHBondContact O-CB 3.14Å; K251-Q255 PolarHBondContact O-N 3.26Å
252A95.7Very high94.4Very high6 Ų647.2 Ų47.25%0.0522%0.22CC..Hα-helixtrans-62.3-40.6-18000000111.6D248 I249 Q255 L256 L275 L276D248-A252 WeakPolarHBondContact O-CB 3.44Å; D248-A252 PolarHBondContact O-N 3.21Å; I249-A252 PolarHBondContact O-N 2.74Å; A252-Q255 PolarHBondContact O-N 2.85Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 2.95Å; A252-L275 HydrophobicContact CB-CD2 4.49Å; A252-L275 HydrophobicContact CB-CG 4.43Å; A252-L276 HydrophobicContact CB-CB 4.49Å; A252-L276 HydrophobicContact CB-CD1 4.2Å
253N96.1Very high94.2Very high5 Ų550.1 Ų50.13%0.02725%0.251CS..Hα-helixtrans-64.9-43.9176.5-165.562.9000112.2E54 L55 C56 I249 V250 K251 Q255 L256 K257 L276E54-N253 PolarHBondContact O-ND2 2.91Å; L55-N253 WeakPolarHBondContact CA-OD1 3.39Å; C56-N253 PolarHBondContact N-OD1 2.98Å; I249-N253 VanDerWaalsContact O-CB 3.24Å; I249-N253 WeakPolarHBondContact O-CB 3.41Å; I249-N253 PolarHBondContact O-N 3.36Å; V250-N253 PolarHBondContact O-N 3.01Å; K251-N253 VanDerWaalsContact C-N 3.32Å; K251-N253 PolarHBondContact O-N 2.88Å; N253-Q255 VanDerWaalsContact C-N 3.32Å; N253-L256 PolarHBondContact O-N 2.92Å; N253-K257 VanDerWaalsContact O-CB 3.28Å; N253-K257 WeakPolarHBondContact O-CB 3.39Å; N253-K257 PolarHBondContact O-N 3.14Å; N253-L276 HydrophobicContact CB-CD1 4.05Å
254N94.9Very high94.1Very high45 Ų4551.5 Ų51.524%0.24126%0.263CS..Hα-helixtrans-75.1-20.1177.5-66-1.5000112.8E7 V250 K251 R258E7-N254 PolarHBondContact O-ND2 2.77Å; V250-N254 VanDerWaalsContact O-CB 3.3Å; V250-N254 WeakPolarHBondContact O-CB 3.15Å; V250-N254 PolarHBondContact O-N 3.44Å; V250-N254 PolarHBondContact O-OD1 2.96Å; K251-N254 PolarHBondContact O-N 3.48Å; N254-R258 VanDerWaalsContact O-CG 3.32Å; N254-R258 WeakPolarHBondContact O-CG 3.29Å; N254-R258 PolarHBondContact O-N 3.27Å; N254-R258 PolarHBondContact O-NE 2.96Å
255Q94.5Very high93.9Very high75 Ų7550.1 Ų50.135%0.3527%0.268SS..Hα-helixtrans-72.1-55.9168177.3169.3-45.400110K251 A252 N253 K257 R258 N259 D272K251-Q255 VanDerWaalsContact O-CB 3.32Å; K251-Q255 WeakPolarHBondContact O-CB 3.14Å; K251-Q255 PolarHBondContact O-N 3.26Å; A252-Q255 PolarHBondContact O-N 2.85Å; N253-Q255 VanDerWaalsContact C-N 3.32Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 3.39Å; Q255-R258 PolarHBondContact O-N 3.41Å; Q255-R258 VanDerWaalsContact O-N 3.16Å; Q255-N259 WeakPolarHBondContact O-CB 3.46Å; Q255-N259 PolarHBondContact O-N 2.76Å; Q255-D272 PolarHBondContact NE2-OD1 2.82Å
256L94.5Very high93.6Very high1 Ų153.6 Ų53.61%0.00530%0.298CS..Hα-helixtrans-52.1-48.7175.4178.555.3000111.8C56 K57 A252 N253 R258 N259 E260 L269 D272 V273 L276C56-L256 HydrophobicContact CB-CD2 4.08Å; C56-L256 HydrophobicContact CB-CG 4.08Å; K57-L256 HydrophobicContact CB-CD2 4.1Å; K57-L256 HydrophobicContact CG-CD2 3.85Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 2.95Å; N253-L256 PolarHBondContact O-N 2.92Å; L256-R258 PolarHBondContact O-N 3.22Å; L256-N259 PolarHBondContact O-N 2.75Å; L256-E260 WeakPolarHBondContact O-CB 3.39Å; L256-E260 PolarHBondContact O-N 2.94Å; L256-L269 HydrophobicContact CD1-CD2 4.17Å; L256-D272 HydrophobicContact CB-CB 4.02Å; L256-D272 HydrophobicContact CD1-CB 3.74Å; L256-D272 HydrophobicContact CG-CB 4.37Å; L256-V273 HydrophobicContact CD1-CG2 3.96Å; L256-V273 HydrophobicContact CD2-CG2 3.71Å; L256-L276 HydrophobicContact CD2-CD2 3.89Å
257K94Very high93.4Very high86 Ų8659.5 Ų59.537%0.37433%0.325SS..Hα-helixtrans-60.1-41.5179.9-170.6170.2-176.9174.60113.2C56 N253 Q255 Q261C56-K257 HydrophobicContact CB-CB 4.18Å; C56-K257 WeakPolarHBondContact SG-CA 3.27Å; N253-K257 VanDerWaalsContact O-CB 3.28Å; N253-K257 WeakPolarHBondContact O-CB 3.39Å; N253-K257 PolarHBondContact O-N 3.14Å; Q255-K257 VanDerWaalsContact C-N 3.32Å; Q255-K257 PolarHBondContact O-N 3.39Å; K257-Q261 VanDerWaalsContact O-CB 3.3Å; K257-Q261 WeakPolarHBondContact O-CB 3.46Å; K257-Q261 WeakPolarHBondContact O-CG 3.26Å; K257-Q261 PolarHBondContact O-N 3.42Å; K257-Q261 PolarHBondContact O-OE1 3.31Å
258R94Very high93.2Very high141 Ų14161.2 Ų61.253%0.53233%0.334SS..Hα-helixtrans-70.9-40.3175.3-74.3178.2-63.3146.46.8111.9N254 Q255 L256 Q261 N262N254-R258 VanDerWaalsContact O-CG 3.32Å; N254-R258 WeakPolarHBondContact O-CG 3.29Å; N254-R258 PolarHBondContact O-N 3.27Å; N254-R258 PolarHBondContact O-NE 2.96Å; Q255-R258 PolarHBondContact O-N 3.41Å; Q255-R258 VanDerWaalsContact O-N 3.16Å; L256-R258 PolarHBondContact O-N 3.22Å; R258-Q261 PolarHBondContact O-N 3.2Å; R258-N262 VanDerWaalsContact O-CB 3.22Å; R258-N262 WeakPolarHBondContact O-CB 3.34Å; R258-N262 PolarHBondContact O-N 2.92Å; R258-N262 PolarHBondContact O-ND2 2.87Å
259N94Very high93.1Very high39 Ų3960.6 Ų60.621%0.20933%0.331CS..Hα-helixtrans-67.9-38.7-180-72.4-10.1000111.5Q255 L256 N262 G263 A264 L269 D272Q255-N259 WeakPolarHBondContact O-CB 3.46Å; Q255-N259 PolarHBondContact O-N 2.76Å; L256-N259 PolarHBondContact O-N 2.75Å; N259-N262 PolarHBondContact O-N 2.86Å; N259-G263 PolarHBondContact O-N 3.36Å; N259-A264 HydrophobicContact CB-CB 3.91Å; N259-A264 WeakPolarHBondContact O-CB 3.27Å; N259-A264 PolarHBondContact O-N 3.43Å; N259-L269 HydrophobicContact CB-CD2 3.89Å; N259-D272 PolarHBondContact ND2-OD2 2.83Å
260E91.4Very high92.8Very high67 Ų6762.7 Ų62.731%0.31335%0.348SS..Hα-helixtrans-66.6-44.9173.2-172.9164.8-157.300111.4C56 K57 L256 N262 G263 L269C56-E260 PolarHBondContact SG-OE2 2.67Å; C56-E260 VanDerWaalsContact SG-OE2 3.34Å; K57-E260 VanDerWaalsContact CE-CD 3.43Å; K57-E260 WeakPolarHBondContact CE-OE1 3.34Å; K57-E260 VanDerWaalsContact CE-OE2 3.23Å; K57-E260 WeakPolarHBondContact CE-OE2 3.49Å; K57-E260 IonicContact NZ-OE1 3.88Å; K57-E260 PolarHBondContact NZ-OE1 3.28Å; K57-E260 IonicContact NZ-OE2 2.73Å; L256-E260 WeakPolarHBondContact O-CB 3.39Å; L256-E260 PolarHBondContact O-N 2.94Å; E260-N262 VanDerWaalsContact C-N 3.3Å; E260-N262 PolarHBondContact O-N 2.67Å; E260-G263 PolarHBondContact O-N 2.8Å; E260-G263 VanDerWaalsContact O-N 3.13Å; E260-L269 HydrophobicContact CB-CD2 4.1Å
261Q92.1Very high92.6Very high143 Ų14368.5 Ų68.567%0.66838%0.375SS*.Hα-helixtrans-63.1-32.3174.5-75.4174.7-27.100113.7K257 R258 G263K257-Q261 VanDerWaalsContact O-CB 3.3Å; K257-Q261 WeakPolarHBondContact O-CB 3.46Å; K257-Q261 WeakPolarHBondContact O-CG 3.26Å; K257-Q261 PolarHBondContact O-N 3.42Å; K257-Q261 PolarHBondContact O-OE1 3.31Å; R258-Q261 PolarHBondContact O-N 3.2Å; Q261-G263 VanDerWaalsContact C-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.46Å
262N93.5Very high92.5Very high128 Ų12864 Ų6468%0.68436%0.356SS*.THydrogen-bonded Turntrans-82.3-0.4176.9-69-16.3000113.4R258 N259 E260R258-N262 VanDerWaalsContact O-CB 3.22Å; R258-N262 WeakPolarHBondContact O-CB 3.34Å; R258-N262 PolarHBondContact O-N 2.92Å; R258-N262 PolarHBondContact O-ND2 2.87Å; N259-N262 PolarHBondContact O-N 2.86Å; E260-N262 VanDerWaalsContact C-N 3.3Å; E260-N262 PolarHBondContact O-N 2.67Å
263G89.8Confident92.4Very high65 Ų6565.9 Ų65.967%0.6737%0.367SS*.THydrogen-bonded Turntrans68.433.6-178.100000114.2N259 E260 Q261N259-G263 PolarHBondContact O-N 3.36Å; E260-G263 PolarHBondContact O-N 2.8Å; E260-G263 VanDerWaalsContact O-N 3.13Å; Q261-G263 VanDerWaalsContact C-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.46Å
264A91Very high92.3Very high29 Ų2972 Ų7224%0.2439%0.39CS..  trans-60.8151.1179.300000112.5N259 L269N259-A264 HydrophobicContact CB-CB 3.91Å; N259-A264 WeakPolarHBondContact O-CB 3.27Å; N259-A264 PolarHBondContact O-N 3.43Å; A264-L269 HydrophobicContact CB-CD2 4.17Å
265A89.9Confident92.2Very high51 Ų5173 Ų7342%0.42140%0.395SS..  trans-59.2142-177.500000112.3H267 V268 L269A265-H267 PolarHBondContact O-N 2.87Å; A265-V268 HydrophobicContact CB-CG2 4.46Å; A265-V268 WeakPolarHBondContact O-CB 3.41Å; A265-V268 PolarHBondContact O-N 2.85Å; A265-L269 PolarHBondContact O-N 3.4Å
266A88.4Confident92.3Very high81 Ų8169.5 Ų69.567%0.66938%0.379SS*.Hα-helixtrans-56.3-27.4-171.200000114.9A270A266-A270 WeakPolarHBondContact O-CB 3.37Å; A266-A270 PolarHBondContact O-N 3.47Å
267H89.4Confident92.2Very high124 Ų12470.2 Ų70.257%0.57438%0.382SS*.Hα-helixtrans-68.4-38.8174.468.3-95.7000112.4A265 A270 E271A265-H267 PolarHBondContact O-N 2.87Å; H267-A270 PolarHBondContact O-N 3.43Å; H267-E271 WeakPolarHBondContact O-CG 3.27Å; H267-E271 PolarHBondContact O-N 3.16Å
268V91.9Very high92.3Very high47 Ų4768.4 Ų68.429%0.28537%0.373SS..Hα-helixtrans-64.8-44.5175.6-1740000109.9A265 A270 E271 D272A265-V268 HydrophobicContact CB-CG2 4.46Å; A265-V268 WeakPolarHBondContact O-CB 3.41Å; A265-V268 PolarHBondContact O-N 2.85Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 2.96Å; V268-E271 PolarHBondContact O-N 3.34Å; V268-D272 PolarHBondContact O-N 2.97Å
269L91.8Very high92.4Very high37 Ų3763.1 Ų63.119%0.19435%0.354CS..Hα-helixtrans-62.1-38.7175.9-59.1-179.6000111.7L256 N259 E260 A264 A265 D272 V273L256-L269 HydrophobicContact CD1-CD2 4.17Å; N259-L269 HydrophobicContact CB-CD2 3.89Å; E260-L269 HydrophobicContact CB-CD2 4.1Å; A264-L269 HydrophobicContact CB-CD2 4.17Å; A265-L269 PolarHBondContact O-N 3.4Å; L269-D272 PolarHBondContact O-N 3.2Å; L269-V273 WeakPolarHBondContact O-CB 3.45Å; L269-V273 VanDerWaalsContact O-CG2 3.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.31Å; L269-V273 PolarHBondContact O-N 3.17Å
270A90Very high92.4Very high44 Ų4461.2 Ų61.236%0.36434%0.344SS..Hα-helixtrans-66.1-37.2174.600000112.7A266 H267 V268 R274A266-A270 WeakPolarHBondContact O-CB 3.37Å; A266-A270 PolarHBondContact O-N 3.47Å; H267-A270 PolarHBondContact O-N 3.43Å; V268-A270 VanDerWaalsContact C-N 3.31Å; V268-A270 PolarHBondContact O-N 2.96Å; A270-R274 WeakPolarHBondContact O-CB 3.27Å; A270-R274 WeakPolarHBondContact O-CD 3.21Å; A270-R274 WeakPolarHBondContact O-CG 3.37Å; A270-R274 PolarHBondContact O-N 2.9Å
271E92.2Very high92.6Very high121 Ų12158 Ų5857%0.56533%0.33SS*.Hα-helixtrans-69.2-41.7174.2-73.4-179.9-179.800112.6H267 V268 R274 L275H267-E271 WeakPolarHBondContact O-CG 3.27Å; H267-E271 PolarHBondContact O-N 3.16Å; V268-E271 PolarHBondContact O-N 3.34Å; E271-R274 WeakPolarHBondContact O-CB 3.19Å; E271-R274 PolarHBondContact O-N 3.45Å; E271-L275 WeakPolarHBondContact O-CB 3.36Å; E271-L275 PolarHBondContact O-N 3.17Å
272D94Very high92.7Very high8 Ų851.5 Ų51.54%0.04330%0.299CS..Hα-helixtrans-61.7-41.9172.7-81-27.8000111.9Q255 L256 N259 V268 L269 L275 L276Q255-D272 PolarHBondContact NE2-OD1 2.82Å; L256-D272 HydrophobicContact CB-CB 4.02Å; L256-D272 HydrophobicContact CD1-CB 3.74Å; L256-D272 HydrophobicContact CG-CB 4.37Å; N259-D272 PolarHBondContact ND2-OD2 2.83Å; V268-D272 PolarHBondContact O-N 2.97Å; L269-D272 PolarHBondContact O-N 3.2Å; D272-L275 PolarHBondContact O-N 2.87Å; D272-L276 WeakPolarHBondContact O-CB 3.35Å; D272-L276 PolarHBondContact O-N 3.32Å
273V93.7Very high92.8Very high47 Ų4745.9 Ų45.929%0.28527%0.269SS..Hα-helixtrans-63.8-42.9173.9167.40000111.3K57 L256 L269 L275 L276 Q277K57-V273 HydrophobicContact CB-CG2 3.98Å; K57-V273 HydrophobicContact CG-CG2 3.74Å; L256-V273 HydrophobicContact CD1-CG2 3.96Å; L256-V273 HydrophobicContact CD2-CG2 3.71Å; L269-V273 WeakPolarHBondContact O-CB 3.45Å; L269-V273 VanDerWaalsContact O-CG2 3.24Å; L269-V273 WeakPolarHBondContact O-CG2 3.31Å; L269-V273 PolarHBondContact O-N 3.17Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.08Å; V273-L276 PolarHBondContact O-N 3.12Å; V273-Q277 WeakPolarHBondContact O-CB 3.22Å; V273-Q277 PolarHBondContact O-N 2.88Å
274R92.4Very high93Very high132 Ų13243.6 Ų43.650%0.49824%0.242SC..Hα-helixtrans-60-42.4173.8-77.9163.9163.6169.9-4111.7E163 A270 E271 Q277 Y278E163-R274 IonicContact OE1-CZ 2.85Å; E163-R274 IonicContact OE1-NE 3.2Å; E163-R274 PolarHBondContact OE1-NE 3.05Å; E163-R274 IonicContact OE1-NH2 3.36Å; E163-R274 PolarHBondContact OE1-NH2 3.31Å; E163-R274 IonicContact OE2-NH2 3.48Å; E163-R274 PolarHBondContact OE2-NH2 2.78Å; A270-R274 WeakPolarHBondContact O-CB 3.27Å; A270-R274 WeakPolarHBondContact O-CD 3.21Å; A270-R274 WeakPolarHBondContact O-CG 3.37Å; A270-R274 PolarHBondContact O-N 2.9Å; E271-R274 WeakPolarHBondContact O-CB 3.19Å; E271-R274 PolarHBondContact O-N 3.45Å; R274-Q277 PolarHBondContact O-N 3.25Å; R274-Y278 WeakPolarHBondContact O-CB 3.33Å; R274-Y278 PolarHBondContact O-N 3.3Å
275L94.1Very high93.1Very high68 Ų6843.2 Ų43.236%0.35624%0.235SC..Hα-helixtrans-65.1-47177.3-174.764.1000111.1A252 E271 D272 V273 Q277 Y278 H279A252-L275 HydrophobicContact CB-CD2 4.49Å; A252-L275 HydrophobicContact CB-CG 4.43Å; E271-L275 WeakPolarHBondContact O-CB 3.36Å; E271-L275 PolarHBondContact O-N 3.17Å; D272-L275 PolarHBondContact O-N 2.87Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.08Å; L275-Q277 PolarHBondContact O-N 2.92Å; L275-Y278 WeakPolarHBondContact O-CB 3.49Å; L275-Y278 PolarHBondContact O-N 3.39Å; L275-H279 PolarHBondContact O-CD2 2.96Å; L275-H279 VanDerWaalsContact O-CD2 3.27Å; L275-H279 PolarHBondContact O-N 3.32Å
276L95.1Very high93.2Very high1 Ų140.9 Ų40.91%0.00522%0.216CC..Hα-helixtrans-59.3-47175.4-17661.6000111.4L55 V59 I249 A252 N253 L256 D272 V273 Y278 H279 V280L55-L276 HydrophobicContact CD2-CD1 4.41Å; V59-L276 HydrophobicContact CG2-CD2 4.12Å; V59-L276 HydrophobicContact CG2-CG 4.17Å; I249-L276 HydrophobicContact CG2-CD1 3.88Å; A252-L276 HydrophobicContact CB-CB 4.49Å; A252-L276 HydrophobicContact CB-CD1 4.2Å; N253-L276 HydrophobicContact CB-CD1 4.05Å; L256-L276 HydrophobicContact CD2-CD2 3.89Å; D272-L276 WeakPolarHBondContact O-CB 3.35Å; D272-L276 PolarHBondContact O-N 3.32Å; V273-L276 PolarHBondContact O-N 3.12Å; L276-Y278 VanDerWaalsContact C-N 3.33Å; L276-Y278 PolarHBondContact O-N 3.01Å; L276-H279 PolarHBondContact O-N 2.94Å; L276-V280 HydrophobicContact CD1-CG2 4.31Å; L276-V280 WeakPolarHBondContact O-CB 3.39Å; L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 2.97Å
277Q94.2Very high93.3Very high16 Ų1641.9 Ų41.98%0.07521%0.207CC..Hα-helixtrans-59.2-39.3175.5174.663.290.200112.5V59 F60 L162 V273 R274 L275 A281V59-Q277 HydrophobicContact CG1-CB 4.24Å; V59-Q277 HydrophobicContact CG1-CG 4.47Å; V59-Q277 VanDerWaalsContact CG1-NE2 3.34Å; F60-Q277 VanDerWaalsContact CB-OE1 3.32Å; F60-Q277 PolarHBondContact O-NE2 3.31Å; L162-Q277 HydrophobicContact CB-CG 4.01Å; L162-Q277 HydrophobicContact CD1-CG 3.98Å; V273-Q277 WeakPolarHBondContact O-CB 3.22Å; V273-Q277 PolarHBondContact O-N 2.88Å; R274-Q277 PolarHBondContact O-N 3.25Å; L275-Q277 PolarHBondContact O-N 2.92Å; Q277-A281 WeakPolarHBondContact O-CB 3.33Å; Q277-A281 PolarHBondContact O-N 2.75Å
278Y94.9Very high93.4Very high47 Ų4736.6 Ų36.618%0.18418%0.183CC..Hα-helixtrans-65.6-45.7173.5167.5-103.1000112.3R274 L275 L276 A281 T282 I291 P292 A294R274-Y278 WeakPolarHBondContact O-CB 3.33Å; R274-Y278 PolarHBondContact O-N 3.3Å; L275-Y278 WeakPolarHBondContact O-CB 3.49Å; L275-Y278 PolarHBondContact O-N 3.39Å; L276-Y278 VanDerWaalsContact C-N 3.33Å; L276-Y278 PolarHBondContact O-N 3.01Å; Y278-A281 PolarHBondContact O-N 3.32Å; Y278-T282 HydrophobicContact CD2-CG2 4.1Å; Y278-T282 HydrophobicContact CE2-CG2 3.63Å; Y278-T282 PolarHBondContact O-N 3.16Å; Y278-T282 PolarHBondContact O-OG1 3.19Å; Y278-I291 HydrophobicContact CD2-CG2 3.77Å; Y278-I291 HydrophobicContact CE2-CG2 3.6Å; Y278-P292 HydrophobicContact CE2-CG 4.21Å; Y278-P292 VanDerWaalsContact CE2-O 3.23Å; Y278-P292 WeakPolarHBondContact CE2-O 3.44Å; Y278-P292 PolarHBondContact OH-O 2.64Å; Y278-A294 PolarHBondContact OH-N 3.43Å
279H95.8Very high93.2Very high30 Ų3040.1 Ų40.114%0.13921%0.206CC..Hα-helixtrans-67.9-39.6-179.2-83.6-100.3000112.5K245 D248 I249 L275 L276 L283K245-H279 WeakPolarHBondContact CE-ND1 3.22Å; K245-H279 WeakPolarHBondContact CE-O 3.24Å; K245-H279 PolarHBondContact NZ-ND1 2.8Å; D248-H279 VanDerWaalsContact CB-CE1 3.43Å; D248-H279 WeakPolarHBondContact CB-CE1 3.41Å; D248-H279 WeakPolarHBondContact CB-ND1 3.28Å; D248-H279 IonicContact OD2-CE1 3.56Å; I249-H279 HydrophobicContact CG1-CB 3.71Å; L275-H279 PolarHBondContact O-CD2 2.96Å; L275-H279 VanDerWaalsContact O-CD2 3.27Å; L275-H279 PolarHBondContact O-N 3.32Å; L276-H279 PolarHBondContact O-N 2.94Å; H279-L283 PolarHBondContact O-N 2.97Å
280V95.5Very high92.9Very high0 Ų042.6 Ų42.60%024%0.24CC..Hα-helixtrans-67.1-43.41741730000111.4V59 L216 L219 I249 L276 T282 L283V59-V280 HydrophobicContact CG1-CB 3.98Å; V59-V280 HydrophobicContact CG1-CG1 3.93Å; V59-V280 HydrophobicContact CG1-CG2 4.36Å; L216-V280 HydrophobicContact CD1-CG1 3.75Å; L219-V280 HydrophobicContact CD1-CG1 4.49Å; I249-V280 HydrophobicContact CD1-CG2 4.19Å; I249-V280 HydrophobicContact CG1-CG2 4.3Å; I249-V280 HydrophobicContact CG2-CG2 3.97Å; L276-V280 HydrophobicContact CD1-CG2 4.31Å; L276-V280 WeakPolarHBondContact O-CB 3.39Å; L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 2.97Å; V280-T282 PolarHBondContact O-N 3.33Å; V280-L283 PolarHBondContact O-N 2.72Å
281A94.6Very high92.9Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-61.3-46.5177.600000112.1V62 L162 Q277 Y278 L283 I284 D285 I288V62-A281 HydrophobicContact CB-CB 3.99Å; V62-A281 HydrophobicContact CG1-CB 4.29Å; V62-A281 HydrophobicContact CG2-CB 4.26Å; L162-A281 HydrophobicContact CD1-CB 3.82Å; L162-A281 HydrophobicContact CD2-CB 4.25Å; Q277-A281 WeakPolarHBondContact O-CB 3.33Å; Q277-A281 PolarHBondContact O-N 2.75Å; Y278-A281 PolarHBondContact O-N 3.32Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 3.22Å; A281-I284 PolarHBondContact O-N 2.77Å; A281-I284 VanDerWaalsContact O-N 3.11Å; A281-D285 PolarHBondContact O-N 2.83Å; A281-I288 HydrophobicContact CB-CD1 3.97Å
282T94.9Very high92.8Very high5 Ų540.6 Ų40.63%0.03123%0.232CC..Hα-helixtrans-75.3-12.2-177.7500000115K245 Y278 V280 D285 A294K245-T282 WeakPolarHBondContact CE-OG1 3.38Å; K245-T282 PolarHBondContact NZ-OG1 3.28Å; Y278-T282 HydrophobicContact CD2-CG2 4.1Å; Y278-T282 HydrophobicContact CE2-CG2 3.63Å; Y278-T282 PolarHBondContact O-N 3.16Å; Y278-T282 PolarHBondContact O-OG1 3.19Å; V280-T282 PolarHBondContact O-N 3.33Å; T282-D285 WeakPolarHBondContact CA-O 3.2Å; T282-A294 HydrophobicContact CG2-CB 4.38Å
283L95.1Very high92.7Very high10 Ų1046.7 Ų46.75%0.05226%0.255CS..Hα-helixtrans-67.8-38.8164.9-179.870.8000111.6L219 L242 K245 I246 I249 H279 V280 A281 S304 L305L219-L283 HydrophobicContact CD2-CD2 4.38Å; L242-L283 HydrophobicContact CD2-CD1 3.75Å; K245-L283 HydrophobicContact CB-CD1 3.94Å; K245-L283 HydrophobicContact CG-CB 4.02Å; K245-L283 HydrophobicContact CG-CD1 3.93Å; I246-L283 HydrophobicContact CG1-CD1 4.01Å; I246-L283 HydrophobicContact CG1-CD2 4.27Å; I249-L283 HydrophobicContact CD1-CB 4.08Å; I249-L283 HydrophobicContact CD1-CD2 3.75Å; I249-L283 HydrophobicContact CD1-CG 4.41Å; H279-L283 PolarHBondContact O-N 2.97Å; V280-L283 PolarHBondContact O-N 2.72Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 3.22Å; L283-S304 WeakPolarHBondContact O-CB 3.34Å; L283-L305 PolarHBondContact O-N 2.84Å
284I94Very high92.7Very high18 Ų1844.8 Ų44.89%0.09224%0.244CC..Hα-helixtrans-83-57.1-177.1-60.8160000109.8V62 A281 S304 K306V62-I284 HydrophobicContact CG1-CB 3.93Å; V62-I284 HydrophobicContact CG1-CD1 4.18Å; V62-I284 HydrophobicContact CG1-CG2 3.97Å; A281-I284 PolarHBondContact O-N 2.77Å; A281-I284 VanDerWaalsContact O-N 3.11Å; I284-S304 WeakPolarHBondContact O-CB 3.42Å; I284-S304 PolarHBondContact O-OG 3.19Å; I284-K306 WeakPolarHBondContact O-CB 3.43Å; I284-K306 PolarHBondContact O-N 2.65Å
285D92.7Very high92.8Very high21 Ų2142.1 Ų42.111%0.11224%0.242CC..  trans-132.6112.9-177.6-168-16.3000110.1V62 A281 T282 E287 I288 K306V62-D285 HydrophobicContact CG1-CB 4.41Å; A281-D285 PolarHBondContact O-N 2.83Å; T282-D285 WeakPolarHBondContact CA-O 3.2Å; D285-E287 PolarHBondContact OD1-N 3.48Å; D285-I288 HydrophobicContact CB-CD1 4.42Å; D285-I288 HydrophobicContact CB-CG1 3.95Å; D285-I288 WeakPolarHBondContact O-CD1 3.47Å; D285-I288 WeakPolarHBondContact O-CG1 3.19Å; D285-K306 HydrophobicContact CB-CD 3.99Å; D285-K306 VanDerWaalsContact CG-CD 3.46Å; D285-K306 WeakPolarHBondContact OD2-CD 3.36Å; D285-K306 WeakPolarHBondContact OD2-CE 3.32Å; D285-K306 IonicContact OD2-NZ 3.51Å; D285-K306 PolarHBondContact OD2-NZ 2.95Å
286N93.2Very high92.5Very high2 Ų241.9 Ų41.91%0.01124%0.239CC..SBendtrans-99.113.3179.3-161.220.8000112.7R293 A294 L302N286-R293 WeakPolarHBondContact O-CG 3.46Å; N286-R293 WeakPolarHBondContact OD1-CA 3.42Å; N286-A294 PolarHBondContact ND2-O 3.41Å; N286-A294 PolarHBondContact OD1-N 3.34Å; N286-L302 PolarHBondContact ND2-N 2.8Å; N286-L302 PolarHBondContact ND2-O 3.3Å
287E90.3Very high92Very high101 Ų10152 Ų5247%0.47228%0.283SS..  trans-119.118.6179-68.9178.8-174.500112.7D285 P289 Q307D285-E287 PolarHBondContact OD1-N 3.48Å; E287-P289 WeakPolarHBondContact O-CD 3.34Å; E287-Q307 PolarHBondContact OE1-NE2 3.06Å
288I89.8Confident91.6Very high14 Ų1455.4 Ų55.47%0.07231%0.309CS..  trans-60.4123.9-179.2-51.8155.2000110.4V62 A281 D285 I291V62-I288 HydrophobicContact CG2-CD1 3.8Å; V62-I288 HydrophobicContact CG2-CG1 4.23Å; A281-I288 HydrophobicContact CB-CD1 3.97Å; D285-I288 HydrophobicContact CB-CD1 4.42Å; D285-I288 HydrophobicContact CB-CG1 3.95Å; D285-I288 WeakPolarHBondContact O-CD1 3.47Å; D285-I288 WeakPolarHBondContact O-CG1 3.19Å; I288-I291 HydrophobicContact CB-CB 4.3Å; I288-I291 HydrophobicContact CB-CD1 3.96Å; I288-I291 HydrophobicContact CB-CG1 4.34Å; I288-I291 HydrophobicContact CD1-CD1 4.1Å; I288-I291 HydrophobicContact CG2-CD1 3.53Å; I288-I291 HydrophobicContact CG2-CG1 4.04Å; I288-I291 PolarHBondContact O-N 3.1Å
289P88.2Confident91.3Very high121 Ų12155.6 Ų55.679%0.78633%0.325SS*.THydrogen-bonded Turntrans-59.5138.2178.1-2635.5000112.9E287 I291E287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-I291 VanDerWaalsContact C-N 3.31Å; P289-I291 PolarHBondContact O-N 2.92Å
290G86Confident91.1Very high88 Ų8860.7 Ų60.791%0.90734%0.343SS*.THydrogen-bonded Turntrans77.67.7178.900000115.4
291I89.6Confident90.9Very high29 Ų2963.3 Ų63.315%0.14936%0.36CS..SBendtrans-120.7135.4-178.5-60.2-171.8000109.9L162 Y278 I288 P289 R293L162-I291 HydrophobicContact CD1-CD1 3.89Å; L162-I291 HydrophobicContact CD2-CD1 3.56Å; L162-I291 HydrophobicContact CG-CD1 3.49Å; L162-I291 VanDerWaalsContact CG-CD1 3.49Å; Y278-I291 HydrophobicContact CD2-CG2 3.77Å; Y278-I291 HydrophobicContact CE2-CG2 3.6Å; I288-I291 HydrophobicContact CB-CB 4.3Å; I288-I291 HydrophobicContact CB-CD1 3.96Å; I288-I291 HydrophobicContact CB-CG1 4.34Å; I288-I291 HydrophobicContact CD1-CD1 4.1Å; I288-I291 HydrophobicContact CG2-CD1 3.53Å; I288-I291 HydrophobicContact CG2-CG1 4.04Å; I288-I291 PolarHBondContact O-N 3.1Å; P289-I291 VanDerWaalsContact C-N 3.31Å; P289-I291 PolarHBondContact O-N 2.92Å; I291-R293 PolarHBondContact O-N 2.88Å
292P90.9Very high90.8Very high94 Ų9463.9 Ų63.961%0.6136%0.363SS*.PPolyproline II helixtrans-65.3126.8177.126.4-34.4000111Y278 A294Y278-P292 HydrophobicContact CE2-CG 4.21Å; Y278-P292 VanDerWaalsContact CE2-O 3.23Å; Y278-P292 WeakPolarHBondContact CE2-O 3.44Å; Y278-P292 PolarHBondContact OH-O 2.64Å; P292-A294 PolarHBondContact O-N 3.45Å
293R92.3Very high90.7Very high137 Ų13769.6 Ų69.652%0.51739%0.387SS..PPolyproline II helixtrans-63.9133.1-179.3-59.7-171174.7162.8-4.2110.9N286 I291 T295N286-R293 WeakPolarHBondContact O-CG 3.46Å; N286-R293 WeakPolarHBondContact OD1-CA 3.42Å; I291-R293 PolarHBondContact O-N 2.88Å; R293-T295 PolarHBondContact O-N 3.49Å
294A93.3Very high90.6Very high6 Ų669.2 Ų69.25%0.0539%0.386CS..PPolyproline II helixtrans-67.7121.217200000109.7K245 Y278 T282 N286 P292 L302K245-A294 HydrophobicContact CD-CB 4.22Å; Y278-A294 PolarHBondContact OH-N 3.43Å; T282-A294 HydrophobicContact CG2-CB 4.38Å; N286-A294 PolarHBondContact ND2-O 3.41Å; N286-A294 PolarHBondContact OD1-N 3.34Å; P292-A294 PolarHBondContact O-N 3.45Å; A294-L302 HydrophobicContact CB-CD1 4.32Å; A294-L302 PolarHBondContact O-N 2.94Å
295T93.6Very high90.6Very high76 Ų7671.3 Ų71.347%0.46640%0.397SS..BIsolated β-bridgetrans-117.7155.1-176.9520000111.4R293 G299 R300R293-T295 PolarHBondContact O-N 3.49Å; T295-G299 WeakPolarHBondContact CG2-O 3.3Å; T295-R300 CarbonylContact C-O 3.53Å; T295-R300 VanDerWaalsContact CA-O 3.28Å; T295-R300 WeakPolarHBondContact CA-O 3.21Å
296H87.5Confident90.5Very high64 Ų6472 Ų7230%0.29640%0.399SS..  trans-71.8166.5164.2-173.6-105.2000110.1S298 G299 R300 L302H296-S298 PolarHBondContact ND1-OG 3.12Å; H296-S298 PolarHBondContact O-N 2.88Å; H296-G299 PolarHBondContact O-N 2.99Å; H296-R300 PolarHBondContact N-O 3.43Å; H296-L302 HydrophobicContact CB-CD2 4.1Å
297K84.6Confident90.4Very high213 Ų21374.3 Ų74.393%0.92641%0.409SS*.THydrogen-bonded Turntrans-54.5-13.8176.6-65.8-171.4176.3-172.30115.1
298S87.5Confident90.5Very high88 Ų8872 Ų7262%0.61540%0.396SS*.THydrogen-bonded Turntrans-98.413.2176.352.80000114.1H296 R300H296-S298 PolarHBondContact ND1-OG 3.12Å; H296-S298 PolarHBondContact O-N 2.88Å; S298-R300 PolarHBondContact O-N 2.75Å; S298-R300 VanDerWaalsContact O-N 3.08Å
299G88.5Confident90.6Very high50 Ų5074.2 Ų74.252%0.51541%0.408SS..SBendtrans73.6-9.7-178.300000115.3T295 H296T295-G299 WeakPolarHBondContact CG2-O 3.3Å; H296-G299 PolarHBondContact O-N 2.99Å
300R91.2Very high90.6Very high138 Ų13873 Ų7352%0.52139%0.39SS..PPolyproline II helixtrans-63.6128.7175-169.3-172.484.3-177.41.6110.2D241 T295 H296 S298D241-R300 VanDerWaalsContact CG-NH2 3.31Å; D241-R300 IonicContact OD1-CZ 2.8Å; D241-R300 IonicContact OD1-NH2 3.22Å; D241-R300 PolarHBondContact OD1-NH2 3.34Å; D241-R300 IonicContact OD2-NH2 3.49Å; D241-R300 PolarHBondContact OD2-NH2 3.26Å; T295-R300 CarbonylContact C-O 3.53Å; T295-R300 VanDerWaalsContact CA-O 3.28Å; T295-R300 WeakPolarHBondContact CA-O 3.21Å; H296-R300 PolarHBondContact N-O 3.43Å; S298-R300 PolarHBondContact O-N 2.75Å; S298-R300 VanDerWaalsContact O-N 3.08Å
301P91.2Very high90.2Very high55 Ų5570.8 Ų70.836%0.35737%0.368SS..BIsolated β-bridgetrans-62.9141.1171.826.7-34.2000111.3
302L92.6Very high89.7Confident11 Ų1176.5 Ų76.56%0.05839%0.391CS..PPolyproline II helixtrans-74.6135.8175.3-62.2172.5000110.4D241 K245 N286 A294 H296 S304 Q307D241-L302 HydrophobicContact CB-CB 4.22Å; D241-L302 HydrophobicContact CB-CD2 4.01Å; D241-L302 WeakPolarHBondContact OD1-CD2 3.42Å; K245-L302 HydrophobicContact CB-CD1 4.31Å; K245-L302 HydrophobicContact CD-CD1 4.01Å; N286-L302 PolarHBondContact ND2-N 2.8Å; N286-L302 PolarHBondContact ND2-O 3.3Å; A294-L302 HydrophobicContact CB-CD1 4.32Å; A294-L302 PolarHBondContact O-N 2.94Å; H296-L302 HydrophobicContact CB-CD2 4.1Å; L302-S304 PolarHBondContact O-N 2.77Å; L302-Q307 PolarHBondContact O-OE1 2.82Å
303K92.4Very high89.4Confident125 Ų12580.2 Ų80.254%0.54340%0.401SS..  trans-76.7100.1178.4-72.9-168.5174-1700112.4D241 R308D241-K303 WeakPolarHBondContact OD2-CB 3.22Å; D241-K303 PolarHBondContact OD2-N 3.04Å; K303-R308 PolarHBondContact O-NE 2.87Å; K303-R308 PolarHBondContact O-NH2 3.41Å
304S93.2Very high89Confident3 Ų373.9 Ų73.92%0.02138%0.378CS..  trans-66.2167.2178.794.40000113.3L283 I284 L302 K306 Q307 R308L283-S304 WeakPolarHBondContact O-CB 3.34Å; I284-S304 WeakPolarHBondContact O-CB 3.42Å; I284-S304 PolarHBondContact O-OG 3.19Å; L302-S304 PolarHBondContact O-N 2.77Å; S304-K306 PolarHBondContact O-N 3.5Å; S304-K306 PolarHBondContact OG-N 3.22Å; S304-Q307 PolarHBondContact O-N 3.18Å; S304-Q307 PolarHBondContact OG-N 3.47Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.8Å; S304-R308 VanDerWaalsContact O-N 3.07Å
305L93.4Very high88.9Confident62 Ų6280.4 Ų80.433%0.32540%0.401SS..Hα-helixtrans-57.6-45176.7-65.9173.3000112.4L242 L283 Q307 R308 L309L242-L305 HydrophobicContact CD1-CD2 3.72Å; L242-L305 HydrophobicContact CD2-CD2 3.98Å; L242-L305 HydrophobicContact CD2-CG 4.15Å; L283-L305 PolarHBondContact O-N 2.84Å; L305-Q307 PolarHBondContact O-N 3.14Å; L305-R308 PolarHBondContact O-N 3.13Å; L305-R308 VanDerWaalsContact O-N 3.15Å; L305-L309 PolarHBondContact O-N 3.08Å
306K92.3Very high88.7Confident36 Ų3677.5 Ų77.516%0.15738%0.383CS..Hα-helixtrans-60.2-41.9176.5-172.4175.6-171.7169.20112.5I284 D285 S304 R308 L309 K310 V1378 D1379I284-K306 WeakPolarHBondContact O-CB 3.43Å; I284-K306 PolarHBondContact O-N 2.65Å; D285-K306 HydrophobicContact CB-CD 3.99Å; D285-K306 VanDerWaalsContact CG-CD 3.46Å; D285-K306 WeakPolarHBondContact OD2-CD 3.36Å; D285-K306 WeakPolarHBondContact OD2-CE 3.32Å; D285-K306 IonicContact OD2-NZ 3.51Å; D285-K306 PolarHBondContact OD2-NZ 2.95Å; S304-K306 PolarHBondContact O-N 3.5Å; S304-K306 PolarHBondContact OG-N 3.22Å; K306-R308 VanDerWaalsContact C-N 3.29Å; K306-R308 PolarHBondContact O-N 2.83Å; K306-L309 PolarHBondContact O-N 3.2Å; K306-K310 WeakPolarHBondContact O-CB 3.11Å; K306-K310 PolarHBondContact O-N 2.88Å; K306-V1378 HydrophobicContact CG-CB 4.13Å; K306-V1378 HydrophobicContact CG-CG1 4.05Å; K306-V1378 HydrophobicContact CG-CG2 4.1Å; K306-D1379 IonicContact NZ-OD1 2.67Å; K306-D1379 PolarHBondContact NZ-OD1 2.84Å
307Q90.6Very high88.6Confident50 Ų5078.7 Ų78.723%0.23438%0.384CS..Hα-helixtrans-68.3-24.9177-69.3173.4-4700113.2E287 L302 S304 L305E287-Q307 PolarHBondContact OE1-NE2 3.06Å; L302-Q307 PolarHBondContact O-OE1 2.82Å; S304-Q307 PolarHBondContact O-N 3.18Å; S304-Q307 PolarHBondContact OG-N 3.47Å; L305-Q307 PolarHBondContact O-N 3.14Å
308R93Very high88.5Confident52 Ų5270 Ų7020%0.19636%0.356CS..Hα-helixtrans-75.7-28.2174.1-69.4171.4-172.8-127.1-15112.8D240 K303 S304 L305 K306 G314 R315D240-R308 VanDerWaalsContact CG-NH2 3.28Å; D240-R308 IonicContact OD1-CZ 4Å; D240-R308 IonicContact OD1-NH1 2.75Å; D240-R308 PolarHBondContact OD1-NH1 3.38Å; D240-R308 IonicContact OD1-NH2 2.68Å; D240-R308 PolarHBondContact OD1-NH2 3.29Å; D240-R308 IonicContact OD2-CZ 2.7Å; D240-R308 VanDerWaalsContact OD2-CZ 3.3Å; D240-R308 IonicContact OD2-NH1 3.49Å; D240-R308 PolarHBondContact OD2-NH1 2.73Å; D240-R308 IonicContact OD2-NH2 3.13Å; D240-R308 PolarHBondContact OD2-NH2 3Å; K303-R308 PolarHBondContact O-NE 2.87Å; K303-R308 PolarHBondContact O-NH2 3.41Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.8Å; S304-R308 VanDerWaalsContact O-N 3.07Å; L305-R308 PolarHBondContact O-N 3.13Å; L305-R308 VanDerWaalsContact O-N 3.15Å; K306-R308 VanDerWaalsContact C-N 3.29Å; K306-R308 PolarHBondContact O-N 2.83Å; R308-G314 CarbonylContact O-C 3.51Å; R308-G314 WeakPolarHBondContact O-CA 3.44Å; R308-R315 PolarHBondContact O-N 3.31Å
309L91.2Very high88.6Confident61 Ų6169.3 Ų69.332%0.31935%0.345SS..Hα-helixtrans-90.3-40.8-179-64.9176.3000113.2L305 K306 G314 R315 V1378L305-L309 PolarHBondContact O-N 3.08Å; K306-L309 PolarHBondContact O-N 3.2Å; L309-G314 CarbonylContact O-C 3.59Å; L309-R315 HydrophobicContact CD2-CB 4.33Å; L309-V1378 HydrophobicContact CB-CG2 3.63Å; L309-V1378 HydrophobicContact CD1-CG2 4.23Å
310K87.6Confident88.6Confident95 Ų9570.7 Ų70.741%0.41334%0.34SS..SBendtrans-80.5150.5-174.7-173.3173.7179.6173.40113K306 G314 V1378K306-K310 WeakPolarHBondContact O-CB 3.11Å; K306-K310 PolarHBondContact O-N 2.88Å; K310-G314 WeakPolarHBondContact O-CA 3.34Å; K310-V1378 HydrophobicContact CB-CG2 4.26Å
311G77.9Confident88.3Confident42 Ų4264.3 Ų64.343%0.43332%0.316SS..SBendtrans108-170.6166.800000115.2R317G311-R317 WeakPolarHBondContact O-CB 3.28Å
312K79.8Confident87.7Confident148 Ų14862.8 Ų62.864%0.64331%0.31SS*.SBendtrans-73.2-37.8175.7-172.5-177174.5-171.20111.9
313E83.3Confident87.2Confident173 Ų17366.7 Ų66.781%0.80833%0.327SS*.SBendtrans-97.5-1.1179.5-59.3178.7176.500113
314G84.8Confident86.9Confident4 Ų472.6 Ų72.64%0.04135%0.346CS..SBendtrans-69148.4174.200000111.5R308 L309 K310 I316 R317 G318R308-G314 CarbonylContact O-C 3.51Å; R308-G314 WeakPolarHBondContact O-CA 3.44Å; L309-G314 CarbonylContact O-C 3.59Å; K310-G314 WeakPolarHBondContact O-CA 3.34Å; G314-I316 VanDerWaalsContact C-N 3.27Å; G314-I316 PolarHBondContact O-N 2.96Å; G314-R317 PolarHBondContact O-N 3.36Å; G314-G318 PolarHBondContact O-N 3.35Å
315R90.7Very high86.6Confident143 Ų14374 Ų7454%0.5436%0.355SS..Hα-helixtrans-48.1-43.2-167.3-67.6-50.6-169.2-159.11.8114.4R308 L309 R317 N319 L320R308-R315 PolarHBondContact O-N 3.31Å; L309-R315 HydrophobicContact CD2-CB 4.33Å; R315-R317 PolarHBondContact O-N 3.42Å; R315-N319 WeakPolarHBondContact CD-OD1 3.43Å; R315-N319 PolarHBondContact NH1-OD1 3.26Å; R315-N319 WeakPolarHBondContact O-CA 3.4Å; R315-N319 WeakPolarHBondContact O-CB 3.43Å; R315-N319 PolarHBondContact O-N 3.4Å; R315-L320 PolarHBondContact O-N 2.94Å
316I89.4Confident86.4Confident14 Ų1477.6 Ų77.67%0.07237%0.374CS..Iπ-helixtrans-66.1-40.3-175-70177.6000111.3G314 L320 M321 T1377 L1381 M1401G314-I316 VanDerWaalsContact C-N 3.27Å; G314-I316 PolarHBondContact O-N 2.96Å; I316-L320 HydrophobicContact CG1-CD1 4.13Å; I316-M321 WeakPolarHBondContact O-CB 3.21Å; I316-M321 VanDerWaalsContact O-CG 3.24Å; I316-M321 WeakPolarHBondContact O-CG 3.38Å; I316-M321 PolarHBondContact O-N 2.82Å; I316-T1377 HydrophobicContact CB-CG2 4.16Å; I316-T1377 HydrophobicContact CD1-CG2 3.5Å; I316-T1377 HydrophobicContact CG1-CG2 4.31Å; I316-T1377 HydrophobicContact CG2-CG2 4.35Å; I316-L1381 HydrophobicContact CD1-CD1 4.07Å; I316-M1401 HydrophobicContact CG2-CE 3.76Å; I316-M1401 HydrophobicContact CG2-SD 3.99Å
317R84.4Confident86.5Confident89 Ų8979.5 Ų79.534%0.33638%0.382SS..Iπ-helixtrans-89-36.3178.8-174.2166.4174.3-160.21.2114.1G311 G314 R315 G322G311-R317 WeakPolarHBondContact O-CB 3.28Å; G314-R317 PolarHBondContact O-N 3.36Å; R315-R317 PolarHBondContact O-N 3.42Å; R317-G322 PolarHBondContact O-N 3.16Å
318G83.8Confident86.7Confident31 Ų3179.4 Ų79.432%0.3239%0.387SS..Iπ-helixtrans-103.30.3-171.600000116.1G314 G322G314-G318 PolarHBondContact O-N 3.35Å; G318-G322 CarbonylContact C-O 3.59Å
319N89Confident86.8Confident74 Ų7477.8 Ų77.840%0.39639%0.385SS..Iπ-helixtrans-134.5-38.3172-69.3111000114.2R315 G322R315-N319 WeakPolarHBondContact CD-OD1 3.43Å; R315-N319 PolarHBondContact NH1-OD1 3.26Å; R315-N319 WeakPolarHBondContact O-CA 3.4Å; R315-N319 WeakPolarHBondContact O-CB 3.43Å; R315-N319 PolarHBondContact O-N 3.4Å; N319-G322 CarbonylContact C-O 3.52Å; N319-G322 VanDerWaalsContact CA-O 3.3Å; N319-G322 WeakPolarHBondContact CA-O 3.29Å; N319-G322 PolarHBondContact N-O 2.87Å
320L89Confident87Confident78 Ų7880.6 Ų80.641%0.40839%0.391SS..Iπ-helixtrans-85.8-64.2179.8-57.5-176.9000111.7R315 I316 M1401R315-L320 PolarHBondContact O-N 2.94Å; I316-L320 HydrophobicContact CG1-CD1 4.13Å; L320-M1401 HydrophobicContact CB-CG 4.07Å; L320-M1401 HydrophobicContact CD1-CB 4.29Å; L320-M1401 HydrophobicContact CD1-CG 4.18Å; L320-M1401 HydrophobicContact CD1-SD 4.24Å
321M84.3Confident87.4Confident4 Ų477.4 Ų77.42%0.0238%0.38CS..Iπ-helixtrans-67.2-40.6-177.5-66.5-58.9-50.700112.4I316 S1397 V1400 M1401 Y1660I316-M321 WeakPolarHBondContact O-CB 3.21Å; I316-M321 VanDerWaalsContact O-CG 3.24Å; I316-M321 WeakPolarHBondContact O-CG 3.38Å; I316-M321 PolarHBondContact O-N 2.82Å; M321-S1397 WeakPolarHBondContact CE-OG 3.17Å; M321-V1400 HydrophobicContact CE-CG1 4.19Å; M321-V1400 HydrophobicContact SD-CG1 4.33Å; M321-M1401 HydrophobicContact CG-CE 4.15Å; M321-M1401 HydrophobicContact CG-CG 4.5Å; M321-M1401 HydrophobicContact SD-CE 3.7Å; M321-M1401 HydrophobicContact SD-CG 3.77Å; M321-Y1660 HydrophobicContact CB-CD1 4.16Å; M321-Y1660 HydrophobicContact CB-CE1 3.58Å; M321-Y1660 HydrophobicContact CE-CD1 4.29Å; M321-Y1660 HydrophobicContact CE-CD2 3.56Å; M321-Y1660 HydrophobicContact CE-CE1 4.27Å; M321-Y1660 HydrophobicContact CE-CE2 3.51Å; M321-Y1660 HydrophobicContact CE-CG 3.96Å; M321-Y1660 WeakPolarHBondContact O-CD1 3.25Å
322G79.9Confident88.3Confident23 Ų2377.9 Ų77.924%0.23737%0.374CS..SBendtrans-123.9135.417200000110.9R317 G318 N319R317-G322 PolarHBondContact O-N 3.16Å; G318-G322 CarbonylContact C-O 3.59Å; N319-G322 CarbonylContact C-O 3.52Å; N319-G322 VanDerWaalsContact CA-O 3.3Å; N319-G322 WeakPolarHBondContact CA-O 3.29Å; N319-G322 PolarHBondContact N-O 2.87Å
323K82Confident89Confident94 Ų9470.9 Ų70.941%0.40934%0.344SS..  trans-131.9161.4179.759.9179.4176.7179.90110.9V325 T1663K323-V325 HydrophobicContact CD-CG1 4.43Å; K323-V325 HydrophobicContact CG-CG1 3.97Å; K323-T1663 PolarHBondContact NZ-O 2.73Å
324R85Confident89.6Confident248 Ų24864.5 Ų64.594%0.93632%0.317SS*.  trans-72.5148.5159-67.8-172.4177.8-149.3-1.7108.1
325V88Confident90.1Very high34 Ų3467.2 Ų67.221%0.20633%0.334CS..  trans-130.3135.4-175.5-64.60000111.1K323 S328K323-V325 HydrophobicContact CD-CG1 4.43Å; K323-V325 HydrophobicContact CG-CG1 3.97Å; V325-S328 PolarHBondContact O-OG 2.9Å
326D88.9Confident90.3Very high137 Ų13761 Ų6173%0.73331%0.312SS*.SBendtrans-73.6-179.9170.5-54.8-68000111S328D326-S328 PolarHBondContact O-N 3.04Å; D326-S328 VanDerWaalsContact O-N 3.15Å
327F93Very high90.3Very high75 Ų7562.4 Ų62.433%0.32932%0.321SS..SBendtrans5139.1179.9-53.5-81.5000113.6L471 Q473F327-L471 HydrophobicContact CB-CB 4.43Å; F327-L471 PolarHBondContact O-N 2.87Å; F327-Q473 HydrophobicContact CB-CG 4.3Å; F327-Q473 VanDerWaalsContact CD1-CD 3.44Å; F327-Q473 HydrophobicContact CD1-CG 4.32Å; F327-Q473 HydrophobicContact CD2-CG 3.81Å; F327-Q473 VanDerWaalsContact CE1-OE1 3.28Å; F327-Q473 HydrophobicContact CE2-CG 4.2Å; F327-Q473 VanDerWaalsContact CG-CD 3.49Å; F327-Q473 HydrophobicContact CG-CG 3.88Å
328S94.8Very high90.7Very high48 Ų4863.4 Ų63.434%0.33633%0.333SS..EExtended strand (participates in β ladder)trans-132.3155.8178.366.20000112.2V325 D326 L469 H470V325-S328 PolarHBondContact O-OG 2.9Å; D326-S328 PolarHBondContact O-N 3.04Å; D326-S328 VanDerWaalsContact O-N 3.15Å; S328-L469 CarbonylContact C-O 2.98Å; S328-L469 WeakPolarHBondContact CA-O 3.17Å; S328-L469 VanDerWaalsContact CB-O 3.25Å; S328-L469 WeakPolarHBondContact CB-O 3.41Å; S328-H470 WeakPolarHBondContact CB-ND1 3.47Å
329A95.4Very high91.1Very high19 Ų1962.5 Ų62.516%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-143.6159.3179.200000111.1I350 L354 F448 N468 L469A329-I350 HydrophobicContact CB-CD1 4.19Å; A329-I350 HydrophobicContact CB-CG1 4.45Å; A329-I350 HydrophobicContact CB-CG2 3.61Å; A329-L354 HydrophobicContact CB-CD1 4.15Å; A329-F448 HydrophobicContact CB-CZ 4.31Å; A329-N468 CarbonylContact O-C 3.55Å; A329-N468 VanDerWaalsContact O-CA 3.31Å; A329-N468 WeakPolarHBondContact O-CA 3.42Å; A329-L469 PolarHBondContact N-O 3Å; A329-L469 PolarHBondContact O-N 3.48Å
330R95.3Very high91.4Very high119 Ų11960.2 Ų60.245%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-144.9136.3179.6-179.5-176176.1107.5-4.3109.1E466 M467 N468R330-E466 HydrophobicContact CG-CB 4.27Å; R330-E466 IonicContact CZ-OE2 3.98Å; R330-E466 IonicContact NE-OE1 2.7Å; R330-E466 IonicContact NE-OE2 3.04Å; R330-E466 PolarHBondContact NE-OE2 3.03Å; R330-E466 IonicContact NH2-OE2 3.78Å; R330-E466 PolarHBondContact NH2-OE2 3.48Å; R330-M467 WeakPolarHBondContact CA-O 3.49Å; R330-N468 WeakPolarHBondContact CD-OD1 3.44Å; R330-N468 PolarHBondContact NH1-OD1 2.86Å
331T95.6Very high91.6Very high28 Ų2856.6 Ų56.617%0.17229%0.293CS..EExtended strand (participates in β ladder)trans-159.2172.1169.2-1750000108.9P347 I350 S446 F448 M467T331-P347 HydrophobicContact CG2-CG 4.39Å; T331-I350 HydrophobicContact CG2-CD1 3.95Å; T331-S446 PolarHBondContact OG1-O 3.31Å; T331-F448 HydrophobicContact CG2-CB 4.18Å; T331-F448 HydrophobicContact CG2-CD1 3.99Å; T331-F448 HydrophobicContact CG2-CD2 3.3Å; T331-F448 HydrophobicContact CG2-CE1 4.19Å; T331-F448 HydrophobicContact CG2-CE2 3.58Å; T331-F448 HydrophobicContact CG2-CG 3.53Å; T331-F448 HydrophobicContact CG2-CZ 4Å; T331-M467 PolarHBondContact O-N 3.21Å
332V96.8Very high92.1Very high52 Ų5256.9 Ų56.932%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-64.1141.3175.7177.50000110.2T447 F448 D465 E466V332-T447 HydrophobicContact CB-CG2 4.4Å; V332-T447 WeakPolarHBondContact O-CA 3.5Å; V332-T447 VanDerWaalsContact O-CB 3.32Å; V332-T447 WeakPolarHBondContact O-CB 3.27Å; V332-F448 PolarHBondContact O-N 2.62Å; V332-D465 WeakPolarHBondContact CA-O 3.19Å; V332-E466 HydrophobicContact CG2-CG 4.06Å
333I96Very high92.9Very high2 Ų258.3 Ų58.31%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-89.4152.617452.6160.4000112.6F424 F448 L450 A460 F462 D465 M467I333-F424 HydrophobicContact CG2-CE1 4.25Å; I333-F424 HydrophobicContact CG2-CZ 3.87Å; I333-F448 CarbonylContact C-O 3.53Å; I333-F448 WeakPolarHBondContact CA-O 3.38Å; I333-F448 HydrophobicContact CG2-CB 4.03Å; I333-L450 HydrophobicContact CB-CD2 3.78Å; I333-L450 HydrophobicContact CD1-CD2 4.11Å; I333-L450 HydrophobicContact CG2-CD2 3.64Å; I333-A460 HydrophobicContact CD1-CB 3.82Å; I333-F462 HydrophobicContact CB-CD1 4.16Å; I333-F462 HydrophobicContact CB-CE1 4.27Å; I333-F462 HydrophobicContact CD1-CD1 3.65Å; I333-F462 HydrophobicContact CD1-CE1 3.83Å; I333-F462 HydrophobicContact CG1-CD1 3.83Å; I333-F462 HydrophobicContact CG1-CE1 4.27Å; I333-D465 HydrophobicContact CD1-CB 3.82Å; I333-D465 HydrophobicContact CG1-CB 3.73Å; I333-D465 WeakPolarHBondContact CG1-O 3.42Å; I333-D465 PolarHBondContact N-O 3.17Å; I333-M467 HydrophobicContact CD1-SD 4.04Å; I333-M467 HydrophobicContact CG2-CB 3.87Å; I333-M467 HydrophobicContact CG2-CG 3.96Å; I333-M467 HydrophobicContact CG2-SD 3.85Å
334T96.2Very high93.6Very high39 Ų3953.8 Ų53.824%0.23928%0.276CS..EExtended strand (participates in β ladder)trans-141.2149.8175390000110.4T447 F448 R449 L450T334-T447 HydrophobicContact CG2-CG2 3.97Å; T334-T447 WeakPolarHBondContact OG1-CB 3.16Å; T334-T447 PolarHBondContact OG1-OG1 2.87Å; T334-F448 PolarHBondContact N-O 2.64Å; T334-F448 PolarHBondContact OG1-O 3.27Å; T334-R449 WeakPolarHBondContact O-CA 3.26Å; T334-L450 PolarHBondContact O-N 2.73Å
335P94.7Very high94.2Very high60 Ų6042 Ų4239%0.3923%0.231SC..EExtended strand (participates in β ladder)trans-72.7145.8178.128.3-33000111.4L452 F462P335-L452 HydrophobicContact CB-CD1 3.97Å; P335-L452 HydrophobicContact CB-CG 4.19Å; P335-F462 HydrophobicContact CB-CD2 4.18Å; P335-F462 HydrophobicContact CB-CE1 4.26Å; P335-F462 HydrophobicContact CB-CE2 3.69Å; P335-F462 HydrophobicContact CB-CZ 3.73Å; P335-F462 HydrophobicContact CG-CD2 4.25Å; P335-F462 HydrophobicContact CG-CE2 4.27Å; P335-F462 HydrophobicContact CG-CG 4.47Å
336D94Very high94.7Very high14 Ų1440.4 Ų40.48%0.07522%0.222CC..  trans-145.5108.7163.7-153.4-41000111.1N338 L339 R449 L450D336-N338 PolarHBondContact O-N 3.12Å; D336-N338 WeakPolarHBondContact OD1-CB 3.37Å; D336-N338 PolarHBondContact OD1-N 3.2Å; D336-N338 VanDerWaalsContact OD1-N 3.17Å; D336-N338 PolarHBondContact OD1-ND2 2.86Å; D336-L339 HydrophobicContact CB-CD1 4.01Å; D336-L339 HydrophobicContact CB-CG 4.04Å; D336-R449 HydrophobicContact CB-CB 4.02Å; D336-R449 WeakPolarHBondContact OD2-CD 3.42Å; D336-R449 IonicContact OD2-CZ 2.75Å; D336-R449 IonicContact OD2-NE 2.72Å; D336-R449 IonicContact OD2-NH1 3.02Å; D336-R449 PolarHBondContact OD2-NH1 3.46Å; D336-L450 PolarHBondContact N-O 2.54Å
337P90.9Very high95.1Very high42 Ų4233.9 Ų33.927%0.27319%0.187SC..THydrogen-bonded Turntrans-75.5-5.5-179.631.8-35.7000113.5L452P337-L452 HydrophobicContact CB-CD1 3.98Å
338N91.6Very high95.2Very high111 Ų11134.6 Ų34.659%0.59419%0.19SC*.THydrogen-bonded Turntrans-93.5-9.8-179.4-48.2-81.2000112.7D336D336-N338 PolarHBondContact O-N 3.12Å; D336-N338 WeakPolarHBondContact OD1-CB 3.37Å; D336-N338 PolarHBondContact OD1-N 3.2Å; D336-N338 VanDerWaalsContact OD1-N 3.17Å; D336-N338 PolarHBondContact OD1-ND2 2.86Å
339L93.6Very high95.1Very high12 Ų1236.8 Ų36.86%0.06320%0.202CC..SBendtrans-81.9138.7171.8-67-179.9000109.7D336 Q343 K441 R449 N451D336-L339 HydrophobicContact CB-CD1 4.01Å; D336-L339 HydrophobicContact CB-CG 4.04Å; L339-Q343 HydrophobicContact CB-CB 4.16Å; L339-Q343 HydrophobicContact CD2-CB 4.36Å; L339-K441 HydrophobicContact CD2-CB 4.24Å; L339-K441 HydrophobicContact CD2-CG 4.08Å; L339-R449 HydrophobicContact CD1-CB 3.78Å; L339-N451 PolarHBondContact O-ND2 3.05Å
340A94.1Very high95.2Very high26 Ų2637.1 Ų37.122%0.21520%0.2CC..  trans-61.1156.5170.500000110.7D342 Q343A340-D342 PolarHBondContact O-N 3.37Å; A340-Q343 HydrophobicContact CB-CG 4.02Å; A340-Q343 VanDerWaalsContact N-OE1 3.14Å; A340-Q343 PolarHBondContact O-N 3.42Å
341L94.2Very high95.2Very high1 Ų131.4 Ų31.41%0.00518%0.179CC..THydrogen-bonded Turntrans-48.8-36.5-174.5-172.572.6000113.8V454 I487 I491 M501 A607 L610 S611L341-V454 HydrophobicContact CD1-CG2 3.75Å; L341-V454 HydrophobicContact CG-CG2 4.28Å; L341-V454 VanDerWaalsContact O-CG2 3.26Å; L341-V454 WeakPolarHBondContact O-CG2 3.43Å; L341-I487 HydrophobicContact CD2-CG2 3.93Å; L341-I487 HydrophobicContact CG-CG2 3.74Å; L341-I491 HydrophobicContact CD2-CD1 4.05Å; L341-I491 HydrophobicContact CD2-CG1 4.24Å; L341-M501 HydrophobicContact CD1-SD 4.32Å; L341-M501 HydrophobicContact CD2-SD 4.08Å; L341-M501 HydrophobicContact CG-SD 4.38Å; L341-A607 HydrophobicContact CB-CB 4.39Å; L341-A607 HydrophobicContact CD2-CB 3.84Å; L341-L610 HydrophobicContact CD1-CB 4.39Å; L341-L610 HydrophobicContact CD1-CD1 4.3Å; L341-L610 HydrophobicContact CD2-CB 4.29Å; L341-L610 HydrophobicContact CD2-CD1 3.64Å; L341-S611 PolarHBondContact N-OG 3Å
342D95Very high95.1Very high11 Ų1132 Ų326%0.05918%0.18CC..THydrogen-bonded Turntrans-101.812.6-175.265.8-4000114.3A340 H438 R439 M486 I487 P488A340-D342 PolarHBondContact O-N 3.37Å; D342-H438 CarbonylContact O-C 3.56Å; D342-H438 WeakPolarHBondContact O-CA 3.48Å; D342-R439 PolarHBondContact O-N 3.49Å; D342-R439 IonicContact OD1-CZ 2.68Å; D342-R439 IonicContact OD1-NH1 3.7Å; D342-R439 IonicContact OD1-NH2 3.69Å; D342-R439 PolarHBondContact OD1-NH2 2.93Å; D342-R439 IonicContact OD2-CZ 2.71Å; D342-R439 IonicContact OD2-NH1 2.68Å; D342-R439 PolarHBondContact OD2-NH1 3.36Å; D342-R439 IonicContact OD2-NH2 2.68Å; D342-R439 PolarHBondContact OD2-NH2 3.18Å; D342-M486 HydrophobicContact CB-CE 4.17Å; D342-I487 HydrophobicContact CB-CB 3.95Å; D342-I487 HydrophobicContact CB-CG2 3.92Å; D342-P488 HydrophobicContact CB-CG 4.11Å
343Q96.2Very high95Very high52 Ų5234.8 Ų34.824%0.24319%0.192CC..EExtended strand (participates in β ladder)trans-100.2132.8177.7-73.8175.9-6.100112.6L339 A340 R439L339-Q343 HydrophobicContact CB-CB 4.16Å; L339-Q343 HydrophobicContact CD2-CB 4.36Å; A340-Q343 HydrophobicContact CB-CG 4.02Å; A340-Q343 VanDerWaalsContact N-OE1 3.14Å; A340-Q343 PolarHBondContact O-N 3.42Å; Q343-R439 WeakPolarHBondContact CA-O 3.05Å
344L96.8Very high94.9Very high0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-108117.7170.8-172.671.5000110.2V346 V422 F424 H438 R439 K441 F448 L469L344-V346 HydrophobicContact CD2-CG2 3.99Å; L344-V346 HydrophobicContact CG-CG2 4.13Å; L344-V346 PolarHBondContact O-N 2.93Å; L344-V422 HydrophobicContact CD2-CG2 4.05Å; L344-F424 HydrophobicContact CD1-CD1 3.68Å; L344-F424 HydrophobicContact CD1-CD2 4.29Å; L344-F424 HydrophobicContact CD1-CE1 3.46Å; L344-F424 VanDerWaalsContact CD1-CE1 3.46Å; L344-F424 HydrophobicContact CD1-CE2 4.13Å; L344-F424 HydrophobicContact CD1-CG 4.1Å; L344-F424 HydrophobicContact CD1-CZ 3.7Å; L344-F424 HydrophobicContact CD2-CB 4.32Å; L344-F424 HydrophobicContact CD2-CD1 4.32Å; L344-F424 HydrophobicContact CD2-CD2 3.66Å; L344-F424 HydrophobicContact CD2-CE2 3.94Å; L344-F424 HydrophobicContact CD2-CG 3.87Å; L344-F424 HydrophobicContact CD2-CZ 4.37Å; L344-H438 HydrophobicContact CB-CB 3.68Å; L344-R439 PolarHBondContact N-O 3.15Å; L344-K441 PolarHBondContact O-N 3.26Å; L344-F448 HydrophobicContact CD1-CB 4.48Å; L344-F448 HydrophobicContact CD2-CD1 4.42Å; L344-L469 HydrophobicContact CD2-CD1 3.8Å; L344-L469 HydrophobicContact CD2-CG 4.4Å
345G97.3Very high94.8Very high0 Ų033.7 Ų33.70%019%0.186CC..EExtended strand (participates in β ladder)trans-68.9115.4168.100000110.7K441 F448 R449G345-K441 CarbonylContact C-O 3.39Å; G345-K441 VanDerWaalsContact CA-O 3.27Å; G345-K441 WeakPolarHBondContact CA-O 3.38Å; G345-F448 CarbonylContact O-C 3.47Å; G345-F448 WeakPolarHBondContact O-CA 3.45Å; G345-R449 PolarHBondContact N-O 3.28Å; G345-R449 PolarHBondContact O-N 3.17Å
346V97.6Very high94.8Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-111.7129.2-178.3175.70000110.2L344 K348 I350 A351 L416 V440 K441 V442 L443 F448 L469L344-V346 HydrophobicContact CD2-CG2 3.99Å; L344-V346 HydrophobicContact CG-CG2 4.13Å; L344-V346 PolarHBondContact O-N 2.93Å; V346-K348 PolarHBondContact O-N 3.28Å; V346-I350 HydrophobicContact CG1-CB 4.04Å; V346-I350 HydrophobicContact CG1-CG2 3.88Å; V346-A351 HydrophobicContact CG1-CB 4.4Å; V346-L416 HydrophobicContact CG1-CD2 4.28Å; V346-V440 HydrophobicContact CB-CG1 4.02Å; V346-V440 HydrophobicContact CG2-CG1 3.91Å; V346-V440 HydrophobicContact CG2-CG2 4.21Å; V346-K441 PolarHBondContact N-O 3.26Å; V346-V442 WeakPolarHBondContact O-CA 3.5Å; V346-L443 PolarHBondContact O-N 3.07Å; V346-F448 HydrophobicContact CG1-CE1 4.32Å; V346-F448 HydrophobicContact CG2-CD1 4.39Å; V346-F448 HydrophobicContact CG2-CE1 4.25Å; V346-L469 HydrophobicContact CG1-CD1 4.45Å; V346-L469 HydrophobicContact CG2-CD1 3.74Å
347P97.1Very high94.8Very high1 Ų132.9 Ų32.91%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-51.6133.2171.7-33.239000113.7T331 T349 I350 A351 W445 S446 T447T331-P347 HydrophobicContact CG2-CG 4.39Å; P347-T349 PolarHBondContact O-N 2.76Å; P347-T349 VanDerWaalsContact O-N 3.12Å; P347-I350 HydrophobicContact CB-CB 4.27Å; P347-I350 HydrophobicContact CB-CD1 4.16Å; P347-I350 HydrophobicContact CB-CG1 4.12Å; P347-I350 HydrophobicContact CG-CD1 3.94Å; P347-I350 HydrophobicContact CG-CG1 4.46Å; P347-I350 WeakPolarHBondContact O-CA 3.47Å; P347-I350 WeakPolarHBondContact O-CB 3.47Å; P347-I350 PolarHBondContact O-N 3.28Å; P347-A351 PolarHBondContact O-N 2.86Å; P347-W445 VanDerWaalsContact CA-O 3.27Å; P347-W445 WeakPolarHBondContact CA-O 3.45Å; P347-W445 WeakPolarHBondContact CB-O 3.47Å; P347-W445 WeakPolarHBondContact CG-O 3.39Å; P347-S446 VanDerWaalsContact CG-C 3.42Å; P347-S446 WeakPolarHBondContact CG-O 3.25Å; P347-T447 WeakPolarHBondContact CD-O 3.4Å; P347-T447 WeakPolarHBondContact CG-O 3.15Å
348K95.3Very high94.9Very high90 Ų9032.7 Ų32.739%0.39118%0.176SC..Hα-helixtrans-50.2-37.7173.4-171.8-174.1179.1-175.50113V346 I350 A351 Q352 Y379 V442 L443V346-K348 PolarHBondContact O-N 3.28Å; K348-I350 PolarHBondContact O-N 2.76Å; K348-A351 PolarHBondContact O-N 3.24Å; K348-Q352 WeakPolarHBondContact O-CG 3.48Å; K348-Q352 PolarHBondContact O-N 3.36Å; K348-Y379 VanDerWaalsContact CE-CB 3.49Å; K348-Y379 HydrophobicContact CG-CD1 4.46Å; K348-Y379 HydrophobicContact CG-CG 4.34Å; K348-V442 HydrophobicContact CB-CG1 4.13Å; K348-V442 HydrophobicContact CG-CG1 4.43Å; K348-L443 PolarHBondContact N-O 3.22Å
349T94.1Very high95.1Very high94 Ų9431.5 Ų31.558%0.57717%0.169SC*.Hα-helixtrans-64.3-35.1176.649.70000113.4P347 N353P347-T349 PolarHBondContact O-N 2.76Å; P347-T349 VanDerWaalsContact O-N 3.12Å; T349-N353 PolarHBondContact O-N 2.95Å
350I96.2Very high95.1Very high25 Ų2531 Ų3113%0.12817%0.166CC..Hα-helixtrans-75.4-41.3173.5-67.3176.5000109.8A329 T331 V346 P347 K348 Q352 N353 L354 F448A329-I350 HydrophobicContact CB-CD1 4.19Å; A329-I350 HydrophobicContact CB-CG1 4.45Å; A329-I350 HydrophobicContact CB-CG2 3.61Å; T331-I350 HydrophobicContact CG2-CD1 3.95Å; V346-I350 HydrophobicContact CG1-CB 4.04Å; V346-I350 HydrophobicContact CG1-CG2 3.88Å; P347-I350 HydrophobicContact CB-CB 4.27Å; P347-I350 HydrophobicContact CB-CD1 4.16Å; P347-I350 HydrophobicContact CB-CG1 4.12Å; P347-I350 HydrophobicContact CG-CD1 3.94Å; P347-I350 HydrophobicContact CG-CG1 4.46Å; P347-I350 WeakPolarHBondContact O-CA 3.47Å; P347-I350 WeakPolarHBondContact O-CB 3.47Å; P347-I350 PolarHBondContact O-N 3.28Å; K348-I350 PolarHBondContact O-N 2.76Å; I350-Q352 PolarHBondContact O-N 3.35Å; I350-N353 PolarHBondContact O-N 3.07Å; I350-L354 HydrophobicContact CG2-CD1 3.69Å; I350-L354 HydrophobicContact CG2-CG 4.19Å; I350-L354 PolarHBondContact O-N 2.85Å; I350-F448 HydrophobicContact CD1-CE1 3.95Å; I350-F448 HydrophobicContact CD1-CZ 3.91Å
351A95.8Very high95Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-64.3-37.7-179.700000113.6V346 P347 K348 N353 Y379 L416 V442V346-A351 HydrophobicContact CG1-CB 4.4Å; P347-A351 PolarHBondContact O-N 2.86Å; K348-A351 PolarHBondContact O-N 3.24Å; A351-N353 VanDerWaalsContact C-N 3.31Å; A351-Y379 HydrophobicContact CB-CE2 4.32Å; A351-L416 HydrophobicContact CB-CB 4.34Å; A351-L416 PolarHBondContact O-N 2.99Å; A351-L416 VanDerWaalsContact O-N 3.17Å; A351-V442 HydrophobicContact CB-CG1 3.87Å; A351-V442 HydrophobicContact CB-CG2 3.75Å
352Q93.3Very high94.8Very high41 Ų4133.7 Ų33.719%0.19218%0.181CC..Hα-helixtrans-71.7-23.2170.6-71.3-176.4-99.400112.9K348 I350 D376 S377 Y379 K383 H415K348-Q352 WeakPolarHBondContact O-CG 3.48Å; K348-Q352 PolarHBondContact O-N 3.36Å; I350-Q352 PolarHBondContact O-N 3.35Å; Q352-D376 PolarHBondContact NE2-O 3.35Å; Q352-S377 PolarHBondContact NE2-O 2.87Å; Q352-Y379 HydrophobicContact CG-CD2 4.07Å; Q352-Y379 HydrophobicContact CG-CG 4.3Å; Q352-K383 PolarHBondContact O-NZ 2.57Å; Q352-H415 PolarHBondContact O-CD2 3.2Å; Q352-H415 PolarHBondContact O-NE2 3.23Å
353N94.1Very high94.5Very high109 Ų10941 Ų4158%0.58321%0.213SC*.Hα-helixtrans-82.9-45.3-179.4-163.832.3000113T349 I350 A351 K383T349-N353 PolarHBondContact O-N 2.95Å; I350-N353 PolarHBondContact O-N 3.07Å; A351-N353 VanDerWaalsContact C-N 3.31Å; N353-K383 PolarHBondContact O-NZ 3.44Å; N353-K383 PolarHBondContact OD1-NZ 2.6Å
354L95.2Very high94.3Very high12 Ų1239.5 Ų39.56%0.06321%0.206CC..SBendtrans-78.7140-179.1-63.1177.7000111.7A329 I350 L416 L469 L471A329-L354 HydrophobicContact CB-CD1 4.15Å; I350-L354 HydrophobicContact CG2-CD1 3.69Å; I350-L354 HydrophobicContact CG2-CG 4.19Å; I350-L354 PolarHBondContact O-N 2.85Å; L354-L416 HydrophobicContact CD1-CD2 4.32Å; L354-L416 PolarHBondContact O-N 3.03Å; L354-L469 HydrophobicContact CD1-CD2 3.76Å; L354-L471 HydrophobicContact CB-CD2 3.91Å
355T94.8Very high94.1Very high7 Ų741.4 Ų41.44%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-120148.9-178.444.90000114.1K383 E413 R414 L471 Q473T355-K383 HydrophobicContact CG2-CB 3.94Å; T355-K383 HydrophobicContact CG2-CD 3.3Å; T355-K383 HydrophobicContact CG2-CG 3.45Å; T355-K383 VanDerWaalsContact CG2-CG 3.45Å; T355-E413 HydrophobicContact CG2-CB 3.97Å; T355-E413 PolarHBondContact OG1-OE2 3.34Å; T355-R414 CarbonylContact C-O 3.48Å; T355-R414 VanDerWaalsContact CA-O 3.22Å; T355-R414 WeakPolarHBondContact CA-O 3.49Å; T355-L471 WeakPolarHBondContact O-CD2 3.26Å; T355-Q473 PolarHBondContact O-NE2 2.64Å
356V94.1Very high93.9Very high21 Ų2147.8 Ų47.813%0.12725%0.25CC..EExtended strand (participates in β ladder)trans-113121.7168.7-179.40000107.9E358 V412 E413 R414 L416 L471V356-E358 PolarHBondContact O-N 3.3Å; V356-E358 VanDerWaalsContact O-N 3.14Å; V356-V412 VanDerWaalsContact O-O 3.04Å; V356-E413 WeakPolarHBondContact O-CA 3.02Å; V356-R414 HydrophobicContact CB-CG 4.44Å; V356-R414 PolarHBondContact N-O 2.73Å; V356-R414 PolarHBondContact O-N 3.46Å; V356-R414 VanDerWaalsContact O-N 3.15Å; V356-L416 HydrophobicContact CG2-CD1 4.33Å; V356-L471 HydrophobicContact CG2-CD1 4.02Å; V356-L471 HydrophobicContact CG2-CD2 3.96Å; V356-L471 HydrophobicContact CG2-CG 4.35Å
357P93.8Very high93.6Very high36 Ų3652.5 Ų52.523%0.23427%0.272CS..EExtended strand (participates in β ladder)trans-80.789.6177.431.7-33.1000110.3E413 Q473P357-E413 HydrophobicContact CB-CG 4.28Å; P357-Q473 VanDerWaalsContact CD-OE1 3.31Å; P357-Q473 WeakPolarHBondContact CG-O 3.46Å
358E93.7Very high93.5Very high38 Ų3852.4 Ų52.418%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-87.5132.4180-157.9168.9122.400110.7V356 N364 L368 K411 V412 R414 R417V356-E358 PolarHBondContact O-N 3.3Å; V356-E358 VanDerWaalsContact O-N 3.14Å; E358-N364 PolarHBondContact OE1-ND2 3.37Å; E358-L368 HydrophobicContact CB-CD1 4.49Å; E358-L368 HydrophobicContact CB-CD2 4.24Å; E358-K411 CarbonylContact O-C 3.12Å; E358-K411 WeakPolarHBondContact O-CA 3.25Å; E358-V412 PolarHBondContact N-O 3.4Å; E358-V412 PolarHBondContact O-N 3.39Å; E358-R414 IonicContact OE2-CZ 3.17Å; E358-R414 VanDerWaalsContact OE2-CZ 3.32Å; E358-R414 IonicContact OE2-NE 2.74Å; E358-R414 PolarHBondContact OE2-NE 2.68Å; E358-R414 IonicContact OE2-NH2 2.7Å; E358-R414 PolarHBondContact OE2-NH2 2.98Å; E358-R417 IonicContact OE2-NH2 3.03Å
359I94.2Very high93.4Very high85 Ų8549.9 Ų49.944%0.43626%0.261SS..EExtended strand (participates in β ladder)trans-77.3137.3178.8-56.9174.6000109.1N364 K411I359-N364 PolarHBondContact O-ND2 3.44Å; I359-N364 PolarHBondContact O-OD1 2.94Å; I359-K411 HydrophobicContact CG1-CD 4.41Å; I359-K411 HydrophobicContact CG1-CG 4.2Å
360V93.9Very high93.3Very high1 Ų147.8 Ų47.81%0.00625%0.25CS..PPolyproline II helixtrans-75.2122.2173.3-178.10000109.5I365 L368 L406 Q407 G409 Y410 V412V360-I365 HydrophobicContact CG1-CB 3.93Å; V360-I365 HydrophobicContact CG1-CD1 4.07Å; V360-I365 HydrophobicContact CG1-CG1 3.84Å; V360-L368 HydrophobicContact CB-CD1 4.4Å; V360-L368 HydrophobicContact CG2-CD1 3.78Å; V360-L406 HydrophobicContact CG1-CB 4.32Å; V360-L406 HydrophobicContact CG2-CB 4.26Å; V360-L406 HydrophobicContact CG2-CD1 4.06Å; V360-L406 HydrophobicContact CG2-CD2 4.32Å; V360-L406 HydrophobicContact CG2-CG 4.46Å; V360-Q407 WeakPolarHBondContact CB-O 3.15Å; V360-Q407 WeakPolarHBondContact CG1-O 3.41Å; V360-G409 PolarHBondContact O-N 3.05Å; V360-Y410 WeakPolarHBondContact CG2-O 3.33Å; V360-Y410 PolarHBondContact N-O 3.45Å; V360-V412 HydrophobicContact CG2-CG2 4.01Å
361T92.2Very high93.2Very high45 Ų4547.1 Ų47.128%0.27625%0.247SC..  trans-129.9165179.368.20000109.3F363 N364 I365T361-F363 PolarHBondContact O-N 2.96Å; T361-F363 PolarHBondContact OG1-N 3.48Å; T361-N364 PolarHBondContact N-OD1 3.35Å; T361-N364 PolarHBondContact O-N 3.45Å; T361-N364 PolarHBondContact O-OD1 3.01Å; T361-N364 PolarHBondContact OG1-N 2.84Å; T361-N364 PolarHBondContact OG1-OD1 2.83Å; T361-I365 WeakPolarHBondContact O-CB 3.38Å; T361-I365 PolarHBondContact O-N 3.47Å; T361-I365 VanDerWaalsContact O-N 3.09Å
362P89.1Confident93Very high39 Ų3947.2 Ų47.225%0.25325%0.247SC..THydrogen-bonded Turntrans-53.3-24.4172.4-27.335.4000114.7I408 A1430P362-I408 HydrophobicContact CG-CD1 3.95Å; P362-A1430 HydrophobicContact CB-CB 3.8Å; P362-A1430 WeakPolarHBondContact O-CB 3.42Å
363F89.9Confident92.9Very high166 Ų16650.2 Ų50.273%0.72827%0.265SS*.THydrogen-bonded Turntrans-87.4-23.6-175.5-52.8-72000114.6T361T361-F363 PolarHBondContact O-N 2.96Å; T361-F363 PolarHBondContact OG1-N 3.48Å
364N92.3Very high92.7Very high19 Ų1949.5 Ų49.510%0.10225%0.254CS..THydrogen-bonded Turntrans-123.70.5-17569.2-11.8000114.2E358 I359 T361 D366 Q367 L368E358-N364 PolarHBondContact OE1-ND2 3.37Å; I359-N364 PolarHBondContact O-ND2 3.44Å; I359-N364 PolarHBondContact O-OD1 2.94Å; T361-N364 PolarHBondContact N-OD1 3.35Å; T361-N364 PolarHBondContact O-N 3.45Å; T361-N364 PolarHBondContact O-OD1 3.01Å; T361-N364 PolarHBondContact OG1-N 2.84Å; T361-N364 PolarHBondContact OG1-OD1 2.83Å; N364-D366 PolarHBondContact O-N 3.05Å; N364-Q367 PolarHBondContact O-N 2.91Å; N364-Q367 VanDerWaalsContact O-N 3.15Å; N364-L368 HydrophobicContact CB-CD1 4.5Å; N364-L368 HydrophobicContact CB-CG 4.38Å; N364-L368 WeakPolarHBondContact ND2-CD1 3.47Å; N364-L368 WeakPolarHBondContact O-CB 3.3Å; N364-L368 WeakPolarHBondContact O-CG 3.26Å; N364-L368 PolarHBondContact O-N 3.07Å
365I92.4Very high92.4Very high41 Ų4149.5 Ų49.521%0.2126%0.257CS..Hα-helixtrans-53.3-48.7-179-172164.9000112.9V360 T361 Q367 L368 Q369 L406V360-I365 HydrophobicContact CG1-CB 3.93Å; V360-I365 HydrophobicContact CG1-CD1 4.07Å; V360-I365 HydrophobicContact CG1-CG1 3.84Å; T361-I365 WeakPolarHBondContact O-CB 3.38Å; T361-I365 PolarHBondContact O-N 3.47Å; T361-I365 VanDerWaalsContact O-N 3.09Å; I365-Q367 PolarHBondContact O-N 2.58Å; I365-L368 PolarHBondContact O-N 3.43Å; I365-Q369 VanDerWaalsContact O-CB 3.31Å; I365-Q369 WeakPolarHBondContact O-CB 2.99Å; I365-Q369 PolarHBondContact O-N 3.18Å; I365-L406 HydrophobicContact CG1-CB 4.41Å
366D92.1Very high92.2Very high134 Ų13450.4 Ų50.472%0.71726%0.261SS*.Hα-helixtrans-66-38.2179.3-58.8-35.4000112.4N364 S370N364-D366 PolarHBondContact O-N 3.05Å; D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 2.94Å
367Q92.4Very high91.9Very high98 Ų9854.3 Ų54.346%0.45829%0.289SS..Hα-helixtrans-66.8-42.9176.9179.7174.395.500111.2N364 I365 L371N364-Q367 PolarHBondContact O-N 2.91Å; N364-Q367 VanDerWaalsContact O-N 3.15Å; I365-Q367 PolarHBondContact O-N 2.58Å; Q367-L371 WeakPolarHBondContact O-CG 3.46Å; Q367-L371 PolarHBondContact O-N 2.81Å
368L94.5Very high91.7Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-71.6-38178.7-68.4-178000111.6E358 V360 N364 I365 S370 L371 V372 L406 V412E358-L368 HydrophobicContact CB-CD1 4.49Å; E358-L368 HydrophobicContact CB-CD2 4.24Å; V360-L368 HydrophobicContact CB-CD1 4.4Å; V360-L368 HydrophobicContact CG2-CD1 3.78Å; N364-L368 HydrophobicContact CB-CD1 4.5Å; N364-L368 HydrophobicContact CB-CG 4.38Å; N364-L368 WeakPolarHBondContact ND2-CD1 3.47Å; N364-L368 WeakPolarHBondContact O-CB 3.3Å; N364-L368 WeakPolarHBondContact O-CG 3.26Å; N364-L368 PolarHBondContact O-N 3.07Å; I365-L368 PolarHBondContact O-N 3.43Å; L368-S370 VanDerWaalsContact C-N 3.35Å; L368-L371 HydrophobicContact CD2-CD1 4.27Å; L368-L371 PolarHBondContact O-N 2.73Å; L368-L371 VanDerWaalsContact O-N 3.12Å; L368-V372 WeakPolarHBondContact O-CG2 3.41Å; L368-V372 PolarHBondContact O-N 2.76Å; L368-L406 HydrophobicContact CB-CD1 3.63Å; L368-V412 HydrophobicContact CB-CG2 4.24Å; L368-V412 HydrophobicContact CD1-CB 4.35Å; L368-V412 HydrophobicContact CD1-CG2 4.29Å; L368-V412 HydrophobicContact CD2-CB 4.28Å; L368-V412 HydrophobicContact CD2-CG1 4.44Å
369Q92.8Very high91.6Very high37 Ų3759.6 Ų59.617%0.17331%0.308CS..Hα-helixtrans-58.7-49.2173-170.564.96900109.5I365 L371 V372 D373 L404 L406I365-Q369 VanDerWaalsContact O-CB 3.31Å; I365-Q369 WeakPolarHBondContact O-CB 2.99Å; I365-Q369 PolarHBondContact O-N 3.18Å; Q369-L371 PolarHBondContact O-N 2.76Å; Q369-L371 VanDerWaalsContact O-N 3.13Å; Q369-V372 WeakPolarHBondContact O-CA 3.47Å; Q369-V372 WeakPolarHBondContact O-CB 3.24Å; Q369-V372 PolarHBondContact O-N 3.12Å; Q369-D373 PolarHBondContact NE2-OD1 3.1Å; Q369-D373 PolarHBondContact O-N 3.17Å; Q369-L404 PolarHBondContact NE2-O 2.98Å; Q369-L404 PolarHBondContact OE1-O 2.98Å; Q369-L406 HydrophobicContact CB-CD1 4.28Å; Q369-L406 VanDerWaalsContact OE1-N 3.08Å
370S92.9Very high91.5Very high50 Ų5057.8 Ų57.835%0.3530%0.302SS..Hα-helixtrans-59.4-27.1176.1-170.70000114.4D366 L368 R374D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 2.94Å; L368-S370 VanDerWaalsContact C-N 3.35Å; S370-R374 PolarHBondContact O-NE 3.49Å; S370-R374 PolarHBondContact O-NH2 2.84Å; S370-R374 PolarHBondContact OG-NH2 2.8Å
371L94.2Very high91.5Very high11 Ų1157.7 Ų57.76%0.05830%0.302CS..Hα-helixtrans-81.3-35.1173.5-68.5172000112.4Q367 L368 Q369 R374 G375 P380 G381 A382 R414Q367-L371 WeakPolarHBondContact O-CG 3.46Å; Q367-L371 PolarHBondContact O-N 2.81Å; L368-L371 HydrophobicContact CD2-CD1 4.27Å; L368-L371 PolarHBondContact O-N 2.73Å; L368-L371 VanDerWaalsContact O-N 3.12Å; Q369-L371 PolarHBondContact O-N 2.76Å; Q369-L371 VanDerWaalsContact O-N 3.13Å; L371-R374 PolarHBondContact O-N 2.64Å; L371-G375 PolarHBondContact O-N 3.41Å; L371-P380 HydrophobicContact CD2-CB 3.93Å; L371-P380 HydrophobicContact CD2-CG 4.22Å; L371-P380 VanDerWaalsContact CD2-O 3.32Å; L371-P380 WeakPolarHBondContact CD2-O 3.49Å; L371-G381 CarbonylContact O-C 3.46Å; L371-G381 WeakPolarHBondContact O-CA 3.48Å; L371-A382 HydrophobicContact CB-CB 4.47Å; L371-A382 PolarHBondContact O-N 3.29Å; L371-R414 HydrophobicContact CD1-CB 4.04Å
372V92.2Very high91.6Very high2 Ų255.6 Ų55.61%0.01229%0.289CS..Hα-helixtrans-65.4-44.7173.9160.80000111.1L368 Q369 R374 G375 A382 I385 L395 L404 L406 V412L368-V372 WeakPolarHBondContact O-CG2 3.41Å; L368-V372 PolarHBondContact O-N 2.76Å; Q369-V372 WeakPolarHBondContact O-CA 3.47Å; Q369-V372 WeakPolarHBondContact O-CB 3.24Å; Q369-V372 PolarHBondContact O-N 3.12Å; V372-R374 PolarHBondContact O-N 2.89Å; V372-G375 PolarHBondContact O-N 3.37Å; V372-A382 HydrophobicContact CG2-CB 4.41Å; V372-I385 HydrophobicContact CG1-CD1 3.83Å; V372-I385 HydrophobicContact CG2-CD1 4.17Å; V372-I385 HydrophobicContact CG2-CG1 4.01Å; V372-L395 HydrophobicContact CG1-CD1 4.48Å; V372-L395 HydrophobicContact CG1-CD2 4.44Å; V372-L395 HydrophobicContact CG2-CD1 4.25Å; V372-L404 HydrophobicContact CG1-CB 4.16Å; V372-L404 HydrophobicContact CG1-CD2 3.58Å; V372-L404 HydrophobicContact CG1-CG 4.49Å; V372-L406 HydrophobicContact CG2-CD1 4.22Å; V372-L406 HydrophobicContact CG2-CD2 4.26Å; V372-V412 HydrophobicContact CG2-CG1 3.76Å; V372-V412 HydrophobicContact CG2-CG2 4.05Å
373D89.9Confident91.8Very high103 Ų10354.3 Ų54.355%0.55128%0.279SS*.THydrogen-bonded Turntrans-62.5-23.1178.2-56.7-21.6000112.5Q369Q369-D373 PolarHBondContact NE2-OD1 3.1Å; Q369-D373 PolarHBondContact O-N 3.17Å
374R90.3Very high91.9Very high94 Ų9448.1 Ų48.136%0.35525%0.251SS..THydrogen-bonded Turntrans-85.7-18.7174.7-85177.4-88.3174.3-18.1114.4S370 L371 V372 H378 P380S370-R374 PolarHBondContact O-NE 3.49Å; S370-R374 PolarHBondContact O-NH2 2.84Å; S370-R374 PolarHBondContact OG-NH2 2.8Å; L371-R374 PolarHBondContact O-N 2.64Å; V372-R374 PolarHBondContact O-N 2.89Å; R374-H378 HydrophobicContact CB-CB 4.3Å; R374-P380 WeakPolarHBondContact CD-O 3.43Å; R374-P380 PolarHBondContact NH1-O 2.67Å
375G89.5Confident92Very high12 Ų1247.2 Ų47.212%0.12425%0.247CC..THydrogen-bonded Turntrans58.2-160.4-179.100000114.7L371 V372 G381 A382L371-G375 PolarHBondContact O-N 3.41Å; V372-G375 PolarHBondContact O-N 3.37Å; G375-G381 WeakPolarHBondContact O-CA 3.43Å; G375-A382 CarbonylContact C-O 3.45Å; G375-A382 PolarHBondContact O-N 3Å
376D89.7Confident92Very high26 Ų2647.4 Ų47.414%0.13925%0.248CC..THydrogen-bonded Turntrans-81.3-29.2-175.8-167.323.7000112.7Q352 H378 A382 K383 R396 H415Q352-D376 PolarHBondContact NE2-O 3.35Å; D376-H378 VanDerWaalsContact C-N 3.33Å; D376-H378 PolarHBondContact O-N 2.92Å; D376-A382 WeakPolarHBondContact CA-O 3.32Å; D376-A382 PolarHBondContact N-O 3.41Å; D376-K383 VanDerWaalsContact CG-CE 3.49Å; D376-K383 WeakPolarHBondContact OD1-CE 3.13Å; D376-K383 WeakPolarHBondContact OD1-CG 3.18Å; D376-K383 IonicContact OD1-NZ 3.23Å; D376-K383 VanDerWaalsContact OD2-CE 3.24Å; D376-K383 WeakPolarHBondContact OD2-CE 3.37Å; D376-K383 IonicContact OD2-NZ 3.82Å; D376-R396 HydrophobicContact CB-CG 3.75Å; D376-R396 VanDerWaalsContact OD2-CD 3.25Å; D376-R396 WeakPolarHBondContact OD2-CD 3.07Å; D376-R396 WeakPolarHBondContact OD2-CG 3.38Å; D376-H415 PolarHBondContact O-CE1 3.34Å; D376-H415 VanDerWaalsContact O-CE1 3.24Å; D376-H415 IonicContact OD1-CD2 2.73Å; D376-H415 IonicContact OD1-CE1 3.97Å; D376-H415 IonicContact OD1-NE2 3.15Å; D376-H415 PolarHBondContact OD1-NE2 3.23Å
377S87.5Confident91.9Very high103 Ų10344 Ų4472%0.7223%0.225SC*.THydrogen-bonded Turntrans-65.5-32.5-174.3-57.50000113.6Q352Q352-S377 PolarHBondContact NE2-O 2.87Å
378H89.2Confident91.7Very high121 Ų12144.5 Ų44.556%0.5623%0.23SC*.SBendtrans-107.3133.9-176.1-63.3-80.1000111.3R374 D376 P380 G381 H415R374-H378 HydrophobicContact CB-CB 4.3Å; D376-H378 VanDerWaalsContact C-N 3.33Å; D376-H378 PolarHBondContact O-N 2.92Å; H378-P380 CarbonylContact O-C 3.6Å; H378-G381 WeakPolarHBondContact O-CA 3.34Å; H378-G381 PolarHBondContact O-N 2.96Å; H378-H415 PolarHBondContact O-CE1 3.22Å
379Y91.8Very high91.4Very high64 Ų6450.7 Ų50.725%0.25126%0.264SS..SBendtrans-101.3136174.7173.2-95.3000111.1K348 A351 Q352 H415 L416 V442K348-Y379 VanDerWaalsContact CE-CB 3.49Å; K348-Y379 HydrophobicContact CG-CD1 4.46Å; K348-Y379 HydrophobicContact CG-CG 4.34Å; A351-Y379 HydrophobicContact CB-CE2 4.32Å; Q352-Y379 HydrophobicContact CG-CD2 4.07Å; Q352-Y379 HydrophobicContact CG-CG 4.3Å; Y379-H415 HydrophobicContact CD2-CB 4.4Å; Y379-L416 WeakPolarHBondContact CE2-O 3.42Å; Y379-V442 HydrophobicContact CE1-CB 4.41Å; Y379-V442 HydrophobicContact CE1-CG1 4.09Å; Y379-V442 HydrophobicContact CE2-CG1 4.39Å; Y379-V442 HydrophobicContact CE2-CG2 4.39Å; Y379-V442 VanDerWaalsContact OH-CG2 3.28Å; Y379-V442 WeakPolarHBondContact OH-CG2 3.41Å
380P93.4Very high91Very high47 Ų4751.4 Ų51.431%0.30528%0.281SS..SBendcis-77.1142.7-12.330-30.7000110.9L371 R374 H378L371-P380 HydrophobicContact CD2-CB 3.93Å; L371-P380 HydrophobicContact CD2-CG 4.22Å; L371-P380 VanDerWaalsContact CD2-O 3.32Å; L371-P380 WeakPolarHBondContact CD2-O 3.49Å; R374-P380 WeakPolarHBondContact CD-O 3.43Å; R374-P380 PolarHBondContact NH1-O 2.67Å; H378-P380 CarbonylContact O-C 3.6Å
381G93.9Very high90.7Very high0 Ų051 Ų510%028%0.281CS..  trans-152.2-149.6-179.600000111.4L371 G375 H378 H415L371-G381 CarbonylContact O-C 3.46Å; L371-G381 WeakPolarHBondContact O-CA 3.48Å; G375-G381 WeakPolarHBondContact O-CA 3.43Å; H378-G381 WeakPolarHBondContact O-CA 3.34Å; H378-G381 PolarHBondContact O-N 2.96Å; G381-H415 PolarHBondContact N-ND1 3.22Å; G381-H415 PolarHBondContact O-N 3.1Å
382A93.6Very high90.5Very high0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-148.3156.7-176.400000113.7L371 V372 G375 D376 L395 V412 R414L371-A382 HydrophobicContact CB-CB 4.47Å; L371-A382 PolarHBondContact O-N 3.29Å; V372-A382 HydrophobicContact CG2-CB 4.41Å; G375-A382 CarbonylContact C-O 3.45Å; G375-A382 PolarHBondContact O-N 3Å; D376-A382 WeakPolarHBondContact CA-O 3.32Å; D376-A382 PolarHBondContact N-O 3.41Å; A382-L395 HydrophobicContact CB-CD1 3.82Å; A382-L395 WeakPolarHBondContact O-CD1 3.24Å; A382-V412 HydrophobicContact CB-CG1 3.74Å; A382-R414 HydrophobicContact CB-CB 4.42Å
383K93Very high90.3Very high13 Ų1358 Ų586%0.05731%0.308CS..EExtended strand (participates in β ladder)trans-107.5-38.5-175.7-47.8-166.677.3144.40113.7Q352 N353 T355 D376 L395 E413Q352-K383 PolarHBondContact O-NZ 2.57Å; N353-K383 PolarHBondContact O-NZ 3.44Å; N353-K383 PolarHBondContact OD1-NZ 2.6Å; T355-K383 HydrophobicContact CG2-CB 3.94Å; T355-K383 HydrophobicContact CG2-CD 3.3Å; T355-K383 HydrophobicContact CG2-CG 3.45Å; T355-K383 VanDerWaalsContact CG2-CG 3.45Å; D376-K383 VanDerWaalsContact CG-CE 3.49Å; D376-K383 WeakPolarHBondContact OD1-CE 3.13Å; D376-K383 WeakPolarHBondContact OD1-CG 3.18Å; D376-K383 IonicContact OD1-NZ 3.23Å; D376-K383 VanDerWaalsContact OD2-CE 3.24Å; D376-K383 WeakPolarHBondContact OD2-CE 3.37Å; D376-K383 IonicContact OD2-NZ 3.82Å; K383-L395 WeakPolarHBondContact O-CB 3.26Å; K383-L395 PolarHBondContact O-N 2.85Å; K383-E413 PolarHBondContact N-O 3.12Å
384Y92.6Very high90.3Very high35 Ų3554.8 Ų54.814%0.13729%0.291CS..EExtended strand (participates in β ladder)trans-142.6151.6-177.9-50.7-91.5000112.8R392 I393 D394 R396 E413Y384-R392 HydrophobicContact CD1-CG 3.76Å; Y384-R392 VanDerWaalsContact CD2-NH2 3.32Å; Y384-R392 HydrophobicContact CG-CG 4.02Å; Y384-I393 WeakPolarHBondContact CA-O 3.32Å; Y384-I393 WeakPolarHBondContact CB-O 3.48Å; Y384-D394 HydrophobicContact CD1-CB 3.87Å; Y384-D394 HydrophobicContact CE1-CB 3.77Å; Y384-D394 VanDerWaalsContact CE1-CG 3.5Å; Y384-D394 WeakPolarHBondContact CE1-OD2 3.17Å; Y384-R396 PolarHBondContact OH-NH2 3.11Å; Y384-E413 HydrophobicContact CD2-CB 4.15Å; Y384-E413 HydrophobicContact CD2-CG 4.49Å; Y384-E413 WeakPolarHBondContact CD2-OE2 3.46Å; Y384-E413 PolarHBondContact O-N 2.73Å
385I93.4Very high90.3Very high1 Ų151 Ų511%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-111.4132.7162.9-55.1163.1000107.2V372 R392 I393 L395 L406 Y410 K411V372-I385 HydrophobicContact CG1-CD1 3.83Å; V372-I385 HydrophobicContact CG2-CD1 4.17Å; V372-I385 HydrophobicContact CG2-CG1 4.01Å; I385-R392 CarbonylContact O-C 3.53Å; I385-R392 WeakPolarHBondContact O-CA 3.19Å; I385-I393 HydrophobicContact CB-CB 4.33Å; I385-I393 HydrophobicContact CB-CD1 4.37Å; I385-I393 PolarHBondContact N-O 2.98Å; I385-I393 VanDerWaalsContact N-O 3.1Å; I385-I393 PolarHBondContact O-N 3.39Å; I385-L395 HydrophobicContact CD1-CD2 3.97Å; I385-L395 HydrophobicContact CG1-CD1 4.43Å; I385-L395 HydrophobicContact CG1-CD2 4.23Å; I385-L406 HydrophobicContact CD1-CD2 4.11Å; I385-L406 HydrophobicContact CG1-CD2 4.18Å; I385-L406 HydrophobicContact CG2-CD2 3.95Å; I385-Y410 HydrophobicContact CG2-CD2 4.04Å; I385-K411 CarbonylContact C-O 2.9Å
386I92.3Very high90.1Very high45 Ų4556 Ų5623%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-112.2117.1172.6-50.9172.4000107.5A391 R392 K411I386-A391 WeakPolarHBondContact CA-O 3.45Å; I386-R392 HydrophobicContact CG1-CB 4.43Å; I386-R392 HydrophobicContact CG1-CG 4.11Å; I386-K411 HydrophobicContact CB-CB 4.29Å; I386-K411 PolarHBondContact N-O 2.9Å; I386-K411 PolarHBondContact O-N 2.59Å
387R90.9Very high89.8Confident61 Ų6162.1 Ų62.123%0.2332%0.315CS..  trans-79.9165.5173.3-63.1-169.7173.6142.76.1111.2N389 G390 A391 I393 D403 Y410R387-N389 WeakPolarHBondContact CB-OD1 3.38Å; R387-N389 PolarHBondContact O-N 2.97Å; R387-N389 VanDerWaalsContact O-N 3.14Å; R387-G390 WeakPolarHBondContact O-CA 3.35Å; R387-G390 PolarHBondContact O-N 3.22Å; R387-A391 PolarHBondContact N-O 3.39Å; R387-I393 HydrophobicContact CG-CD1 4.44Å; R387-D403 IonicContact CZ-OD1 2.66Å; R387-D403 IonicContact NH1-OD1 2.75Å; R387-D403 PolarHBondContact NH1-OD1 3.14Å; R387-D403 IonicContact NH2-OD1 3.16Å; R387-D403 PolarHBondContact NH2-OD1 3.28Å; R387-Y410 HydrophobicContact CB-CD1 4.38Å; R387-Y410 HydrophobicContact CB-CE1 4.1Å; R387-Y410 HydrophobicContact CG-CD2 4.15Å; R387-Y410 HydrophobicContact CG-CE1 4.11Å; R387-Y410 HydrophobicContact CG-CE2 3.71Å
388D88.8Confident88.7Confident109 Ų10966 Ų6658%0.58332%0.322SS*.THydrogen-bonded Turntrans-61.3-26.4-177-45.1-57.5000113.5G390 G409 Y410D388-G390 PolarHBondContact O-N 3Å; D388-G409 VanDerWaalsContact OD1-C 3.29Å; D388-Y410 WeakPolarHBondContact OD2-CD1 3.43Å; D388-Y410 VanDerWaalsContact OD2-CE1 3.23Å; D388-Y410 WeakPolarHBondContact OD2-CE1 3.47Å
389N87.1Confident87.6Confident130 Ų13061.9 Ų61.970%0.69531%0.305SS*.THydrogen-bonded Turntrans-77.79172.472.5-8.8000114.1R387 A391R387-N389 WeakPolarHBondContact CB-OD1 3.38Å; R387-N389 PolarHBondContact O-N 2.97Å; R387-N389 VanDerWaalsContact O-N 3.14Å; N389-A391 VanDerWaalsContact C-N 3.27Å; N389-A391 PolarHBondContact O-N 2.8Å; N389-A391 WeakPolarHBondContact OD1-CB 3.45Å; N389-A391 PolarHBondContact OD1-N 2.96Å
390G84.9Confident86.7Confident53 Ų5365.9 Ų65.955%0.54632%0.324SS..  trans770.3-178.400000115.3R387 D388 R392R387-G390 WeakPolarHBondContact O-CA 3.35Å; R387-G390 PolarHBondContact O-N 3.22Å; D388-G390 PolarHBondContact O-N 3Å; G390-R392 PolarHBondContact O-N 3.38Å
391A86.6Confident85.7Confident41 Ų4167.9 Ų67.934%0.33934%0.344SS..  trans-68.5117.1179.900000111.2I386 R387 N389I386-A391 WeakPolarHBondContact CA-O 3.45Å; R387-A391 PolarHBondContact N-O 3.39Å; N389-A391 VanDerWaalsContact C-N 3.27Å; N389-A391 PolarHBondContact O-N 2.8Å; N389-A391 WeakPolarHBondContact OD1-CB 3.45Å; N389-A391 PolarHBondContact OD1-N 2.96Å
392R89.2Confident84.7Confident132 Ų13272 Ų7250%0.49837%0.373SS..EExtended strand (participates in β ladder)trans-96.9112.5179.5-169.7178.9-167.3-148.412.1110.9Y384 I385 I386 G390 E413Y384-R392 HydrophobicContact CD1-CG 3.76Å; Y384-R392 VanDerWaalsContact CD2-NH2 3.32Å; Y384-R392 HydrophobicContact CG-CG 4.02Å; I385-R392 CarbonylContact O-C 3.53Å; I385-R392 WeakPolarHBondContact O-CA 3.19Å; I386-R392 HydrophobicContact CG1-CB 4.43Å; I386-R392 HydrophobicContact CG1-CG 4.11Å; G390-R392 PolarHBondContact O-N 3.38Å; R392-E413 IonicContact CZ-OE1 2.82Å; R392-E413 IonicContact CZ-OE2 2.74Å; R392-E413 IonicContact NE-OE1 3.54Å; R392-E413 PolarHBondContact NE-OE1 3.07Å; R392-E413 IonicContact NH2-OE1 3.2Å; R392-E413 PolarHBondContact NH2-OE1 2.89Å; R392-E413 IonicContact NH2-OE2 3.87Å; R392-E413 PolarHBondContact NH2-OE2 3.35Å
393I89.7Confident83.9Confident28 Ų2873.8 Ų73.814%0.14438%0.383CS..EExtended strand (participates in β ladder)trans-91.1129.9177.9-56.6167.3000107.8Y384 I385 R387 P399 D403Y384-I393 WeakPolarHBondContact CA-O 3.32Å; Y384-I393 WeakPolarHBondContact CB-O 3.48Å; I385-I393 HydrophobicContact CB-CB 4.33Å; I385-I393 HydrophobicContact CB-CD1 4.37Å; I385-I393 PolarHBondContact N-O 2.98Å; I385-I393 VanDerWaalsContact N-O 3.1Å; I385-I393 PolarHBondContact O-N 3.39Å; R387-I393 HydrophobicContact CG-CD1 4.44Å; I393-P399 HydrophobicContact CG2-CB 4.06Å; I393-D403 HydrophobicContact CD1-CB 4.26Å
394D90Very high83.5Confident35 Ų3575.2 Ų75.219%0.18739%0.391CS..EExtended strand (participates in β ladder)trans-100110.7-178.8-172.8-27.9000110.4Y384 R396 Y397Y384-D394 HydrophobicContact CD1-CB 3.87Å; Y384-D394 HydrophobicContact CE1-CB 3.77Å; Y384-D394 VanDerWaalsContact CE1-CG 3.5Å; Y384-D394 WeakPolarHBondContact CE1-OD2 3.17Å; D394-R396 PolarHBondContact O-N 3.45Å; D394-R396 VanDerWaalsContact O-N 3.12Å; D394-R396 VanDerWaalsContact OD1-CB 3.29Å; D394-R396 WeakPolarHBondContact OD1-CB 3.48Å; D394-R396 WeakPolarHBondContact OD1-CG 3.5Å; D394-R396 IonicContact OD1-CZ 3.68Å; D394-R396 PolarHBondContact OD1-N 3.16Å; D394-R396 VanDerWaalsContact OD1-N 3.12Å; D394-R396 IonicContact OD1-NE 2.93Å; D394-R396 PolarHBondContact OD1-NE 2.99Å; D394-R396 IonicContact OD1-NH2 3.77Å; D394-R396 IonicContact OD2-CZ 2.65Å; D394-R396 IonicContact OD2-NE 3Å; D394-R396 PolarHBondContact OD2-NE 3.38Å; D394-R396 IonicContact OD2-NH2 3.66Å; D394-R396 PolarHBondContact OD2-NH2 3.06Å; D394-Y397 HydrophobicContact CB-CD2 4.04Å; D394-Y397 PolarHBondContact O-N 3Å; D394-Y397 WeakPolarHBondContact OD2-CE2 3.19Å
395L89.1Confident83.2Confident15 Ų1579.2 Ų79.28%0.07941%0.41CS..THydrogen-bonded Turntrans-70.7-6.7-172.3-61.5177.8000113.5V372 A382 K383 I385 P399 L404V372-L395 HydrophobicContact CG1-CD1 4.48Å; V372-L395 HydrophobicContact CG1-CD2 4.44Å; V372-L395 HydrophobicContact CG2-CD1 4.25Å; A382-L395 HydrophobicContact CB-CD1 3.82Å; A382-L395 WeakPolarHBondContact O-CD1 3.24Å; K383-L395 WeakPolarHBondContact O-CB 3.26Å; K383-L395 PolarHBondContact O-N 2.85Å; I385-L395 HydrophobicContact CD1-CD2 3.97Å; I385-L395 HydrophobicContact CG1-CD1 4.43Å; I385-L395 HydrophobicContact CG1-CD2 4.23Å; L395-P399 HydrophobicContact CD2-CG 4Å; L395-L404 HydrophobicContact CD2-CD2 3.77Å
396R85.8Confident83.1Confident116 Ų11679.3 Ų79.344%0.43841%0.411SS..THydrogen-bonded Turntrans-77.5-22.7174.3-59174.1-65.8-176.7-1.5113.3D376 Y384 D394D376-R396 HydrophobicContact CB-CG 3.75Å; D376-R396 VanDerWaalsContact OD2-CD 3.25Å; D376-R396 WeakPolarHBondContact OD2-CD 3.07Å; D376-R396 WeakPolarHBondContact OD2-CG 3.38Å; Y384-R396 PolarHBondContact OH-NH2 3.11Å; D394-R396 PolarHBondContact O-N 3.45Å; D394-R396 VanDerWaalsContact O-N 3.12Å; D394-R396 VanDerWaalsContact OD1-CB 3.29Å; D394-R396 WeakPolarHBondContact OD1-CB 3.48Å; D394-R396 WeakPolarHBondContact OD1-CG 3.5Å; D394-R396 IonicContact OD1-CZ 3.68Å; D394-R396 PolarHBondContact OD1-N 3.16Å; D394-R396 VanDerWaalsContact OD1-N 3.12Å; D394-R396 IonicContact OD1-NE 2.93Å; D394-R396 PolarHBondContact OD1-NE 2.99Å; D394-R396 IonicContact OD1-NH2 3.77Å; D394-R396 IonicContact OD2-CZ 2.65Å; D394-R396 IonicContact OD2-NE 3Å; D394-R396 PolarHBondContact OD2-NE 3.38Å; D394-R396 IonicContact OD2-NH2 3.66Å; D394-R396 PolarHBondContact OD2-NH2 3.06Å
397Y82.2Confident83Confident155 Ų15581.8 Ų81.861%0.60842%0.422SS*.SBendtrans-112.279-176.6-57.2-80000110.1D394D394-Y397 HydrophobicContact CB-CD2 4.04Å; D394-Y397 PolarHBondContact O-N 3Å; D394-Y397 WeakPolarHBondContact OD2-CE2 3.19Å
398H64.9Low83Confident186 Ų18684 Ų8486%0.86144%0.437SS*.  trans12.176.4175.1-66.6-64.8000115.1
399P66.6Low83.1Confident34 Ų3480.2 Ų80.222%0.22142%0.423CS..  trans-61.3155.817428.4-37.2000110.1I393 L395 D403 L404I393-P399 HydrophobicContact CG2-CB 4.06Å; L395-P399 HydrophobicContact CD2-CG 4Å; P399-D403 HydrophobicContact CB-CB 4.23Å; P399-L404 HydrophobicContact CB-CD2 4.38Å; P399-L404 HydrophobicContact CG-CD2 3.56Å; P399-L404 HydrophobicContact CG-CG 4.06Å
400K73.1Confident83.4Confident148 Ų14875 Ų7564%0.64339%0.394SS*.  trans-64.9151.8172.4-57.2174.2-177.5173.30109S402 D403 L404K400-S402 WeakPolarHBondContact CB-OG 3Å; K400-S402 PolarHBondContact O-N 3.12Å; K400-S402 VanDerWaalsContact O-N 3.17Å; K400-D403 HydrophobicContact CB-CB 4.43Å; K400-D403 WeakPolarHBondContact CB-OD2 3.39Å; K400-D403 WeakPolarHBondContact O-CA 3.48Å; K400-D403 WeakPolarHBondContact O-CB 3.49Å; K400-D403 PolarHBondContact O-N 2.98Å; K400-L404 PolarHBondContact O-N 3.01Å
401A72.1Confident83.8Confident88 Ų8877 Ų7773%0.72739%0.388SS*.Hα-helixtrans-55.9-34.517400000112.4D403 L404A401-D403 PolarHBondContact O-N 3.26Å; A401-L404 PolarHBondContact O-N 3.29Å
402S73.2Confident84.2Confident86 Ų8675 Ų7560%0.60137%0.372SS*.Hα-helixtrans-63.6-22.7172.558.60000114.5K400K400-S402 WeakPolarHBondContact CB-OG 3Å; K400-S402 PolarHBondContact O-N 3.12Å; K400-S402 VanDerWaalsContact O-N 3.17Å
403D77.1Confident84.4Confident38 Ų3869.2 Ų69.220%0.20335%0.35CS..Hα-helixtrans-91.1-12.8-177.6-69.5-46000113.4R387 I393 P399 K400 A401R387-D403 IonicContact CZ-OD1 2.66Å; R387-D403 IonicContact NH1-OD1 2.75Å; R387-D403 PolarHBondContact NH1-OD1 3.14Å; R387-D403 IonicContact NH2-OD1 3.16Å; R387-D403 PolarHBondContact NH2-OD1 3.28Å; I393-D403 HydrophobicContact CD1-CB 4.26Å; P399-D403 HydrophobicContact CB-CB 4.23Å; K400-D403 HydrophobicContact CB-CB 4.43Å; K400-D403 WeakPolarHBondContact CB-OD2 3.39Å; K400-D403 WeakPolarHBondContact O-CA 3.48Å; K400-D403 WeakPolarHBondContact O-CB 3.49Å; K400-D403 PolarHBondContact O-N 2.98Å; A401-D403 PolarHBondContact O-N 3.26Å
404L82.8Confident84.7Confident43 Ų4368 Ų6823%0.22534%0.344CS..Hα-helixtrans-83.7-20.8176.9-67.6171.9000113.7Q369 V372 L395 P399 K400 A401 L406Q369-L404 PolarHBondContact NE2-O 2.98Å; Q369-L404 PolarHBondContact OE1-O 2.98Å; V372-L404 HydrophobicContact CG1-CB 4.16Å; V372-L404 HydrophobicContact CG1-CD2 3.58Å; V372-L404 HydrophobicContact CG1-CG 4.49Å; L395-L404 HydrophobicContact CD2-CD2 3.77Å; P399-L404 HydrophobicContact CB-CD2 4.38Å; P399-L404 HydrophobicContact CG-CD2 3.56Å; P399-L404 HydrophobicContact CG-CG 4.06Å; K400-L404 PolarHBondContact O-N 3.01Å; A401-L404 PolarHBondContact O-N 3.29Å; L404-L406 PolarHBondContact O-N 3.3Å
405H87Confident85Confident120 Ų12066.5 Ų66.556%0.55634%0.336SS*.  trans-70.8121.8-177.8179.944000111.3
406L90.9Very high85.2Confident2 Ų265.8 Ų65.81%0.0133%0.332CS..  trans-83.7144-179.7-63.1179.7000112.8V360 I365 L368 Q369 V372 I385 L404 Y410 V412V360-L406 HydrophobicContact CG1-CB 4.32Å; V360-L406 HydrophobicContact CG2-CB 4.26Å; V360-L406 HydrophobicContact CG2-CD1 4.06Å; V360-L406 HydrophobicContact CG2-CD2 4.32Å; V360-L406 HydrophobicContact CG2-CG 4.46Å; I365-L406 HydrophobicContact CG1-CB 4.41Å; L368-L406 HydrophobicContact CB-CD1 3.63Å; Q369-L406 HydrophobicContact CB-CD1 4.28Å; Q369-L406 VanDerWaalsContact OE1-N 3.08Å; V372-L406 HydrophobicContact CG2-CD1 4.22Å; V372-L406 HydrophobicContact CG2-CD2 4.26Å; I385-L406 HydrophobicContact CD1-CD2 4.11Å; I385-L406 HydrophobicContact CG1-CD2 4.18Å; I385-L406 HydrophobicContact CG2-CD2 3.95Å; L404-L406 PolarHBondContact O-N 3.3Å; L406-Y410 HydrophobicContact CD2-CD2 4.46Å; L406-V412 HydrophobicContact CD1-CG2 3.78Å; L406-V412 HydrophobicContact CD2-CG2 3.61Å; L406-V412 HydrophobicContact CG-CG2 4.37Å
407Q90.6Very high85.6Confident98 Ų9863.9 Ų63.946%0.45832%0.324SS..  trans-118.9151.2169.9-60.2-177.1-25.900109.5V360 G409 Y410V360-Q407 WeakPolarHBondContact CB-O 3.15Å; V360-Q407 WeakPolarHBondContact CG1-O 3.41Å; Q407-G409 PolarHBondContact O-N 3.01Å; Q407-Y410 HydrophobicContact CB-CD1 4.04Å; Q407-Y410 HydrophobicContact CB-CD2 4.28Å; Q407-Y410 HydrophobicContact CB-CE1 3.75Å; Q407-Y410 HydrophobicContact CB-CE2 4.02Å; Q407-Y410 HydrophobicContact CB-CG 4.29Å; Q407-Y410 VanDerWaalsContact CD-OH 3.27Å; Q407-Y410 HydrophobicContact CG-CE1 4.29Å; Q407-Y410 HydrophobicContact CG-CE2 4.08Å; Q407-Y410 WeakPolarHBondContact O-CB 3.3Å; Q407-Y410 PolarHBondContact O-N 2.95Å; Q407-Y410 VanDerWaalsContact OE1-CZ 3.29Å; Q407-Y410 PolarHBondContact OE1-OH 3.45Å
408I91.1Very high86.3Confident108 Ų10859.6 Ų59.655%0.55431%0.312SS*.THydrogen-bonded Turntrans-60.2133.2175-63.5162.9000109P362P362-I408 HydrophobicContact CG-CD1 3.95Å
409G90Very high87.6Confident29 Ų2952.6 Ų52.630%0.29929%0.29SS..THydrogen-bonded Turntrans102.9-32-173.800000114.3V360 D388 Q407V360-G409 PolarHBondContact O-N 3.05Å; D388-G409 VanDerWaalsContact OD1-C 3.29Å; Q407-G409 PolarHBondContact O-N 3.01Å
410Y93.7Very high89Confident20 Ų2051.2 Ų51.28%0.07828%0.281CS..  trans-58.8160.3175.3-71.312.2000111.2V360 I385 R387 D388 L406 Q407V360-Y410 WeakPolarHBondContact CG2-O 3.33Å; V360-Y410 PolarHBondContact N-O 3.45Å; I385-Y410 HydrophobicContact CG2-CD2 4.04Å; R387-Y410 HydrophobicContact CB-CD1 4.38Å; R387-Y410 HydrophobicContact CB-CE1 4.1Å; R387-Y410 HydrophobicContact CG-CD2 4.15Å; R387-Y410 HydrophobicContact CG-CE1 4.11Å; R387-Y410 HydrophobicContact CG-CE2 3.71Å; D388-Y410 WeakPolarHBondContact OD2-CD1 3.43Å; D388-Y410 VanDerWaalsContact OD2-CE1 3.23Å; D388-Y410 WeakPolarHBondContact OD2-CE1 3.47Å; L406-Y410 HydrophobicContact CD2-CD2 4.46Å; Q407-Y410 HydrophobicContact CB-CD1 4.04Å; Q407-Y410 HydrophobicContact CB-CD2 4.28Å; Q407-Y410 HydrophobicContact CB-CE1 3.75Å; Q407-Y410 HydrophobicContact CB-CE2 4.02Å; Q407-Y410 HydrophobicContact CB-CG 4.29Å; Q407-Y410 VanDerWaalsContact CD-OH 3.27Å; Q407-Y410 HydrophobicContact CG-CE1 4.29Å; Q407-Y410 HydrophobicContact CG-CE2 4.08Å; Q407-Y410 WeakPolarHBondContact O-CB 3.3Å; Q407-Y410 PolarHBondContact O-N 2.95Å; Q407-Y410 VanDerWaalsContact OE1-CZ 3.29Å; Q407-Y410 PolarHBondContact OE1-OH 3.45Å
411K93.9Very high90.1Very high95 Ų9544.4 Ų44.441%0.41325%0.252SS..EExtended strand (participates in β ladder)trans-119.4130.7176-50.5-176.2-177.1175.10110.7E358 I359 I385 I386E358-K411 CarbonylContact O-C 3.12Å; E358-K411 WeakPolarHBondContact O-CA 3.25Å; I359-K411 HydrophobicContact CG1-CD 4.41Å; I359-K411 HydrophobicContact CG1-CG 4.2Å; I385-K411 CarbonylContact C-O 2.9Å; I386-K411 HydrophobicContact CB-CB 4.29Å; I386-K411 PolarHBondContact N-O 2.9Å; I386-K411 PolarHBondContact O-N 2.59Å
412V94.3Very high91.3Very high0 Ų040.2 Ų40.20%022%0.217CC..EExtended strand (participates in β ladder)trans-106.3117.3176177.90000108.8V356 E358 V360 L368 V372 A382 L406 R414V356-V412 VanDerWaalsContact O-O 3.04Å; E358-V412 PolarHBondContact N-O 3.4Å; E358-V412 PolarHBondContact O-N 3.39Å; V360-V412 HydrophobicContact CG2-CG2 4.01Å; L368-V412 HydrophobicContact CB-CG2 4.24Å; L368-V412 HydrophobicContact CD1-CB 4.35Å; L368-V412 HydrophobicContact CD1-CG2 4.29Å; L368-V412 HydrophobicContact CD2-CB 4.28Å; L368-V412 HydrophobicContact CD2-CG1 4.44Å; V372-V412 HydrophobicContact CG2-CG1 3.76Å; V372-V412 HydrophobicContact CG2-CG2 4.05Å; A382-V412 HydrophobicContact CB-CG1 3.74Å; L406-V412 HydrophobicContact CD1-CG2 3.78Å; L406-V412 HydrophobicContact CD2-CG2 3.61Å; L406-V412 HydrophobicContact CG-CG2 4.37Å; V412-R414 HydrophobicContact CG1-CB 4.41Å; V412-R414 PolarHBondContact O-N 2.76Å
413E94.6Very high92.4Very high10 Ų1037.9 Ų37.95%0.04720%0.198CC..EExtended strand (participates in β ladder)trans-7778.7168.7-78.3-173.6-114.100109.5T355 V356 P357 K383 Y384 R392T355-E413 HydrophobicContact CG2-CB 3.97Å; T355-E413 PolarHBondContact OG1-OE2 3.34Å; V356-E413 WeakPolarHBondContact O-CA 3.02Å; P357-E413 HydrophobicContact CB-CG 4.28Å; K383-E413 PolarHBondContact N-O 3.12Å; Y384-E413 HydrophobicContact CD2-CB 4.15Å; Y384-E413 HydrophobicContact CD2-CG 4.49Å; Y384-E413 WeakPolarHBondContact CD2-OE2 3.46Å; Y384-E413 PolarHBondContact O-N 2.73Å; R392-E413 IonicContact CZ-OE1 2.82Å; R392-E413 IonicContact CZ-OE2 2.74Å; R392-E413 IonicContact NE-OE1 3.54Å; R392-E413 PolarHBondContact NE-OE1 3.07Å; R392-E413 IonicContact NH2-OE1 3.2Å; R392-E413 PolarHBondContact NH2-OE1 2.89Å; R392-E413 IonicContact NH2-OE2 3.87Å; R392-E413 PolarHBondContact NH2-OE2 3.35Å
414R94.9Very high93.2Very high3 Ų336 Ų361%0.01119%0.188CC..EExtended strand (participates in β ladder)trans-74.5157.5175.363162.9-177.677.9-2.3111.7T355 V356 E358 L371 A382 V412 D420T355-R414 CarbonylContact C-O 3.48Å; T355-R414 VanDerWaalsContact CA-O 3.22Å; T355-R414 WeakPolarHBondContact CA-O 3.49Å; V356-R414 HydrophobicContact CB-CG 4.44Å; V356-R414 PolarHBondContact N-O 2.73Å; V356-R414 PolarHBondContact O-N 3.46Å; V356-R414 VanDerWaalsContact O-N 3.15Å; E358-R414 IonicContact OE2-CZ 3.17Å; E358-R414 VanDerWaalsContact OE2-CZ 3.32Å; E358-R414 IonicContact OE2-NE 2.74Å; E358-R414 PolarHBondContact OE2-NE 2.68Å; E358-R414 IonicContact OE2-NH2 2.7Å; E358-R414 PolarHBondContact OE2-NH2 2.98Å; L371-R414 HydrophobicContact CD1-CB 4.04Å; A382-R414 HydrophobicContact CB-CB 4.42Å; V412-R414 HydrophobicContact CG1-CB 4.41Å; V412-R414 PolarHBondContact O-N 2.76Å; R414-D420 IonicContact CZ-OD1 3.01Å; R414-D420 IonicContact CZ-OD2 3.92Å; R414-D420 IonicContact NH1-OD1 3.32Å; R414-D420 IonicContact NH1-OD2 2.89Å; R414-D420 PolarHBondContact NH1-OD2 3.21Å; R414-D420 IonicContact NH2-OD1 2.74Å; R414-D420 PolarHBondContact NH2-OD1 3.46Å; R414-D420 IonicContact NH2-OD2 2.86Å; R414-D420 PolarHBondContact NH2-OD2 2.8Å
415H96.3Very high93.8Very high3 Ų334.4 Ų34.41%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-59155.9169.2-61.7151.5000111.8Q352 D376 H378 Y379 G381Q352-H415 PolarHBondContact O-CD2 3.2Å; Q352-H415 PolarHBondContact O-NE2 3.23Å; D376-H415 PolarHBondContact O-CE1 3.34Å; D376-H415 VanDerWaalsContact O-CE1 3.24Å; D376-H415 IonicContact OD1-CD2 2.73Å; D376-H415 IonicContact OD1-CE1 3.97Å; D376-H415 IonicContact OD1-NE2 3.15Å; D376-H415 PolarHBondContact OD1-NE2 3.23Å; H378-H415 PolarHBondContact O-CE1 3.22Å; Y379-H415 HydrophobicContact CD2-CB 4.4Å; G381-H415 PolarHBondContact N-ND1 3.22Å; G381-H415 PolarHBondContact O-N 3.1Å
416L94.9Very high93.9Very high0 Ų030.3 Ų30.30%016%0.159CC..PPolyproline II helixtrans-64.6128.8169.7-174.368.5000110.1V346 A351 L354 V356 Y379 D420 V422 V440 L471V346-L416 HydrophobicContact CG1-CD2 4.28Å; A351-L416 HydrophobicContact CB-CB 4.34Å; A351-L416 PolarHBondContact O-N 2.99Å; A351-L416 VanDerWaalsContact O-N 3.17Å; L354-L416 HydrophobicContact CD1-CD2 4.32Å; L354-L416 PolarHBondContact O-N 3.03Å; V356-L416 HydrophobicContact CG2-CD1 4.33Å; Y379-L416 WeakPolarHBondContact CE2-O 3.42Å; L416-D420 HydrophobicContact CD1-CB 3.64Å; L416-V422 HydrophobicContact CD1-CG1 4.27Å; L416-V440 HydrophobicContact CD1-CG2 4.11Å; L416-V440 HydrophobicContact CD2-CG1 4.24Å; L416-V440 HydrophobicContact CD2-CG2 3.98Å; L416-V440 HydrophobicContact CG-CG1 4.22Å; L416-V440 HydrophobicContact CG-CG2 4.11Å; L416-L471 HydrophobicContact CD1-CD1 3.55Å; L416-L471 HydrophobicContact CD1-CD2 3.98Å; L416-L471 HydrophobicContact CD1-CG 4.41Å
417R93.7Very high93.7Very high75 Ų7535.7 Ų35.728%0.28318%0.184SC..  trans-120.9167.2-176.272.7-175.1175.4-167-4.1113E358 G419 D420E358-R417 IonicContact OE2-NH2 3.03Å; R417-G419 PolarHBondContact O-N 2.91Å; R417-D420 WeakPolarHBondContact CG-OD2 3.49Å; R417-D420 PolarHBondContact N-OD2 3.13Å; R417-D420 WeakPolarHBondContact O-CB 3.4Å; R417-D420 PolarHBondContact O-N 2.87Å; R417-D420 VanDerWaalsContact O-N 3.12Å
418D96Very high93.3Very high66 Ų6635.9 Ų35.935%0.35319%0.194SC..THydrogen-bonded Turntrans-50.1131.2170.2-81.816.2000111.1D420 V440 K441 V442D418-D420 VanDerWaalsContact C-N 3.34Å; D418-D420 PolarHBondContact O-N 3.36Å; D418-V440 WeakPolarHBondContact CA-O 3.28Å; D418-K441 WeakPolarHBondContact OD2-CD 3.37Å; D418-K441 WeakPolarHBondContact OD2-CE 3.47Å; D418-K441 IonicContact OD2-NZ 2.73Å; D418-K441 PolarHBondContact OD2-NZ 2.95Å; D418-V442 PolarHBondContact OD1-N 3.04Å
419G93.5Very high93Very high39 Ų3931.6 Ų31.640%0.40217%0.173SC..THydrogen-bonded Turntrans82.6-3.4-179.600000116R417 V440R417-G419 PolarHBondContact O-N 2.91Å; G419-V440 PolarHBondContact N-O 3.05Å
420D95.4Very high92.5Very high4 Ų432 Ų322%0.02117%0.168CC..  trans-64.4151.4164.5-78.2-36.3000110.7R414 L416 R417 D418 R439 V440 K478R414-D420 IonicContact CZ-OD1 3.01Å; R414-D420 IonicContact CZ-OD2 3.92Å; R414-D420 IonicContact NH1-OD1 3.32Å; R414-D420 IonicContact NH1-OD2 2.89Å; R414-D420 PolarHBondContact NH1-OD2 3.21Å; R414-D420 IonicContact NH2-OD1 2.74Å; R414-D420 PolarHBondContact NH2-OD1 3.46Å; R414-D420 IonicContact NH2-OD2 2.86Å; R414-D420 PolarHBondContact NH2-OD2 2.8Å; L416-D420 HydrophobicContact CD1-CB 3.64Å; R417-D420 WeakPolarHBondContact CG-OD2 3.49Å; R417-D420 PolarHBondContact N-OD2 3.13Å; R417-D420 WeakPolarHBondContact O-CB 3.4Å; R417-D420 PolarHBondContact O-N 2.87Å; R417-D420 VanDerWaalsContact O-N 3.12Å; D418-D420 VanDerWaalsContact C-N 3.34Å; D418-D420 PolarHBondContact O-N 3.36Å; D420-R439 CarbonylContact O-C 3.57Å; D420-R439 WeakPolarHBondContact O-CA 3.4Å; D420-V440 HydrophobicContact CB-CG2 4.5Å; D420-V440 WeakPolarHBondContact O-CG2 3.35Å; D420-V440 PolarHBondContact O-N 3.01Å; D420-K478 IonicContact OD1-NZ 3.56Å
421V96.1Very high92Very high6 Ų631.5 Ų31.54%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-102.1132.2-176.2178.10000109.7H438 P472 K478 V481 M486V421-H438 WeakPolarHBondContact CA-O 3.48Å; V421-P472 WeakPolarHBondContact O-CD 3.32Å; V421-K478 HydrophobicContact CB-CG 4.3Å; V421-V481 HydrophobicContact CG1-CB 4.26Å; V421-V481 HydrophobicContact CG1-CG1 3.51Å; V421-M486 HydrophobicContact CG1-SD 4.1Å
422V96.3Very high91.7Very high0 Ų027.9 Ų27.90%015%0.151CC..EExtended strand (participates in β ladder)trans-132148.4-179.7-67.60000111.3L344 L416 G437 H438 V440 L469 L471L344-V422 HydrophobicContact CD2-CG2 4.05Å; L416-V422 HydrophobicContact CD1-CG1 4.27Å; V422-G437 CarbonylContact O-C 3.59Å; V422-G437 WeakPolarHBondContact O-CA 3.3Å; V422-H438 HydrophobicContact CG2-CB 4.22Å; V422-H438 PolarHBondContact N-O 2.99Å; V422-H438 PolarHBondContact O-N 2.79Å; V422-V440 HydrophobicContact CB-CG2 4.35Å; V422-V440 HydrophobicContact CG1-CG2 3.61Å; V422-V440 HydrophobicContact CG2-CG2 3.78Å; V422-L469 HydrophobicContact CB-CD1 4.48Å; V422-L469 HydrophobicContact CB-CD2 4.03Å; V422-L469 HydrophobicContact CB-CG 4Å; V422-L469 HydrophobicContact CG1-CD1 4.44Å; V422-L469 HydrophobicContact CG1-CD2 3.81Å; V422-L469 HydrophobicContact CG1-CG 4.21Å; V422-L469 HydrophobicContact CG2-CD1 4.24Å; V422-L469 HydrophobicContact CG2-CG 4.15Å; V422-L471 HydrophobicContact CG1-CD1 3.83Å
423I96.5Very high91.5Very high36 Ų3628 Ų2819%0.18515%0.151CC..EExtended strand (participates in β ladder)trans-89130.5170.1-51.6172.8000108.1M435 L469 H470 P472 V481I423-M435 HydrophobicContact CG2-CB 4.46Å; I423-M435 HydrophobicContact CG2-CE 4.06Å; I423-L469 CarbonylContact O-C 3.51Å; I423-L469 WeakPolarHBondContact O-CA 3.44Å; I423-H470 HydrophobicContact CB-CB 4.38Å; I423-H470 PolarHBondContact N-O 3.31Å; I423-H470 PolarHBondContact O-N 3.25Å; I423-P472 HydrophobicContact CG1-CG 4.48Å; I423-V481 HydrophobicContact CD1-CG2 3.59Å; I423-V481 HydrophobicContact CG1-CB 4.46Å; I423-V481 HydrophobicContact CG1-CG1 3.94Å; I423-V481 HydrophobicContact CG1-CG2 3.57Å
424F95.5Very high91.3Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-124.1132.8-179.8-163.5-126.1000111I333 L344 M436 H438 F448 L450 Y458 M467 N468 L469I333-F424 HydrophobicContact CG2-CE1 4.25Å; I333-F424 HydrophobicContact CG2-CZ 3.87Å; L344-F424 HydrophobicContact CD1-CD1 3.68Å; L344-F424 HydrophobicContact CD1-CD2 4.29Å; L344-F424 HydrophobicContact CD1-CE1 3.46Å; L344-F424 VanDerWaalsContact CD1-CE1 3.46Å; L344-F424 HydrophobicContact CD1-CE2 4.13Å; L344-F424 HydrophobicContact CD1-CG 4.1Å; L344-F424 HydrophobicContact CD1-CZ 3.7Å; L344-F424 HydrophobicContact CD2-CB 4.32Å; L344-F424 HydrophobicContact CD2-CD1 4.32Å; L344-F424 HydrophobicContact CD2-CD2 3.66Å; L344-F424 HydrophobicContact CD2-CE2 3.94Å; L344-F424 HydrophobicContact CD2-CG 3.87Å; L344-F424 HydrophobicContact CD2-CZ 4.37Å; F424-M436 PolarHBondContact N-O 3.47Å; F424-M436 PolarHBondContact O-N 2.84Å; F424-M436 VanDerWaalsContact O-N 3.1Å; F424-H438 VanDerWaalsContact CB-CD2 3.48Å; F424-H438 WeakPolarHBondContact CB-CD2 3.43Å; F424-H438 AromaticContact CD1-NE2 3.73Å; F424-F448 HydrophobicContact CE2-CB 4.48Å; F424-F448 HydrophobicContact CE2-CD1 4.49Å; F424-F448 AromaticContact CE2-CD2 3.51Å; F424-F448 HydrophobicContact CE2-CD2 3.51Å; F424-F448 AromaticContact CE2-CE2 3.72Å; F424-F448 HydrophobicContact CE2-CE2 3.72Å; F424-F448 AromaticContact CE2-CG 3.94Å; F424-F448 HydrophobicContact CE2-CG 3.94Å; F424-F448 HydrophobicContact CE2-CZ 4.33Å; F424-F448 HydrophobicContact CZ-CB 3.99Å; F424-F448 AromaticContact CZ-CD2 3.71Å; F424-F448 HydrophobicContact CZ-CD2 3.71Å; F424-F448 HydrophobicContact CZ-CE2 4.39Å; F424-F448 AromaticContact CZ-CG 3.95Å; F424-F448 HydrophobicContact CZ-CG 3.95Å; F424-L450 HydrophobicContact CE1-CD2 4.18Å; F424-Y458 HydrophobicContact CD1-CE2 4.24Å; F424-Y458 WeakPolarHBondContact O-CE1 3.48Å; F424-Y458 PolarHBondContact O-OH 3.38Å; F424-M467 HydrophobicContact CD1-CE 3.34Å; F424-M467 HydrophobicContact CD1-SD 4.35Å; F424-M467 HydrophobicContact CE1-CB 3.89Å; F424-M467 HydrophobicContact CE1-CE 3.25Å; F424-M467 HydrophobicContact CE1-CG 4.39Å; F424-M467 HydrophobicContact CE1-SD 3.65Å; F424-M467 HydrophobicContact CE2-CB 3.75Å; F424-M467 HydrophobicContact CG-CE 4.13Å; F424-M467 HydrophobicContact CZ-CB 3.35Å; F424-M467 HydrophobicContact CZ-CE 3.99Å; F424-M467 HydrophobicContact CZ-CG 4.29Å; F424-M467 HydrophobicContact CZ-SD 4.1Å; F424-N468 WeakPolarHBondContact CA-O 3.44Å; F424-N468 VanDerWaalsContact CD2-O 3.24Å; F424-N468 WeakPolarHBondContact CD2-O 3.4Å; F424-L469 HydrophobicContact CD2-CB 3.99Å; F424-L469 HydrophobicContact CE2-CB 4.34Å
425N94Very high91.2Very high8 Ų830 Ų304%0.04316%0.163CC..EExtended strand (participates in β ladder)trans-139.1154.5-176.473.57.7000115.4S434 M435 M467 N468N425-S434 VanDerWaalsContact CA-O 3.26Å; N425-S434 WeakPolarHBondContact CA-O 3.32Å; N425-S434 VanDerWaalsContact CB-O 3.26Å; N425-S434 WeakPolarHBondContact CB-O 3.3Å; N425-M435 HydrophobicContact CB-CB 4.28Å; N425-M435 HydrophobicContact CB-CE 4.41Å; N425-M435 HydrophobicContact CB-CG 3.73Å; N425-M467 VanDerWaalsContact C-CE 3.49Å; N425-M467 WeakPolarHBondContact O-CA 3.43Å; N425-M467 WeakPolarHBondContact O-CB 3.44Å; N425-N468 PolarHBondContact N-O 3.15Å; N425-N468 PolarHBondContact O-N 2.61Å; N425-N468 WeakPolarHBondContact OD1-CB 3.38Å; N425-N468 PolarHBondContact OD1-ND2 2.99Å; N425-N468 PolarHBondContact OD1-O 3.1Å
426R90.2Very high91.1Very high34 Ų3429.9 Ų29.913%0.12816%0.162CC..  trans-111.5149.5167.2-170.4155169.5-100.416.4110.4T429 S434 Y458 N459 D465 M467R426-T429 WeakPolarHBondContact O-CB 3.39Å; R426-T429 PolarHBondContact O-OG1 3.34Å; R426-S434 PolarHBondContact N-O 3.21Å; R426-Y458 HydrophobicContact CB-CD1 4.16Å; R426-Y458 WeakPolarHBondContact CD-O 3.3Å; R426-Y458 PolarHBondContact NH1-O 3.48Å; R426-N459 VanDerWaalsContact CZ-O 3.27Å; R426-N459 PolarHBondContact NH1-O 3.11Å; R426-N459 PolarHBondContact NH2-O 3.23Å; R426-D465 IonicContact CZ-OD1 3.17Å; R426-D465 IonicContact CZ-OD2 3.88Å; R426-D465 VanDerWaalsContact CZ-OD2 3.23Å; R426-D465 IonicContact NE-OD1 3.62Å; R426-D465 PolarHBondContact NE-OD1 3.12Å; R426-D465 IonicContact NE-OD2 3.94Å; R426-D465 PolarHBondContact NE-OD2 3.26Å; R426-D465 VanDerWaalsContact NH2-CG 3.26Å; R426-D465 IonicContact NH2-OD1 3.88Å; R426-D465 PolarHBondContact NH2-OD1 3.27Å; R426-D465 IonicContact NH2-OD2 2.77Å; R426-D465 PolarHBondContact NH2-OD2 3.41Å; R426-M467 HydrophobicContact CB-CE 3.96Å; R426-M467 HydrophobicContact CB-CG 3.87Å; R426-M467 HydrophobicContact CB-SD 4.09Å; R426-M467 HydrophobicContact CG-CG 4.09Å
427Q85.2Confident91.2Very high116 Ų11629.9 Ų29.954%0.54216%0.162SC..SBendtrans-115138.5176.5-65.1178.51100109.3N468Q427-N468 PolarHBondContact NE2-ND2 3.48Å
428P83.4Confident91.4Very high101 Ų10126.3 Ų26.366%0.65615%0.148SC*.SBendcis-72.4136.9-0.731.5-35.3000112.2L430P428-L430 HydrophobicContact CB-CD2 4.47Å; P428-L430 HydrophobicContact CB-CG 4.43Å; P428-L430 HydrophobicContact CG-CG 4.48Å; P428-L430 PolarHBondContact O-N 3.19Å
429T84.3Confident91.4Very high19 Ų1927.5 Ų27.512%0.11715%0.148CC..  trans-93.187.1-171.3-39.30000109.1R426 M435 P1658 S1659R426-T429 WeakPolarHBondContact O-CB 3.39Å; R426-T429 PolarHBondContact O-OG1 3.34Å; T429-M435 HydrophobicContact CG2-CG 3.4Å; T429-M435 HydrophobicContact CG2-SD 4.06Å; T429-P1658 HydrophobicContact CG2-CB 3.48Å; T429-P1658 VanDerWaalsContact CG2-CB 3.48Å; T429-P1658 WeakPolarHBondContact O-CG 3.33Å; T429-S1659 WeakPolarHBondContact CB-OG 3.15Å
430L79.1Confident91.6Very high37 Ų3725.9 Ų25.919%0.19413%0.13CC..  trans-89.7-30.6-167.6-65.2175.3000114.2P428 Q802 L1034 T1041P428-L430 HydrophobicContact CB-CD2 4.47Å; P428-L430 HydrophobicContact CB-CG 4.43Å; P428-L430 HydrophobicContact CG-CG 4.48Å; P428-L430 PolarHBondContact O-N 3.19Å; L430-Q802 HydrophobicContact CD2-CG 4.27Å; L430-Q802 PolarHBondContact O-NE2 2.79Å; L430-L1034 WeakPolarHBondContact O-CD2 3.24Å; L430-T1041 HydrophobicContact CD1-CG2 3.76Å
431H83.9Confident91.7Very high10 Ų1029.4 Ų29.45%0.04615%0.145CC..SBendtrans-122.8163.7179.4-166.7-114000111.5M433 S434 T493 E1038H431-M433 VanDerWaalsContact C-N 3.34Å; H431-M433 PolarHBondContact CE1-SD 3.46Å; H431-M433 PolarHBondContact ND1-SD 3.14Å; H431-M433 VanDerWaalsContact ND1-SD 3.44Å; H431-M433 PolarHBondContact O-N 2.92Å; H431-S434 PolarHBondContact N-OG 2.89Å; H431-S434 VanDerWaalsContact O-CB 3.28Å; H431-S434 WeakPolarHBondContact O-CB 3.35Å; H431-S434 PolarHBondContact O-N 3.07Å; H431-S434 PolarHBondContact O-OG 3.25Å; H431-T493 PolarHBondContact CE1-OG1 2.9Å; H431-T493 VanDerWaalsContact CE1-OG1 3.23Å; H431-E1038 HydrophobicContact CB-CG 4.16Å
432K87.7Confident91.7Very high19 Ų1930.1 Ų30.18%0.08315%0.15CC..G310 helixtrans-42.2-59.1172.5162.5-166.9168.4157.10111.2S434 M435 M490 P1655 T1656K432-S434 PolarHBondContact O-N 2.86Å; K432-M435 PolarHBondContact O-N 3.3Å; K432-M490 HydrophobicContact CD-SD 4.42Å; K432-M490 WeakPolarHBondContact CE-SD 3.37Å; K432-P1655 WeakPolarHBondContact CD-O 3.18Å; K432-P1655 WeakPolarHBondContact CE-O 3.34Å; K432-P1655 PolarHBondContact NZ-O 3.08Å; K432-T1656 HydrophobicContact CD-CG2 3.98Å
433M91.1Very high91.7Very high1 Ų131.6 Ų31.61%0.00516%0.157CC..G310 helixtrans-69.4-0.7-175.4-65.781.5167.400114.5H431 M435 M436 P457 M490 L492 V500H431-M433 VanDerWaalsContact C-N 3.34Å; H431-M433 PolarHBondContact CE1-SD 3.46Å; H431-M433 PolarHBondContact ND1-SD 3.14Å; H431-M433 VanDerWaalsContact ND1-SD 3.44Å; H431-M433 PolarHBondContact O-N 2.92Å; M433-M435 PolarHBondContact O-N 2.9Å; M433-M436 HydrophobicContact CB-CG 4.27Å; M433-M436 HydrophobicContact CB-SD 3.76Å; M433-M436 HydrophobicContact CG-SD 4.03Å; M433-M436 WeakPolarHBondContact O-CE 3.48Å; M433-M436 WeakPolarHBondContact O-CG 3.26Å; M433-P457 HydrophobicContact CB-CB 3.64Å; M433-M490 HydrophobicContact CE-CB 4.43Å; M433-M490 WeakPolarHBondContact CE-O 3.48Å; M433-M490 HydrophobicContact CG-CB 3.93Å; M433-L492 WeakPolarHBondContact CE-O 3.27Å; M433-V500 HydrophobicContact CE-CG1 4.41Å; M433-V500 HydrophobicContact CG-CG1 4.11Å
434S89.1Confident91.6Very high12 Ų1234.7 Ų34.78%0.08418%0.179CC..G310 helixtrans-75.8-3.2165.4-49.20000112.5N425 R426 H431 K432 P457 Y458N425-S434 VanDerWaalsContact CA-O 3.26Å; N425-S434 WeakPolarHBondContact CA-O 3.32Å; N425-S434 VanDerWaalsContact CB-O 3.26Å; N425-S434 WeakPolarHBondContact CB-O 3.3Å; R426-S434 PolarHBondContact N-O 3.21Å; H431-S434 PolarHBondContact N-OG 2.89Å; H431-S434 VanDerWaalsContact O-CB 3.28Å; H431-S434 WeakPolarHBondContact O-CB 3.35Å; H431-S434 PolarHBondContact O-N 3.07Å; H431-S434 PolarHBondContact O-OG 3.25Å; K432-S434 PolarHBondContact O-N 2.86Å; S434-P457 PolarHBondContact OG-O 3.34Å; S434-Y458 WeakPolarHBondContact O-CE1 3.42Å
435M92.5Very high91.4Very high45 Ų4540.8 Ų40.822%0.22220%0.203CC..EExtended strand (participates in β ladder)trans-129.9121.8162.6-52.4-167.453.400109.7I423 N425 T429 K432 M433 P1658I423-M435 HydrophobicContact CG2-CB 4.46Å; I423-M435 HydrophobicContact CG2-CE 4.06Å; N425-M435 HydrophobicContact CB-CB 4.28Å; N425-M435 HydrophobicContact CB-CE 4.41Å; N425-M435 HydrophobicContact CB-CG 3.73Å; T429-M435 HydrophobicContact CG2-CG 3.4Å; T429-M435 HydrophobicContact CG2-SD 4.06Å; K432-M435 PolarHBondContact O-N 3.3Å; M433-M435 PolarHBondContact O-N 2.9Å; M435-P1658 HydrophobicContact CG-CB 4.29Å; M435-P1658 HydrophobicContact SD-CB 4.29Å
436M95.6Very high91.4Very high0 Ų044.5 Ų44.50%023%0.229CC..EExtended strand (participates in β ladder)trans-145.1157-179.4-59-175.2-69.300112.1F424 M433 V454 P457 Y458 C485 I487 M490 M501F424-M436 PolarHBondContact N-O 3.47Å; F424-M436 PolarHBondContact O-N 2.84Å; F424-M436 VanDerWaalsContact O-N 3.1Å; M433-M436 HydrophobicContact CB-CG 4.27Å; M433-M436 HydrophobicContact CB-SD 3.76Å; M433-M436 HydrophobicContact CG-SD 4.03Å; M433-M436 WeakPolarHBondContact O-CE 3.48Å; M433-M436 WeakPolarHBondContact O-CG 3.26Å; M436-V454 HydrophobicContact CE-CG1 3.51Å; M436-P457 HydrophobicContact CE-CB 4.13Å; M436-P457 HydrophobicContact CE-CG 3.81Å; M436-Y458 HydrophobicContact CE-CD2 4.3Å; M436-Y458 HydrophobicContact CE-CE1 4.16Å; M436-Y458 HydrophobicContact CE-CE2 3.67Å; M436-C485 WeakPolarHBondContact CA-O 3.41Å; M436-I487 HydrophobicContact CB-CG1 3.84Å; M436-I487 HydrophobicContact CE-CD1 4.17Å; M436-I487 HydrophobicContact CE-CG1 3.92Å; M436-I487 HydrophobicContact CG-CG1 4.48Å; M436-I487 HydrophobicContact SD-CG1 3.92Å; M436-M490 HydrophobicContact CB-CG 4.48Å; M436-M490 HydrophobicContact CG-CB 4.39Å; M436-M490 HydrophobicContact CG-CG 3.96Å; M436-M490 HydrophobicContact SD-CB 3.66Å; M436-M490 HydrophobicContact SD-CG 3.89Å; M436-M501 HydrophobicContact CE-CE 3.99Å; M436-M501 HydrophobicContact SD-CE 3.54Å; M436-M501 VanDerWaalsContact SD-CE 3.54Å
437G96.2Very high91.7Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-81.7134173.700000112.8V422 C485 M486 I487V422-G437 CarbonylContact O-C 3.59Å; V422-G437 WeakPolarHBondContact O-CA 3.3Å; G437-C485 PolarHBondContact N-O 2.98Å; G437-M486 VanDerWaalsContact C-SD 3.56Å; G437-I487 PolarHBondContact O-N 2.86Å
438H97.2Very high92.3Very high0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-125.7152.4174.3-66.8-120.8000110.7D342 L344 V421 V422 F424 Y458 M486 I487D342-H438 CarbonylContact O-C 3.56Å; D342-H438 WeakPolarHBondContact O-CA 3.48Å; L344-H438 HydrophobicContact CB-CB 3.68Å; V421-H438 WeakPolarHBondContact CA-O 3.48Å; V422-H438 HydrophobicContact CG2-CB 4.22Å; V422-H438 PolarHBondContact N-O 2.99Å; V422-H438 PolarHBondContact O-N 2.79Å; F424-H438 VanDerWaalsContact CB-CD2 3.48Å; F424-H438 WeakPolarHBondContact CB-CD2 3.43Å; F424-H438 AromaticContact CD1-NE2 3.73Å; H438-Y458 AromaticContact NE2-CE2 3.93Å; H438-Y458 AromaticContact NE2-CZ 3.86Å; H438-Y458 PolarHBondContact NE2-OH 3.35Å; H438-M486 VanDerWaalsContact C-CE 3.48Å; H438-I487 WeakPolarHBondContact CE1-CD1 3.33Å; H438-I487 WeakPolarHBondContact NE2-CD1 3.47Å
439R97.4Very high92.9Very high91 Ų9136.7 Ų36.734%0.34319%0.186SC..EExtended strand (participates in β ladder)trans-85.2134.6162.3-73.2-165.6-62.5-72.5-10.1109.5D342 Q343 L344 D420 M486D342-R439 PolarHBondContact O-N 3.49Å; D342-R439 IonicContact OD1-CZ 2.68Å; D342-R439 IonicContact OD1-NH1 3.7Å; D342-R439 IonicContact OD1-NH2 3.69Å; D342-R439 PolarHBondContact OD1-NH2 2.93Å; D342-R439 IonicContact OD2-CZ 2.71Å; D342-R439 IonicContact OD2-NH1 2.68Å; D342-R439 PolarHBondContact OD2-NH1 3.36Å; D342-R439 IonicContact OD2-NH2 2.68Å; D342-R439 PolarHBondContact OD2-NH2 3.18Å; Q343-R439 WeakPolarHBondContact CA-O 3.05Å; L344-R439 PolarHBondContact N-O 3.15Å; D420-R439 CarbonylContact O-C 3.57Å; D420-R439 WeakPolarHBondContact O-CA 3.4Å; R439-M486 HydrophobicContact CB-CE 4.42Å; R439-M486 HydrophobicContact CG-CE 3.74Å
440V97.2Very high93.4Very high4 Ų435.8 Ų35.82%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-70.6137.4177173.60000110.6V346 L416 D418 G419 D420 V422 V442V346-V440 HydrophobicContact CB-CG1 4.02Å; V346-V440 HydrophobicContact CG2-CG1 3.91Å; V346-V440 HydrophobicContact CG2-CG2 4.21Å; L416-V440 HydrophobicContact CD1-CG2 4.11Å; L416-V440 HydrophobicContact CD2-CG1 4.24Å; L416-V440 HydrophobicContact CD2-CG2 3.98Å; L416-V440 HydrophobicContact CG-CG1 4.22Å; L416-V440 HydrophobicContact CG-CG2 4.11Å; D418-V440 WeakPolarHBondContact CA-O 3.28Å; G419-V440 PolarHBondContact N-O 3.05Å; D420-V440 HydrophobicContact CB-CG2 4.5Å; D420-V440 WeakPolarHBondContact O-CG2 3.35Å; D420-V440 PolarHBondContact O-N 3.01Å; V422-V440 HydrophobicContact CB-CG2 4.35Å; V422-V440 HydrophobicContact CG1-CG2 3.61Å; V422-V440 HydrophobicContact CG2-CG2 3.78Å; V440-V442 HydrophobicContact CG1-CG2 3.75Å
441K97.1Very high94.2Very high79 Ų7934 Ų3434%0.34317%0.171SC..EExtended strand (participates in β ladder)trans-124.5115.2161.7-175.267.4-172.8168.30108.3L339 L344 G345 V346 D418 L443L339-K441 HydrophobicContact CD2-CB 4.24Å; L339-K441 HydrophobicContact CD2-CG 4.08Å; L344-K441 PolarHBondContact O-N 3.26Å; G345-K441 CarbonylContact C-O 3.39Å; G345-K441 VanDerWaalsContact CA-O 3.27Å; G345-K441 WeakPolarHBondContact CA-O 3.38Å; V346-K441 PolarHBondContact N-O 3.26Å; D418-K441 WeakPolarHBondContact OD2-CD 3.37Å; D418-K441 WeakPolarHBondContact OD2-CE 3.47Å; D418-K441 IonicContact OD2-NZ 2.73Å; D418-K441 PolarHBondContact OD2-NZ 2.95Å; K441-L443 HydrophobicContact CG-CD2 4.22Å
442V96.7Very high94.7Very high21 Ų2134.3 Ų34.313%0.12717%0.173CC..EExtended strand (participates in β ladder)trans-80.9124.9-175.8-178.10000110.5V346 K348 A351 Y379 D418 V440V346-V442 WeakPolarHBondContact O-CA 3.5Å; K348-V442 HydrophobicContact CB-CG1 4.13Å; K348-V442 HydrophobicContact CG-CG1 4.43Å; A351-V442 HydrophobicContact CB-CG1 3.87Å; A351-V442 HydrophobicContact CB-CG2 3.75Å; Y379-V442 HydrophobicContact CE1-CB 4.41Å; Y379-V442 HydrophobicContact CE1-CG1 4.09Å; Y379-V442 HydrophobicContact CE2-CG1 4.39Å; Y379-V442 HydrophobicContact CE2-CG2 4.39Å; Y379-V442 VanDerWaalsContact OH-CG2 3.28Å; Y379-V442 WeakPolarHBondContact OH-CG2 3.41Å; D418-V442 PolarHBondContact OD1-N 3.04Å; V440-V442 HydrophobicContact CG1-CG2 3.75Å
443L95.8Very high95Very high31 Ų3133.4 Ų33.416%0.16217%0.169CC..EExtended strand (participates in β ladder)trans-123.4155-174.6-63.7-179.2000111.3V346 K348 K441 W445 R449V346-L443 PolarHBondContact O-N 3.07Å; K348-L443 PolarHBondContact N-O 3.22Å; K441-L443 HydrophobicContact CG-CD2 4.22Å; L443-W445 VanDerWaalsContact C-N 3.35Å; L443-W445 HydrophobicContact CB-CE3 3.97Å; L443-W445 HydrophobicContact CB-CZ3 4.26Å; L443-W445 HydrophobicContact CD1-CE3 4.33Å; L443-W445 HydrophobicContact CD1-CZ3 4.19Å; L443-W445 HydrophobicContact CD2-CZ3 4.39Å; L443-W445 PolarHBondContact O-N 2.72Å; L443-R449 HydrophobicContact CD1-CB 4.25Å; L443-R449 HydrophobicContact CD1-CG 4.13Å
444P93.5Very high95.2Very high100 Ų10033.4 Ų33.465%0.64917%0.169SC*.SBendtrans-77-14.7-172.430.2-36.5000114.9
445W93.3Very high95.4Very high129 Ų12933.1 Ų33.149%0.48917%0.167SC..SBendtrans-84.2177.1-176.9-53.6-73.6000113P347 L443 R449P347-W445 VanDerWaalsContact CA-O 3.27Å; P347-W445 WeakPolarHBondContact CA-O 3.45Å; P347-W445 WeakPolarHBondContact CB-O 3.47Å; P347-W445 WeakPolarHBondContact CG-O 3.39Å; L443-W445 VanDerWaalsContact C-N 3.35Å; L443-W445 HydrophobicContact CB-CE3 3.97Å; L443-W445 HydrophobicContact CB-CZ3 4.26Å; L443-W445 HydrophobicContact CD1-CE3 4.33Å; L443-W445 HydrophobicContact CD1-CZ3 4.19Å; L443-W445 HydrophobicContact CD2-CZ3 4.39Å; L443-W445 PolarHBondContact O-N 2.72Å; W445-R449 VanDerWaalsContact CE3-NH2 3.35Å
446S93.7Very high95.3Very high86 Ų8633.8 Ų33.860%0.60117%0.173SC*.SBendtrans-102-2.3-174.9-59.60000115.5T331 P347T331-S446 PolarHBondContact OG1-O 3.31Å; P347-S446 VanDerWaalsContact CG-C 3.42Å; P347-S446 WeakPolarHBondContact CG-O 3.25Å
447T96Very high95.2Very high36 Ų3634.3 Ų34.322%0.22118%0.177CC..SBendtrans-98.9153.9177.153.70000111.5V332 T334 P347V332-T447 HydrophobicContact CB-CG2 4.4Å; V332-T447 WeakPolarHBondContact O-CA 3.5Å; V332-T447 VanDerWaalsContact O-CB 3.32Å; V332-T447 WeakPolarHBondContact O-CB 3.27Å; T334-T447 HydrophobicContact CG2-CG2 3.97Å; T334-T447 WeakPolarHBondContact OG1-CB 3.16Å; T334-T447 PolarHBondContact OG1-OG1 2.87Å; P347-T447 WeakPolarHBondContact CD-O 3.4Å; P347-T447 WeakPolarHBondContact CG-O 3.15Å
448F97.3Very high95Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-72.1146.4163.3-73-47.8000109.4A329 T331 V332 I333 T334 L344 G345 V346 I350 F424 M467 L469A329-F448 HydrophobicContact CB-CZ 4.31Å; T331-F448 HydrophobicContact CG2-CB 4.18Å; T331-F448 HydrophobicContact CG2-CD1 3.99Å; T331-F448 HydrophobicContact CG2-CD2 3.3Å; T331-F448 HydrophobicContact CG2-CE1 4.19Å; T331-F448 HydrophobicContact CG2-CE2 3.58Å; T331-F448 HydrophobicContact CG2-CG 3.53Å; T331-F448 HydrophobicContact CG2-CZ 4Å; V332-F448 PolarHBondContact O-N 2.62Å; I333-F448 CarbonylContact C-O 3.53Å; I333-F448 WeakPolarHBondContact CA-O 3.38Å; I333-F448 HydrophobicContact CG2-CB 4.03Å; T334-F448 PolarHBondContact N-O 2.64Å; T334-F448 PolarHBondContact OG1-O 3.27Å; L344-F448 HydrophobicContact CD1-CB 4.48Å; L344-F448 HydrophobicContact CD2-CD1 4.42Å; G345-F448 CarbonylContact O-C 3.47Å; G345-F448 WeakPolarHBondContact O-CA 3.45Å; V346-F448 HydrophobicContact CG1-CE1 4.32Å; V346-F448 HydrophobicContact CG2-CD1 4.39Å; V346-F448 HydrophobicContact CG2-CE1 4.25Å; I350-F448 HydrophobicContact CD1-CE1 3.95Å; I350-F448 HydrophobicContact CD1-CZ 3.91Å; F424-F448 HydrophobicContact CE2-CB 4.48Å; F424-F448 HydrophobicContact CE2-CD1 4.49Å; F424-F448 AromaticContact CE2-CD2 3.51Å; F424-F448 HydrophobicContact CE2-CD2 3.51Å; F424-F448 AromaticContact CE2-CE2 3.72Å; F424-F448 HydrophobicContact CE2-CE2 3.72Å; F424-F448 AromaticContact CE2-CG 3.94Å; F424-F448 HydrophobicContact CE2-CG 3.94Å; F424-F448 HydrophobicContact CE2-CZ 4.33Å; F424-F448 HydrophobicContact CZ-CB 3.99Å; F424-F448 AromaticContact CZ-CD2 3.71Å; F424-F448 HydrophobicContact CZ-CD2 3.71Å; F424-F448 HydrophobicContact CZ-CE2 4.39Å; F424-F448 AromaticContact CZ-CG 3.95Å; F424-F448 HydrophobicContact CZ-CG 3.95Å; F448-M467 WeakPolarHBondContact CE2-O 3.48Å; F448-L469 HydrophobicContact CE1-CB 4.29Å; F448-L469 HydrophobicContact CE1-CD1 3.61Å; F448-L469 HydrophobicContact CE2-CB 4.25Å; F448-L469 HydrophobicContact CZ-CB 3.66Å; F448-L469 HydrophobicContact CZ-CD1 3.84Å; F448-L469 HydrophobicContact CZ-CG 4.43Å
449R96.5Very high94.6Very high50 Ų5038.6 Ų38.619%0.18920%0.199CC..EExtended strand (participates in β ladder)trans-124.4137.5175.8-59.2-157.7173.1-167.3-5112.3T334 D336 L339 G345 L443 W445T334-R449 WeakPolarHBondContact O-CA 3.26Å; D336-R449 HydrophobicContact CB-CB 4.02Å; D336-R449 WeakPolarHBondContact OD2-CD 3.42Å; D336-R449 IonicContact OD2-CZ 2.75Å; D336-R449 IonicContact OD2-NE 2.72Å; D336-R449 IonicContact OD2-NH1 3.02Å; D336-R449 PolarHBondContact OD2-NH1 3.46Å; L339-R449 HydrophobicContact CD1-CB 3.78Å; G345-R449 PolarHBondContact N-O 3.28Å; G345-R449 PolarHBondContact O-N 3.17Å; L443-R449 HydrophobicContact CD1-CB 4.25Å; L443-R449 HydrophobicContact CD1-CG 4.13Å; W445-R449 VanDerWaalsContact CE3-NH2 3.35Å
450L94.5Very high94.2Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-141.8153.2179.461.4120.4000112.8I333 T334 D336 F424 V454 T455 F462I333-L450 HydrophobicContact CB-CD2 3.78Å; I333-L450 HydrophobicContact CD1-CD2 4.11Å; I333-L450 HydrophobicContact CG2-CD2 3.64Å; T334-L450 PolarHBondContact O-N 2.73Å; D336-L450 PolarHBondContact N-O 2.54Å; F424-L450 HydrophobicContact CE1-CD2 4.18Å; L450-V454 HydrophobicContact CD1-CB 4.28Å; L450-T455 HydrophobicContact CD1-CG2 4.21Å; L450-F462 HydrophobicContact CD1-CE1 4.23Å; L450-F462 HydrophobicContact CD1-CZ 4.05Å; L450-F462 HydrophobicContact CD2-CE1 4.01Å; L450-F462 HydrophobicContact CG-CE1 3.98Å; L450-F462 HydrophobicContact CG-CZ 4.15Å
451N95.5Very high93.5Very high1 Ų136.4 Ų36.41%0.00520%0.196CC..  trans-65138.3175.4-178.9-72.1000111.6L339 S453 V454 Q614L339-N451 PolarHBondContact O-ND2 3.05Å; N451-S453 VanDerWaalsContact C-N 3.3Å; N451-S453 PolarHBondContact O-N 3.45Å; N451-S453 PolarHBondContact OD1-N 3.32Å; N451-V454 HydrophobicContact CB-CG2 4.1Å; N451-V454 WeakPolarHBondContact O-CB 3.39Å; N451-V454 WeakPolarHBondContact O-CG2 3.15Å; N451-V454 PolarHBondContact O-N 3.18Å; N451-V454 VanDerWaalsContact O-N 3.09Å; N451-Q614 PolarHBondContact ND2-OE1 3.05Å; N451-Q614 PolarHBondContact OD1-NE2 2.93Å; N451-Q614 PolarHBondContact OD1-OE1 3.39Å
452L94.9Very high93.2Very high16 Ų1634.6 Ų34.68%0.08419%0.188CC..G310 helixtrans-63.4-29.4-170.6-74.377000114P335 P337 V454 T455 V504P335-L452 HydrophobicContact CB-CD1 3.97Å; P335-L452 HydrophobicContact CB-CG 4.19Å; P337-L452 HydrophobicContact CB-CD1 3.98Å; L452-V454 PolarHBondContact O-N 3.14Å; L452-T455 WeakPolarHBondContact O-CB 3.37Å; L452-T455 WeakPolarHBondContact O-CG2 3.25Å; L452-T455 PolarHBondContact O-N 3.46Å; L452-T455 PolarHBondContact O-OG1 3.02Å; L452-V504 HydrophobicContact CB-CG2 4.5Å
453S94.8Very high92.8Very high0 Ų037.1 Ų37.10%020%0.201CC..G310 helixtrans-64.8-20.4178-68.80000113N451 G502 Q614N451-S453 VanDerWaalsContact C-N 3.3Å; N451-S453 PolarHBondContact O-N 3.45Å; N451-S453 PolarHBondContact OD1-N 3.32Å; S453-G502 PolarHBondContact OG-O 3.07Å; S453-Q614 PolarHBondContact OG-NE2 2.88Å
454V94.5Very high92.5Very high0 Ų037.7 Ų37.70%021%0.214CC..G310 helixtrans-86.2-8.6-179.1-157.20000112.3L341 M436 L450 N451 L452 T456 P457 Y458 I487L341-V454 HydrophobicContact CD1-CG2 3.75Å; L341-V454 HydrophobicContact CG-CG2 4.28Å; L341-V454 VanDerWaalsContact O-CG2 3.26Å; L341-V454 WeakPolarHBondContact O-CG2 3.43Å; M436-V454 HydrophobicContact CE-CG1 3.51Å; L450-V454 HydrophobicContact CD1-CB 4.28Å; N451-V454 HydrophobicContact CB-CG2 4.1Å; N451-V454 WeakPolarHBondContact O-CB 3.39Å; N451-V454 WeakPolarHBondContact O-CG2 3.15Å; N451-V454 PolarHBondContact O-N 3.18Å; N451-V454 VanDerWaalsContact O-N 3.09Å; L452-V454 PolarHBondContact O-N 3.14Å; V454-T456 VanDerWaalsContact C-N 3.31Å; V454-T456 PolarHBondContact O-N 3.43Å; V454-P457 HydrophobicContact CG1-CG 4.29Å; V454-P457 VanDerWaalsContact O-CD 3.31Å; V454-P457 WeakPolarHBondContact O-CD 3.43Å; V454-P457 WeakPolarHBondContact O-CG 3.3Å; V454-Y458 HydrophobicContact CG1-CD2 3.9Å; V454-Y458 HydrophobicContact CG1-CE2 3.56Å; V454-Y458 VanDerWaalsContact O-CD2 3.29Å; V454-Y458 WeakPolarHBondContact O-CD2 3.36Å; V454-I487 HydrophobicContact CG1-CD1 3.66Å; V454-I487 HydrophobicContact CG1-CG1 4.49Å; V454-I487 HydrophobicContact CG2-CD1 4.24Å
455T93.1Very high92.4Very high7 Ų734 Ų344%0.04319%0.189CC..Hα-helixtrans-58.4-41.7175.3540000112.6L450 L452 Y458 N459 A460 F462L450-T455 HydrophobicContact CD1-CG2 4.21Å; L452-T455 WeakPolarHBondContact O-CB 3.37Å; L452-T455 WeakPolarHBondContact O-CG2 3.25Å; L452-T455 PolarHBondContact O-N 3.46Å; L452-T455 PolarHBondContact O-OG1 3.02Å; T455-Y458 CarbonylContact O-C 3.53Å; T455-Y458 PolarHBondContact O-N 2.92Å; T455-N459 WeakPolarHBondContact O-CA 3.2Å; T455-N459 PolarHBondContact O-N 3.05Å; T455-A460 WeakPolarHBondContact CB-O 3.34Å; T455-A460 PolarHBondContact O-N 3.46Å; T455-F462 HydrophobicContact CG2-CD2 4.46Å; T455-F462 HydrophobicContact CG2-CE2 3.42Å; T455-F462 VanDerWaalsContact CG2-CE2 3.42Å; T455-F462 HydrophobicContact CG2-CZ 3.51Å
456T91.1Very high92.4Very high58 Ų5831.7 Ų31.736%0.35618%0.184SC..Hα-helixtrans-57.6-56.1-176.7-52.80000113.4V454 Y458 N459 V500V454-T456 VanDerWaalsContact C-N 3.31Å; V454-T456 PolarHBondContact O-N 3.43Å; T456-Y458 VanDerWaalsContact C-N 3.26Å; T456-Y458 PolarHBondContact O-N 3.43Å; T456-N459 PolarHBondContact O-N 3.19Å; T456-V500 WeakPolarHBondContact CG2-O 3.47Å
457P92.2Very high92.5Very high11 Ų1127.6 Ų27.67%0.07116%0.155CC..Hα-helixtrans-65-21.7178.422.3-33.9000115.5M433 S434 M436 V454 V500 M501M433-P457 HydrophobicContact CB-CB 3.64Å; S434-P457 PolarHBondContact OG-O 3.34Å; M436-P457 HydrophobicContact CE-CB 4.13Å; M436-P457 HydrophobicContact CE-CG 3.81Å; V454-P457 HydrophobicContact CG1-CG 4.29Å; V454-P457 VanDerWaalsContact O-CD 3.31Å; V454-P457 WeakPolarHBondContact O-CD 3.43Å; V454-P457 WeakPolarHBondContact O-CG 3.3Å; P457-V500 HydrophobicContact CB-CG1 4.26Å; P457-V500 HydrophobicContact CB-CG2 4.17Å; P457-M501 HydrophobicContact CG-CE 4.25Å; P457-M501 HydrophobicContact CG-CG 4.03Å
458Y92.7Very high92.5Very high3 Ų326.7 Ų26.71%0.01215%0.149CC..Hα-helixtrans-88.7-9.5171-68-56.5000113.4F424 R426 S434 M436 H438 V454 T455 T456 A460 M467F424-Y458 HydrophobicContact CD1-CE2 4.24Å; F424-Y458 WeakPolarHBondContact O-CE1 3.48Å; F424-Y458 PolarHBondContact O-OH 3.38Å; R426-Y458 HydrophobicContact CB-CD1 4.16Å; R426-Y458 WeakPolarHBondContact CD-O 3.3Å; R426-Y458 PolarHBondContact NH1-O 3.48Å; S434-Y458 WeakPolarHBondContact O-CE1 3.42Å; M436-Y458 HydrophobicContact CE-CD2 4.3Å; M436-Y458 HydrophobicContact CE-CE1 4.16Å; M436-Y458 HydrophobicContact CE-CE2 3.67Å; H438-Y458 AromaticContact NE2-CE2 3.93Å; H438-Y458 AromaticContact NE2-CZ 3.86Å; H438-Y458 PolarHBondContact NE2-OH 3.35Å; V454-Y458 HydrophobicContact CG1-CD2 3.9Å; V454-Y458 HydrophobicContact CG1-CE2 3.56Å; V454-Y458 VanDerWaalsContact O-CD2 3.29Å; V454-Y458 WeakPolarHBondContact O-CD2 3.36Å; T455-Y458 CarbonylContact O-C 3.53Å; T455-Y458 PolarHBondContact O-N 2.92Å; T456-Y458 VanDerWaalsContact C-N 3.26Å; T456-Y458 PolarHBondContact O-N 3.43Å; Y458-A460 PolarHBondContact O-N 3.01Å; Y458-M467 HydrophobicContact CD1-CE 3.44Å; Y458-M467 VanDerWaalsContact CD1-CE 3.44Å; Y458-M467 HydrophobicContact CD2-CE 3.62Å; Y458-M467 HydrophobicContact CD2-SD 4.35Å; Y458-M467 HydrophobicContact CE1-CE 3.5Å; Y458-M467 HydrophobicContact CE2-CE 3.67Å; Y458-M467 HydrophobicContact CG-CE 3.51Å; Y458-M467 HydrophobicContact CG-SD 4.27Å
459N88.3Confident92.4Very high87 Ų8726.7 Ų26.747%0.46515%0.149SC..THydrogen-bonded Turntrans52.537.8-170.3-164.524.9000113.3R426 T455 T456R426-N459 VanDerWaalsContact CZ-O 3.27Å; R426-N459 PolarHBondContact NH1-O 3.11Å; R426-N459 PolarHBondContact NH2-O 3.23Å; T455-N459 WeakPolarHBondContact O-CA 3.2Å; T455-N459 PolarHBondContact O-N 3.05Å; T456-N459 PolarHBondContact O-N 3.19Å
460A88.8Confident92.3Very high10 Ų1026.3 Ų26.38%0.08315%0.149CC..  trans-102.6149-16900000112.7I333 T455 Y458 D465I333-A460 HydrophobicContact CD1-CB 3.82Å; T455-A460 WeakPolarHBondContact CB-O 3.34Å; T455-A460 PolarHBondContact O-N 3.46Å; Y458-A460 PolarHBondContact O-N 3.01Å; A460-D465 VanDerWaalsContact CA-OD2 3.28Å; A460-D465 WeakPolarHBondContact CA-OD2 3.29Å; A460-D465 WeakPolarHBondContact CB-OD2 3.34Å
461D84.1Confident92.4Very high40 Ų4026.9 Ų26.921%0.21415%0.152CC..  trans-133.9-4-169.457.824.9000116D463 D465 T1696D461-D463 PolarHBondContact OD1-N 3.38Å; D461-D463 VanDerWaalsContact OD1-N 3.13Å; D461-D465 PolarHBondContact N-OD2 3.12Å; D461-T1696 HydrophobicContact CB-CG2 3.8Å; D461-T1696 WeakPolarHBondContact OD2-CB 3.33Å; D461-T1696 WeakPolarHBondContact OD2-CG2 3.49Å; D461-T1696 PolarHBondContact OD2-OG1 2.89Å
462F90Very high92.3Very high40 Ų4027.6 Ų27.618%0.17516%0.157CC..SBendtrans66.821.9179.8-46.8-74.8000116.1I333 P335 L450 T455 G464I333-F462 HydrophobicContact CB-CD1 4.16Å; I333-F462 HydrophobicContact CB-CE1 4.27Å; I333-F462 HydrophobicContact CD1-CD1 3.65Å; I333-F462 HydrophobicContact CD1-CE1 3.83Å; I333-F462 HydrophobicContact CG1-CD1 3.83Å; I333-F462 HydrophobicContact CG1-CE1 4.27Å; P335-F462 HydrophobicContact CB-CD2 4.18Å; P335-F462 HydrophobicContact CB-CE1 4.26Å; P335-F462 HydrophobicContact CB-CE2 3.69Å; P335-F462 HydrophobicContact CB-CZ 3.73Å; P335-F462 HydrophobicContact CG-CD2 4.25Å; P335-F462 HydrophobicContact CG-CE2 4.27Å; P335-F462 HydrophobicContact CG-CG 4.47Å; L450-F462 HydrophobicContact CD1-CE1 4.23Å; L450-F462 HydrophobicContact CD1-CZ 4.05Å; L450-F462 HydrophobicContact CD2-CE1 4.01Å; L450-F462 HydrophobicContact CG-CE1 3.98Å; L450-F462 HydrophobicContact CG-CZ 4.15Å; T455-F462 HydrophobicContact CG2-CD2 4.46Å; T455-F462 HydrophobicContact CG2-CE2 3.42Å; T455-F462 VanDerWaalsContact CG2-CE2 3.42Å; T455-F462 HydrophobicContact CG2-CZ 3.51Å; F462-G464 PolarHBondContact O-N 3.21Å
463D88.8Confident92.3Very high75 Ų7529.3 Ų29.340%0.40116%0.164SC..SBendtrans-76-5.2179.771.512.7000115.7D461 D465 P1695D461-D463 PolarHBondContact OD1-N 3.38Å; D461-D463 VanDerWaalsContact OD1-N 3.13Å; D463-D465 PolarHBondContact OD1-N 3.45Å; D463-P1695 WeakPolarHBondContact OD2-CD 3.39Å; D463-P1695 WeakPolarHBondContact OD2-CG 3.03Å
464G88.7Confident92.1Very high43 Ų4334.6 Ų34.644%0.44319%0.191SC..SBendtrans142-12.2-16500000112.5F462F462-G464 PolarHBondContact O-N 3.21Å
465D90.6Very high91.9Very high22 Ų2241.6 Ų41.612%0.11823%0.227CC..  trans-30.8128169.9-113.7-16.5000115.6V332 I333 R426 A460 D461 D463V332-D465 WeakPolarHBondContact CA-O 3.19Å; I333-D465 HydrophobicContact CD1-CB 3.82Å; I333-D465 HydrophobicContact CG1-CB 3.73Å; I333-D465 WeakPolarHBondContact CG1-O 3.42Å; I333-D465 PolarHBondContact N-O 3.17Å; R426-D465 IonicContact CZ-OD1 3.17Å; R426-D465 IonicContact CZ-OD2 3.88Å; R426-D465 VanDerWaalsContact CZ-OD2 3.23Å; R426-D465 IonicContact NE-OD1 3.62Å; R426-D465 PolarHBondContact NE-OD1 3.12Å; R426-D465 IonicContact NE-OD2 3.94Å; R426-D465 PolarHBondContact NE-OD2 3.26Å; R426-D465 VanDerWaalsContact NH2-CG 3.26Å; R426-D465 IonicContact NH2-OD1 3.88Å; R426-D465 PolarHBondContact NH2-OD1 3.27Å; R426-D465 IonicContact NH2-OD2 2.77Å; R426-D465 PolarHBondContact NH2-OD2 3.41Å; A460-D465 VanDerWaalsContact CA-OD2 3.28Å; A460-D465 WeakPolarHBondContact CA-OD2 3.29Å; A460-D465 WeakPolarHBondContact CB-OD2 3.34Å; D461-D465 PolarHBondContact N-OD2 3.12Å; D463-D465 PolarHBondContact OD1-N 3.45Å
466E94.3Very high91.8Very high81 Ų8147.9 Ų47.938%0.37926%0.256SS..EExtended strand (participates in β ladder)trans-114.7136.4173.7-67-171.9121.200111.3R330 V332R330-E466 HydrophobicContact CG-CB 4.27Å; R330-E466 IonicContact CZ-OE2 3.98Å; R330-E466 IonicContact NE-OE1 2.7Å; R330-E466 IonicContact NE-OE2 3.04Å; R330-E466 PolarHBondContact NE-OE2 3.03Å; R330-E466 IonicContact NH2-OE2 3.78Å; R330-E466 PolarHBondContact NH2-OE2 3.48Å; V332-E466 HydrophobicContact CG2-CG 4.06Å
467M95.5Very high91.8Very high0 Ų046.9 Ų46.90%025%0.25CC..EExtended strand (participates in β ladder)trans-125.9156.5178.1-74-177.465.600111.7R330 T331 I333 F424 N425 R426 F448 Y458R330-M467 WeakPolarHBondContact CA-O 3.49Å; T331-M467 PolarHBondContact O-N 3.21Å; I333-M467 HydrophobicContact CD1-SD 4.04Å; I333-M467 HydrophobicContact CG2-CB 3.87Å; I333-M467 HydrophobicContact CG2-CG 3.96Å; I333-M467 HydrophobicContact CG2-SD 3.85Å; F424-M467 HydrophobicContact CD1-CE 3.34Å; F424-M467 HydrophobicContact CD1-SD 4.35Å; F424-M467 HydrophobicContact CE1-CB 3.89Å; F424-M467 HydrophobicContact CE1-CE 3.25Å; F424-M467 HydrophobicContact CE1-CG 4.39Å; F424-M467 HydrophobicContact CE1-SD 3.65Å; F424-M467 HydrophobicContact CE2-CB 3.75Å; F424-M467 HydrophobicContact CG-CE 4.13Å; F424-M467 HydrophobicContact CZ-CB 3.35Å; F424-M467 HydrophobicContact CZ-CE 3.99Å; F424-M467 HydrophobicContact CZ-CG 4.29Å; F424-M467 HydrophobicContact CZ-SD 4.1Å; N425-M467 VanDerWaalsContact C-CE 3.49Å; N425-M467 WeakPolarHBondContact O-CA 3.43Å; N425-M467 WeakPolarHBondContact O-CB 3.44Å; R426-M467 HydrophobicContact CB-CE 3.96Å; R426-M467 HydrophobicContact CB-CG 3.87Å; R426-M467 HydrophobicContact CB-SD 4.09Å; R426-M467 HydrophobicContact CG-CG 4.09Å; F448-M467 WeakPolarHBondContact CE2-O 3.48Å; Y458-M467 HydrophobicContact CD1-CE 3.44Å; Y458-M467 VanDerWaalsContact CD1-CE 3.44Å; Y458-M467 HydrophobicContact CD2-CE 3.62Å; Y458-M467 HydrophobicContact CD2-SD 4.35Å; Y458-M467 HydrophobicContact CE1-CE 3.5Å; Y458-M467 HydrophobicContact CE2-CE 3.67Å; Y458-M467 HydrophobicContact CG-CE 3.51Å; Y458-M467 HydrophobicContact CG-SD 4.27Å
468N95.4Very high91.8Very high16 Ų1649.2 Ų49.29%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-111.3138.8-176.6-24.1-92.6000110.9A329 R330 F424 N425 Q427A329-N468 CarbonylContact O-C 3.55Å; A329-N468 VanDerWaalsContact O-CA 3.31Å; A329-N468 WeakPolarHBondContact O-CA 3.42Å; R330-N468 WeakPolarHBondContact CD-OD1 3.44Å; R330-N468 PolarHBondContact NH1-OD1 2.86Å; F424-N468 WeakPolarHBondContact CA-O 3.44Å; F424-N468 VanDerWaalsContact CD2-O 3.24Å; F424-N468 WeakPolarHBondContact CD2-O 3.4Å; N425-N468 PolarHBondContact N-O 3.15Å; N425-N468 PolarHBondContact O-N 2.61Å; N425-N468 WeakPolarHBondContact OD1-CB 3.38Å; N425-N468 PolarHBondContact OD1-ND2 2.99Å; N425-N468 PolarHBondContact OD1-O 3.1Å; Q427-N468 PolarHBondContact NE2-ND2 3.48Å
469L95.7Very high91.9Very high0 Ų051.4 Ų51.40%028%0.277CS..EExtended strand (participates in β ladder)trans-108133.9176.2-178166.7000108.3S328 A329 L344 V346 L354 V422 I423 F424 F448S328-L469 CarbonylContact C-O 2.98Å; S328-L469 WeakPolarHBondContact CA-O 3.17Å; S328-L469 VanDerWaalsContact CB-O 3.25Å; S328-L469 WeakPolarHBondContact CB-O 3.41Å; A329-L469 PolarHBondContact N-O 3Å; A329-L469 PolarHBondContact O-N 3.48Å; L344-L469 HydrophobicContact CD2-CD1 3.8Å; L344-L469 HydrophobicContact CD2-CG 4.4Å; V346-L469 HydrophobicContact CG1-CD1 4.45Å; V346-L469 HydrophobicContact CG2-CD1 3.74Å; L354-L469 HydrophobicContact CD1-CD2 3.76Å; V422-L469 HydrophobicContact CB-CD1 4.48Å; V422-L469 HydrophobicContact CB-CD2 4.03Å; V422-L469 HydrophobicContact CB-CG 4Å; V422-L469 HydrophobicContact CG1-CD1 4.44Å; V422-L469 HydrophobicContact CG1-CD2 3.81Å; V422-L469 HydrophobicContact CG1-CG 4.21Å; V422-L469 HydrophobicContact CG2-CD1 4.24Å; V422-L469 HydrophobicContact CG2-CG 4.15Å; I423-L469 CarbonylContact O-C 3.51Å; I423-L469 WeakPolarHBondContact O-CA 3.44Å; F424-L469 HydrophobicContact CD2-CB 3.99Å; F424-L469 HydrophobicContact CE2-CB 4.34Å; F448-L469 HydrophobicContact CE1-CB 4.29Å; F448-L469 HydrophobicContact CE1-CD1 3.61Å; F448-L469 HydrophobicContact CE2-CB 4.25Å; F448-L469 HydrophobicContact CZ-CB 3.66Å; F448-L469 HydrophobicContact CZ-CD1 3.84Å; F448-L469 HydrophobicContact CZ-CG 4.43Å
470H95.8Very high92.1Very high42 Ų4250.6 Ų50.619%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-123.2131.3172.6-56.7-84.2000109.8S328 I423 P472S328-H470 WeakPolarHBondContact CB-ND1 3.47Å; I423-H470 HydrophobicContact CB-CB 4.38Å; I423-H470 PolarHBondContact N-O 3.31Å; I423-H470 PolarHBondContact O-N 3.25Å; H470-P472 WeakPolarHBondContact O-CD 2.98Å
471L95.6Very high92.3Very high12 Ų1250.3 Ų50.36%0.06327%0.268CS..  trans-103.4112.5-175.3176.758.9000111.5F327 L354 T355 V356 L416 V422 Q473F327-L471 HydrophobicContact CB-CB 4.43Å; F327-L471 PolarHBondContact O-N 2.87Å; L354-L471 HydrophobicContact CB-CD2 3.91Å; T355-L471 WeakPolarHBondContact O-CD2 3.26Å; V356-L471 HydrophobicContact CG2-CD1 4.02Å; V356-L471 HydrophobicContact CG2-CD2 3.96Å; V356-L471 HydrophobicContact CG2-CG 4.35Å; L416-L471 HydrophobicContact CD1-CD1 3.55Å; L416-L471 HydrophobicContact CD1-CD2 3.98Å; L416-L471 HydrophobicContact CD1-CG 4.41Å; V422-L471 HydrophobicContact CG1-CD1 3.83Å; L471-Q473 PolarHBondContact O-N 3.15Å; L471-Q473 PolarHBondContact O-NE2 2.82Å
472P94.2Very high92.8Very high16 Ų1652.3 Ų52.310%0.10428%0.276CS..  trans-54.8128.3172.1-2635.7000111.9V421 I423 H470 T477 K478 V481V421-P472 WeakPolarHBondContact O-CD 3.32Å; I423-P472 HydrophobicContact CG1-CG 4.48Å; H470-P472 WeakPolarHBondContact O-CD 2.98Å; P472-T477 HydrophobicContact CB-CG2 4.2Å; P472-K478 HydrophobicContact CB-CB 4.36Å; P472-V481 HydrophobicContact CG-CG2 4Å
473Q93.1Very high92.9Very high52 Ų5254.6 Ų54.624%0.24329%0.288CS..  trans-96.7-25.5-177.6-67.3-64.7-68.700113.3F327 T355 P357 L471F327-Q473 HydrophobicContact CB-CG 4.3Å; F327-Q473 VanDerWaalsContact CD1-CD 3.44Å; F327-Q473 HydrophobicContact CD1-CG 4.32Å; F327-Q473 HydrophobicContact CD2-CG 3.81Å; F327-Q473 VanDerWaalsContact CE1-OE1 3.28Å; F327-Q473 HydrophobicContact CE2-CG 4.2Å; F327-Q473 VanDerWaalsContact CG-CD 3.49Å; F327-Q473 HydrophobicContact CG-CG 3.88Å; T355-Q473 PolarHBondContact O-NE2 2.64Å; P357-Q473 VanDerWaalsContact CD-OE1 3.31Å; P357-Q473 WeakPolarHBondContact CG-O 3.46Å; L471-Q473 PolarHBondContact O-N 3.15Å; L471-Q473 PolarHBondContact O-NE2 2.82Å
474M90.6Very high93Very high112 Ų11252.3 Ų52.355%0.55228%0.275SS*.SBendtrans-101.5144.3178.4-61.7-63.4-72.300110.3E476 T477 K478M474-E476 VanDerWaalsContact C-N 3.27Å; M474-E476 PolarHBondContact O-N 2.63Å; M474-T477 PolarHBondContact O-N 2.73Å; M474-K478 PolarHBondContact O-N 2.93Å
475L90.5Very high93.2Very high146 Ų14651.3 Ų51.376%0.76426%0.261SS*.Hα-helixtrans-61.8-36.4177-175.961.8000112.1K478 A479L475-K478 HydrophobicContact CD1-CD 4.49Å; L475-K478 WeakPolarHBondContact O-CB 3.49Å; L475-K478 PolarHBondContact O-N 3.45Å; L475-A479 PolarHBondContact O-N 3.15Å
476E90.8Very high93.4Very high139 Ų13950.9 Ų50.965%0.6526%0.258SS*.Hα-helixtrans-56.4-54.1172-179.5179.1-153.300111.7M474 K478 A479 E480M474-E476 VanDerWaalsContact C-N 3.27Å; M474-E476 PolarHBondContact O-N 2.63Å; E476-K478 VanDerWaalsContact C-N 3.28Å; E476-K478 PolarHBondContact O-N 2.94Å; E476-A479 PolarHBondContact O-N 3.04Å; E476-A479 VanDerWaalsContact O-N 3.14Å; E476-E480 PolarHBondContact O-N 2.66Å
477T91.7Very high93.4Very high38 Ų3847 Ų4723%0.23324%0.24CC..Hα-helixtrans-64.6-30.3176.4-43.50000112.5P472 M474 V481P472-T477 HydrophobicContact CB-CG2 4.2Å; M474-T477 PolarHBondContact O-N 2.73Å; T477-V481 VanDerWaalsContact O-CG2 3.27Å; T477-V481 WeakPolarHBondContact O-CG2 3.49Å; T477-V481 PolarHBondContact O-N 3.43Å
478K93.4Very high93.4Very high60 Ų6047.1 Ų47.126%0.26124%0.241SC..Hα-helixtrans-64.9-45172.2179.8177.1175176.50111.1D420 V421 P472 M474 L475 E476 V481 Q482D420-K478 IonicContact OD1-NZ 3.56Å; V421-K478 HydrophobicContact CB-CG 4.3Å; P472-K478 HydrophobicContact CB-CB 4.36Å; M474-K478 PolarHBondContact O-N 2.93Å; L475-K478 HydrophobicContact CD1-CD 4.49Å; L475-K478 WeakPolarHBondContact O-CB 3.49Å; L475-K478 PolarHBondContact O-N 3.45Å; E476-K478 VanDerWaalsContact C-N 3.28Å; E476-K478 PolarHBondContact O-N 2.94Å; K478-V481 PolarHBondContact O-N 3.11Å; K478-Q482 WeakPolarHBondContact O-CB 3.24Å; K478-Q482 PolarHBondContact O-N 2.99Å
479A93.7Very high93.3Very high48 Ų4850.7 Ų50.740%0.39725%0.254SS..Hα-helixtrans-64.9-42.1175.600000111.6L475 E476 V481 Q482 E483L475-A479 PolarHBondContact O-N 3.15Å; E476-A479 PolarHBondContact O-N 3.04Å; E476-A479 VanDerWaalsContact O-N 3.14Å; A479-V481 PolarHBondContact O-N 3.31Å; A479-Q482 PolarHBondContact O-N 3.06Å; A479-E483 PolarHBondContact O-N 3.4Å
480E92.9Very high93.2Very high70 Ų7050.9 Ų50.933%0.32725%0.254SS..Hα-helixtrans-57.8-45174.3-173176.1-13000111.8E476 Q482 L484 T1410E476-E480 PolarHBondContact O-N 2.66Å; E480-Q482 PolarHBondContact O-N 3.36Å; E480-L484 HydrophobicContact CG-CD1 3.59Å; E480-L484 HydrophobicContact CG-CG 4.31Å; E480-L484 WeakPolarHBondContact O-CB 3.41Å; E480-L484 WeakPolarHBondContact O-CG 3.48Å; E480-L484 PolarHBondContact O-N 3.09Å; E480-T1410 PolarHBondContact OE1-OG1 3.09Å
481V93.5Very high93.2Very high5 Ų548.9 Ų48.93%0.0325%0.245CC..Iπ-helixtrans-64.9-39.3176.4171.10000112.1V421 I423 P472 T477 K478 A479 C485 M486V421-V481 HydrophobicContact CG1-CB 4.26Å; V421-V481 HydrophobicContact CG1-CG1 3.51Å; I423-V481 HydrophobicContact CD1-CG2 3.59Å; I423-V481 HydrophobicContact CG1-CB 4.46Å; I423-V481 HydrophobicContact CG1-CG1 3.94Å; I423-V481 HydrophobicContact CG1-CG2 3.57Å; P472-V481 HydrophobicContact CG-CG2 4Å; T477-V481 VanDerWaalsContact O-CG2 3.27Å; T477-V481 WeakPolarHBondContact O-CG2 3.49Å; T477-V481 PolarHBondContact O-N 3.43Å; K478-V481 PolarHBondContact O-N 3.11Å; A479-V481 PolarHBondContact O-N 3.31Å; V481-C485 PolarHBondContact O-N 3.36Å; V481-C485 VanDerWaalsContact O-N 3.14Å; V481-C485 PolarHBondContact O-SG 3.5Å; V481-M486 PolarHBondContact O-N 3.32Å; V481-M486 VanDerWaalsContact O-N 3.09Å
482Q93.5Very high93.1Very high82 Ų8249 Ų4938%0.38325%0.245SC..Iπ-helixtrans-71.7-46.3-177.9-171.4-176.2-72.700112.9K478 A479 E480 M486K478-Q482 WeakPolarHBondContact O-CB 3.24Å; K478-Q482 PolarHBondContact O-N 2.99Å; A479-Q482 PolarHBondContact O-N 3.06Å; E480-Q482 PolarHBondContact O-N 3.36Å; Q482-M486 WeakPolarHBondContact O-CB 3.22Å
483E92.7Very high93Very high88 Ų8848.3 Ų48.341%0.41124%0.241SC..Iπ-helixtrans-85.5-17.4-176.5-58.2-45.7134.800113.4A479 R489A479-E483 PolarHBondContact O-N 3.4Å; E483-R489 WeakPolarHBondContact O-CD 3.21Å; E483-R489 VanDerWaalsContact O-CZ 3.26Å; E483-R489 PolarHBondContact O-NE 3.45Å; E483-R489 VanDerWaalsContact O-NE 3.09Å; E483-R489 IonicContact OE2-CZ 2.88Å; E483-R489 IonicContact OE2-NE 3.21Å; E483-R489 IonicContact OE2-NH2 2.86Å; E483-R489 PolarHBondContact OE2-NH2 3.39Å
484L91.4Very high93.1Very high26 Ų2645.9 Ų45.914%0.13623%0.23CC..Iπ-helixtrans-102.1-80.3174.5-52.2-175.9000111.9E480 M486 M490 F1653 P1655E480-L484 HydrophobicContact CG-CD1 3.59Å; E480-L484 HydrophobicContact CG-CG 4.31Å; E480-L484 WeakPolarHBondContact O-CB 3.41Å; E480-L484 WeakPolarHBondContact O-CG 3.48Å; E480-L484 PolarHBondContact O-N 3.09Å; L484-M486 PolarHBondContact O-N 3.48Å; L484-M490 WeakPolarHBondContact O-CE 3.46Å; L484-F1653 HydrophobicContact CD1-CB 3.53Å; L484-F1653 HydrophobicContact CD1-CD2 3.76Å; L484-F1653 HydrophobicContact CD1-CG 3.95Å; L484-F1653 HydrophobicContact CD2-CB 3.61Å; L484-F1653 VanDerWaalsContact CD2-O 3.24Å; L484-F1653 WeakPolarHBondContact CD2-O 3.32Å; L484-F1653 HydrophobicContact CG-CB 4.23Å; L484-P1655 HydrophobicContact CB-CB 3.97Å; L484-P1655 HydrophobicContact CB-CG 3.8Å
485C91.9Very high93.1Very high22 Ų2241.2 Ų41.215%0.14921%0.207CC..Iπ-helixtrans-939.5-158.7700000115.4M436 G437 V481 M490 P1655M436-C485 WeakPolarHBondContact CA-O 3.41Å; G437-C485 PolarHBondContact N-O 2.98Å; V481-C485 PolarHBondContact O-N 3.36Å; V481-C485 VanDerWaalsContact O-N 3.14Å; V481-C485 PolarHBondContact O-SG 3.5Å; C485-M490 HydrophobicContact CB-SD 4.36Å; C485-M490 WeakPolarHBondContact O-CG 3.31Å; C485-P1655 HydrophobicContact CB-CB 4.15Å; C485-P1655 HydrophobicContact CB-CG 4.23Å
486M94.9Very high93.1Very high13 Ų1334.3 Ų34.36%0.06417%0.171CC..BIsolated β-bridgetrans-61.6136.3177.4-160.771.6-163.900111.8D342 V421 G437 H438 R439 V481 Q482 L484 P488 R489 M490D342-M486 HydrophobicContact CB-CE 4.17Å; V421-M486 HydrophobicContact CG1-SD 4.1Å; G437-M486 VanDerWaalsContact C-SD 3.56Å; H438-M486 VanDerWaalsContact C-CE 3.48Å; R439-M486 HydrophobicContact CB-CE 4.42Å; R439-M486 HydrophobicContact CG-CE 3.74Å; V481-M486 PolarHBondContact O-N 3.32Å; V481-M486 VanDerWaalsContact O-N 3.09Å; Q482-M486 WeakPolarHBondContact O-CB 3.22Å; L484-M486 PolarHBondContact O-N 3.48Å; M486-P488 VanDerWaalsContact C-CD 3.42Å; M486-P488 WeakPolarHBondContact O-CD 3.2Å; M486-P488 VanDerWaalsContact O-N 3.1Å; M486-R489 WeakPolarHBondContact O-CB 3.3Å; M486-R489 PolarHBondContact O-N 2.92Å; M486-M490 WeakPolarHBondContact O-CG 3.48Å; M486-M490 PolarHBondContact O-N 3.02Å
487I95.2Very high93.2Very high0 Ų027.8 Ų27.80%014%0.14CC..G310 helixtrans-43.7-45.4-171.4-89174.9000116.6L341 D342 M436 G437 H438 V454 R489 M490 I491 M501L341-I487 HydrophobicContact CD2-CG2 3.93Å; L341-I487 HydrophobicContact CG-CG2 3.74Å; D342-I487 HydrophobicContact CB-CB 3.95Å; D342-I487 HydrophobicContact CB-CG2 3.92Å; M436-I487 HydrophobicContact CB-CG1 3.84Å; M436-I487 HydrophobicContact CE-CD1 4.17Å; M436-I487 HydrophobicContact CE-CG1 3.92Å; M436-I487 HydrophobicContact CG-CG1 4.48Å; M436-I487 HydrophobicContact SD-CG1 3.92Å; G437-I487 PolarHBondContact O-N 2.86Å; H438-I487 WeakPolarHBondContact CE1-CD1 3.33Å; H438-I487 WeakPolarHBondContact NE2-CD1 3.47Å; V454-I487 HydrophobicContact CG1-CD1 3.66Å; V454-I487 HydrophobicContact CG1-CG1 4.49Å; V454-I487 HydrophobicContact CG2-CD1 4.24Å; I487-R489 VanDerWaalsContact C-N 3.33Å; I487-R489 PolarHBondContact O-N 3.11Å; I487-M490 WeakPolarHBondContact O-CA 3.18Å; I487-M490 WeakPolarHBondContact O-CB 3.25Å; I487-M490 PolarHBondContact O-N 3.5Å; I487-I491 PolarHBondContact O-N 3.16Å; I487-M501 HydrophobicContact CG1-CE 4.37Å; I487-M501 HydrophobicContact CG2-CE 4.11Å; I487-M501 HydrophobicContact CG2-SD 4.13Å
488P94.2Very high93.3Very high3 Ų330.1 Ų30.12%0.01915%0.145CC..G310 helixtrans-57.8-46.2-179.4-27.337.9000111.8D342 M486 M490 I491 F603 A607D342-P488 HydrophobicContact CB-CG 4.11Å; M486-P488 VanDerWaalsContact C-CD 3.42Å; M486-P488 WeakPolarHBondContact O-CD 3.2Å; M486-P488 VanDerWaalsContact O-N 3.1Å; P488-M490 PolarHBondContact O-N 3.46Å; P488-M490 VanDerWaalsContact O-N 3.09Å; P488-I491 WeakPolarHBondContact O-CD1 3.35Å; P488-I491 VanDerWaalsContact O-CG1 3.25Å; P488-I491 WeakPolarHBondContact O-CG1 3.48Å; P488-I491 PolarHBondContact O-N 2.85Å; P488-F603 HydrophobicContact CB-CB 4.08Å; P488-F603 HydrophobicContact CB-CD2 3.83Å; P488-F603 HydrophobicContact CB-CG 4.4Å; P488-F603 VanDerWaalsContact O-CB 3.31Å; P488-F603 WeakPolarHBondContact O-CB 3.27Å; P488-A607 HydrophobicContact CB-CB 3.88Å; P488-A607 HydrophobicContact CG-CB 3.83Å
489R93.7Very high93.3Very high91 Ų9127.3 Ų27.334%0.34313%0.133SC..G310 helixtrans-62.9-17.1176.6-62.5175.1173.4-83.910112.6E483 M486 I487 F603E483-R489 WeakPolarHBondContact O-CD 3.21Å; E483-R489 VanDerWaalsContact O-CZ 3.26Å; E483-R489 PolarHBondContact O-NE 3.45Å; E483-R489 VanDerWaalsContact O-NE 3.09Å; E483-R489 IonicContact OE2-CZ 2.88Å; E483-R489 IonicContact OE2-NE 3.21Å; E483-R489 IonicContact OE2-NH2 2.86Å; E483-R489 PolarHBondContact OE2-NH2 3.39Å; M486-R489 WeakPolarHBondContact O-CB 3.3Å; M486-R489 PolarHBondContact O-N 2.92Å; I487-R489 VanDerWaalsContact C-N 3.33Å; I487-R489 PolarHBondContact O-N 3.11Å; R489-F603 HydrophobicContact CG-CD1 4.17Å; R489-F603 HydrophobicContact CG-CD2 3.89Å; R489-F603 HydrophobicContact CG-CE1 4.12Å; R489-F603 HydrophobicContact CG-CE2 3.83Å; R489-F603 HydrophobicContact CG-CG 4.08Å; R489-F603 HydrophobicContact CG-CZ 3.95Å
490M93.8Very high93.3Very high3 Ų326 Ų262%0.01512%0.12CC..G310 helixtrans-95.31.7-178.8-53.8-63.788.200114.3K432 M433 M436 L484 C485 M486 I487 P488 L492 V500 M501 P1655K432-M490 HydrophobicContact CD-SD 4.42Å; K432-M490 WeakPolarHBondContact CE-SD 3.37Å; M433-M490 HydrophobicContact CE-CB 4.43Å; M433-M490 WeakPolarHBondContact CE-O 3.48Å; M433-M490 HydrophobicContact CG-CB 3.93Å; M436-M490 HydrophobicContact CB-CG 4.48Å; M436-M490 HydrophobicContact CG-CB 4.39Å; M436-M490 HydrophobicContact CG-CG 3.96Å; M436-M490 HydrophobicContact SD-CB 3.66Å; M436-M490 HydrophobicContact SD-CG 3.89Å; L484-M490 WeakPolarHBondContact O-CE 3.46Å; C485-M490 HydrophobicContact CB-SD 4.36Å; C485-M490 WeakPolarHBondContact O-CG 3.31Å; M486-M490 WeakPolarHBondContact O-CG 3.48Å; M486-M490 PolarHBondContact O-N 3.02Å; I487-M490 WeakPolarHBondContact O-CA 3.18Å; I487-M490 WeakPolarHBondContact O-CB 3.25Å; I487-M490 PolarHBondContact O-N 3.5Å; P488-M490 PolarHBondContact O-N 3.46Å; P488-M490 VanDerWaalsContact O-N 3.09Å; M490-L492 VanDerWaalsContact C-N 3.26Å; M490-L492 PolarHBondContact O-N 2.84Å; M490-V500 WeakPolarHBondContact O-CG1 3.42Å; M490-M501 HydrophobicContact CB-CE 3.94Å; M490-P1655 HydrophobicContact CE-CG 3.68Å; M490-P1655 HydrophobicContact SD-CG 4.16Å
491I94.8Very high93.4Very high0 Ų022.7 Ų22.70%010%0.104CC..SBendtrans-59.2-36.9-177.6-69.8167.9000111.7L341 I487 P488 P499 V500 M501 I594 T598 A606 A607 L610L341-I491 HydrophobicContact CD2-CD1 4.05Å; L341-I491 HydrophobicContact CD2-CG1 4.24Å; I487-I491 PolarHBondContact O-N 3.16Å; P488-I491 WeakPolarHBondContact O-CD1 3.35Å; P488-I491 VanDerWaalsContact O-CG1 3.25Å; P488-I491 WeakPolarHBondContact O-CG1 3.48Å; P488-I491 PolarHBondContact O-N 2.85Å; I491-P499 HydrophobicContact CG2-CB 4.45Å; I491-P499 CarbonylContact O-C 3.55Å; I491-P499 VanDerWaalsContact O-CA 3.24Å; I491-P499 WeakPolarHBondContact O-CA 3.34Å; I491-V500 PolarHBondContact O-N 2.79Å; I491-M501 HydrophobicContact CG1-SD 4.08Å; I491-I594 HydrophobicContact CG2-CG2 3.92Å; I491-T598 HydrophobicContact CG2-CG2 4.46Å; I491-A606 HydrophobicContact CD1-CB 3.82Å; I491-A607 HydrophobicContact CD1-CB 4.28Å; I491-L610 HydrophobicContact CD1-CD1 4.27Å
492L93.8Very high93.4Very high14 Ų1422.5 Ų22.57%0.07310%0.103CC..EExtended strand (participates in β ladder)trans-97.8139.4178.1-53.2-171.2000112M433 M490 P499 T598 L599M433-L492 WeakPolarHBondContact CE-O 3.27Å; M490-L492 VanDerWaalsContact C-N 3.26Å; M490-L492 PolarHBondContact O-N 2.84Å; L492-P499 HydrophobicContact CD2-CB 4.19Å; L492-P499 HydrophobicContact CD2-CG 3.92Å; L492-T598 HydrophobicContact CD1-CG2 3.95Å; L492-T598 HydrophobicContact CD2-CG2 4.18Å; L492-T598 HydrophobicContact CG-CG2 3.84Å; L492-L599 HydrophobicContact CD1-CD2 3.62Å; L492-L599 HydrophobicContact CD1-CG 3.96Å
493T93.7Very high93.5Very high2 Ų218.7 Ų18.71%0.0129%0.085CC..EExtended strand (participates in β ladder)trans-108.5126.5174.9-176.30000112.7H431 Q495 N497 R498 V500H431-T493 PolarHBondContact CE1-OG1 2.9Å; H431-T493 VanDerWaalsContact CE1-OG1 3.23Å; T493-Q495 HydrophobicContact CG2-CB 4.35Å; T493-Q495 PolarHBondContact O-N 3.49Å; T493-Q495 VanDerWaalsContact OG1-CB 3.32Å; T493-Q495 WeakPolarHBondContact OG1-CB 3.38Å; T493-Q495 PolarHBondContact OG1-N 3.22Å; T493-N497 PolarHBondContact O-N 3.25Å; T493-N497 VanDerWaalsContact O-N 3.08Å; T493-R498 PolarHBondContact N-O 3.28Å; T493-V500 HydrophobicContact CG2-CB 4.17Å
494P93.2Very high93.5Very high2 Ų215.9 Ų15.91%0.0138%0.075CC..G310 helixtrans-66.6-23.6175.226.2-33.2000113.1A496 A840 L1031 H1339 T1656P494-A496 PolarHBondContact O-N 2.76Å; P494-A496 VanDerWaalsContact O-N 3.13Å; P494-A840 HydrophobicContact CB-CB 4.06Å; P494-L1031 HydrophobicContact CB-CD2 4.33Å; P494-L1031 HydrophobicContact CG-CD1 3.86Å; P494-L1031 HydrophobicContact CG-CD2 4.11Å; P494-H1339 PolarHBondContact O-NE2 3.15Å; P494-T1656 HydrophobicContact CG-CG2 4.27Å
495Q91.9Very high93.6Very high14 Ų1417.8 Ų17.87%0.0658%0.083CC..G310 helixtrans-47-42.5176.4175.8-173.710.500112.9T493 S1035 E1038 V1335 N1336T493-Q495 HydrophobicContact CG2-CB 4.35Å; T493-Q495 PolarHBondContact O-N 3.49Å; T493-Q495 VanDerWaalsContact OG1-CB 3.32Å; T493-Q495 WeakPolarHBondContact OG1-CB 3.38Å; T493-Q495 PolarHBondContact OG1-N 3.22Å; Q495-S1035 PolarHBondContact NE2-O 3.5Å; Q495-E1038 PolarHBondContact NE2-OE2 2.96Å; Q495-V1335 CarbonylContact O-C 3.56Å; Q495-V1335 WeakPolarHBondContact O-CA 3.15Å; Q495-N1336 WeakPolarHBondContact O-CB 3.27Å; Q495-N1336 PolarHBondContact O-N 2.72Å
496A90.3Very high93.6Very high1 Ų121.3 Ų21.31%0.00810%0.1CC..G310 helixtrans-150.929.3-167.200000112P494 R498 Y1334P494-A496 PolarHBondContact O-N 2.76Å; P494-A496 VanDerWaalsContact O-N 3.13Å; A496-R498 VanDerWaalsContact C-N 3.28Å; A496-R498 HydrophobicContact CB-CG 4.44Å; A496-R498 WeakPolarHBondContact O-CB 3.15Å; A496-R498 WeakPolarHBondContact O-CD 3.3Å; A496-R498 WeakPolarHBondContact O-CG 3.19Å; A496-R498 PolarHBondContact O-N 2.92Å; A496-Y1334 HydrophobicContact CB-CD1 3.99Å; A496-Y1334 WeakPolarHBondContact CB-O 3.32Å
497N93Very high93.6Very high1 Ų120.8 Ų20.81%0.00510%0.098CC..THydrogen-bonded Turntrans35.848.6171.970.7-10.8000116.5T493 H595 G839 V842 V919 Y1334T493-N497 PolarHBondContact O-N 3.25Å; T493-N497 VanDerWaalsContact O-N 3.08Å; N497-H595 PolarHBondContact O-CE1 2.85Å; N497-H595 PolarHBondContact O-NE2 3.35Å; N497-G839 WeakPolarHBondContact CB-O 3.41Å; N497-V842 HydrophobicContact CB-CG2 4.09Å; N497-V842 WeakPolarHBondContact CB-O 3.33Å; N497-V919 VanDerWaalsContact ND2-CG1 3.26Å; N497-V919 WeakPolarHBondContact ND2-CG1 3.48Å; N497-Y1334 WeakPolarHBondContact OD1-CE1 3.39Å
498R93.4Very high93.6Very high88 Ų8821 Ų2133%0.33210%0.099SC..EExtended strand (participates in β ladder)trans-153.8168.3-17671.2-164.5173.283.90.5111.8T493 A496 T588T493-R498 PolarHBondContact N-O 3.28Å; A496-R498 VanDerWaalsContact C-N 3.28Å; A496-R498 HydrophobicContact CB-CG 4.44Å; A496-R498 WeakPolarHBondContact O-CB 3.15Å; A496-R498 WeakPolarHBondContact O-CD 3.3Å; A496-R498 WeakPolarHBondContact O-CG 3.19Å; A496-R498 PolarHBondContact O-N 2.92Å; R498-T588 WeakPolarHBondContact CD-O 3.47Å; R498-T588 PolarHBondContact NH1-O 2.85Å
499P94.7Very high93.6Very high0 Ų021 Ų210%010%0.099CC..EExtended strand (participates in β ladder)trans-65.3135.3172.6-19.333.7000111.7I491 L492 M501 T588 S589 I594 H595I491-P499 HydrophobicContact CG2-CB 4.45Å; I491-P499 CarbonylContact O-C 3.55Å; I491-P499 VanDerWaalsContact O-CA 3.24Å; I491-P499 WeakPolarHBondContact O-CA 3.34Å; L492-P499 HydrophobicContact CD2-CB 4.19Å; L492-P499 HydrophobicContact CD2-CG 3.92Å; P499-M501 WeakPolarHBondContact CB-O 3.43Å; P499-T588 WeakPolarHBondContact O-CA 3.36Å; P499-T588 WeakPolarHBondContact O-CB 3.48Å; P499-S589 WeakPolarHBondContact CD-O 3.02Å; P499-I594 HydrophobicContact CB-CG2 4.18Å; P499-I594 HydrophobicContact CG-CB 4.45Å; P499-I594 HydrophobicContact CG-CG2 4.29Å; P499-H595 HydrophobicContact CG-CB 3.74Å
500V93.1Very high93.7Very high21 Ų2116.7 Ų16.713%0.1278%0.083CC..SBendtrans-93.4-20.117072.80000112.1M433 T456 P457 M490 I491 T493 T588M433-V500 HydrophobicContact CE-CG1 4.41Å; M433-V500 HydrophobicContact CG-CG1 4.11Å; T456-V500 WeakPolarHBondContact CG2-O 3.47Å; P457-V500 HydrophobicContact CB-CG1 4.26Å; P457-V500 HydrophobicContact CB-CG2 4.17Å; M490-V500 WeakPolarHBondContact O-CG1 3.42Å; I491-V500 PolarHBondContact O-N 2.79Å; T493-V500 HydrophobicContact CG2-CB 4.17Å; V500-T588 WeakPolarHBondContact O-CG2 3.48Å
501M94.6Very high93.7Very high0 Ų016.6 Ų16.60%08%0.082CC..  trans-102.2147172.4-56.9-178-156.900110.1L341 M436 P457 I487 M490 I491 P499L341-M501 HydrophobicContact CD1-SD 4.32Å; L341-M501 HydrophobicContact CD2-SD 4.08Å; L341-M501 HydrophobicContact CG-SD 4.38Å; M436-M501 HydrophobicContact CE-CE 3.99Å; M436-M501 HydrophobicContact SD-CE 3.54Å; M436-M501 VanDerWaalsContact SD-CE 3.54Å; P457-M501 HydrophobicContact CG-CE 4.25Å; P457-M501 HydrophobicContact CG-CG 4.03Å; I487-M501 HydrophobicContact CG1-CE 4.37Å; I487-M501 HydrophobicContact CG2-CE 4.11Å; I487-M501 HydrophobicContact CG2-SD 4.13Å; M490-M501 HydrophobicContact CB-CE 3.94Å; I491-M501 HydrophobicContact CG1-SD 4.08Å; P499-M501 WeakPolarHBondContact CB-O 3.43Å
502G93.9Very high93.7Very high1 Ų118.7 Ų18.71%0.019%0.09CC..  trans-172174.717600000112.4S453 V504S453-G502 PolarHBondContact OG-O 3.07Å; G502-V504 PolarHBondContact O-N 3.5Å
503I95.8Very high93.7Very high2 Ų219.5 Ų19.51%0.019%0.093CC..  trans-72.6128.4179.2-54-60.8000109T507 L508 L586 L610 I613 Q614I503-T507 HydrophobicContact CG2-CG2 3.67Å; I503-L508 HydrophobicContact CB-CD1 4.43Å; I503-L508 HydrophobicContact CG2-CB 4.06Å; I503-L508 HydrophobicContact CG2-CD1 4.32Å; I503-L586 HydrophobicContact CB-CB 4.11Å; I503-L586 HydrophobicContact CG1-CB 4.13Å; I503-L586 PolarHBondContact N-O 2.73Å; I503-L610 HydrophobicContact CD1-CD2 3.68Å; I503-L610 HydrophobicContact CG1-CD2 4.17Å; I503-I613 HydrophobicContact CD1-CB 3.92Å; I503-I613 HydrophobicContact CD1-CD1 3.96Å; I503-I613 HydrophobicContact CD1-CG2 3.69Å; I503-I613 HydrophobicContact CG1-CD1 4.03Å; I503-I613 HydrophobicContact CG1-CG2 4.04Å; I503-Q614 HydrophobicContact CD1-CG 4.5Å
504V93.3Very high93.7Very high30 Ų3019.4 Ų19.418%0.1829%0.092CC..  trans-132170.4-172.7-68.60000111.5L452 G502 D506 L508L452-V504 HydrophobicContact CB-CG2 4.5Å; G502-V504 PolarHBondContact O-N 3.5Å; V504-D506 PolarHBondContact O-N 2.93Å; V504-L508 PolarHBondContact O-N 3.46Å
505Q91.7Very high93.7Very high65 Ų6519.3 Ų19.330%0.3049%0.092SC..Hα-helixtrans49.6-134.5170.5-56.2-176.10.200112.8T507 L508 T509 S715Q505-T507 VanDerWaalsContact C-N 3.35Å; Q505-T507 PolarHBondContact O-N 2.8Å; Q505-L508 WeakPolarHBondContact O-CB 3.47Å; Q505-L508 PolarHBondContact O-N 3.25Å; Q505-L508 VanDerWaalsContact O-N 3.09Å; Q505-T509 PolarHBondContact O-N 2.89Å; Q505-T509 VanDerWaalsContact O-N 3.16Å; Q505-T509 PolarHBondContact O-OG1 2.86Å; Q505-S715 VanDerWaalsContact O-CB 3.27Å; Q505-S715 WeakPolarHBondContact O-CB 3.49Å
506D93Very high93.7Very high96 Ų9620 Ų2051%0.51310%0.095SC..Hα-helixtrans-59.3-42.2-171-59.9-8.3000112.6V504 L508 T509 A510 L621V504-D506 PolarHBondContact O-N 2.93Å; D506-L508 VanDerWaalsContact C-N 3.29Å; D506-L508 PolarHBondContact O-N 3.33Å; D506-T509 PolarHBondContact O-N 2.81Å; D506-A510 WeakPolarHBondContact O-CB 3.39Å; D506-A510 PolarHBondContact O-N 3.43Å; D506-L621 HydrophobicContact CB-CD2 3.9Å
507T95.1Very high93.8Very high3 Ų330.6 Ų30.62%0.01813%0.134CC..Hα-helixtrans-61.1-37.6177.6-48.10000111.2I503 Q505 A510 C511 I613 Q614 V617 N618I503-T507 HydrophobicContact CG2-CG2 3.67Å; Q505-T507 VanDerWaalsContact C-N 3.35Å; Q505-T507 PolarHBondContact O-N 2.8Å; T507-A510 PolarHBondContact O-N 2.75Å; T507-C511 WeakPolarHBondContact O-CB 3.42Å; T507-C511 PolarHBondContact O-N 3.27Å; T507-C511 PolarHBondContact O-SG 3.16Å; T507-I613 HydrophobicContact CG2-CG2 4.04Å; T507-Q614 HydrophobicContact CG2-CG 4.04Å; T507-V617 HydrophobicContact CG2-CB 4.12Å; T507-V617 HydrophobicContact CG2-CG1 4.09Å; T507-N618 WeakPolarHBondContact CB-OD1 3.29Å; T507-N618 VanDerWaalsContact OG1-CG 3.27Å; T507-N618 PolarHBondContact OG1-ND2 3.41Å; T507-N618 VanDerWaalsContact OG1-ND2 3.08Å; T507-N618 PolarHBondContact OG1-OD1 2.96Å
508L95.2Very high93.7Very high4 Ų434.8 Ų34.82%0.02116%0.157CC..Hα-helixtrans-70.3-39.5176.9-172.963000112.1I503 V504 Q505 D506 A510 C511 R512 K583 L586I503-L508 HydrophobicContact CB-CD1 4.43Å; I503-L508 HydrophobicContact CG2-CB 4.06Å; I503-L508 HydrophobicContact CG2-CD1 4.32Å; V504-L508 PolarHBondContact O-N 3.46Å; Q505-L508 WeakPolarHBondContact O-CB 3.47Å; Q505-L508 PolarHBondContact O-N 3.25Å; Q505-L508 VanDerWaalsContact O-N 3.09Å; D506-L508 VanDerWaalsContact C-N 3.29Å; D506-L508 PolarHBondContact O-N 3.33Å; L508-A510 VanDerWaalsContact C-N 3.34Å; L508-C511 PolarHBondContact O-N 2.82Å; L508-R512 PolarHBondContact O-N 3.32Å; L508-R512 VanDerWaalsContact O-N 3.16Å; L508-K583 HydrophobicContact CD2-CB 4.01Å; L508-K583 HydrophobicContact CD2-CG 4.41Å; L508-L586 HydrophobicContact CD1-CB 4.16Å
509T94.4Very high93.7Very high4 Ų431.6 Ų31.63%0.02515%0.147CC..Hα-helixtrans-62.6-43.1173.3-47.30000111Q505 D506 R512 K513 T709 M710 S715Q505-T509 PolarHBondContact O-N 2.89Å; Q505-T509 VanDerWaalsContact O-N 3.16Å; Q505-T509 PolarHBondContact O-OG1 2.86Å; D506-T509 PolarHBondContact O-N 2.81Å; T509-R512 PolarHBondContact O-N 3.38Å; T509-K513 PolarHBondContact O-N 3.47Å; T509-T709 HydrophobicContact CG2-CG2 4.09Å; T509-M710 HydrophobicContact CG2-CG 4.12Å; T509-S715 VanDerWaalsContact OG1-CB 3.22Å; T509-S715 WeakPolarHBondContact OG1-CB 3.3Å; T509-S715 PolarHBondContact OG1-OG 3.07Å
510A95.1Very high93.7Very high0 Ų036.4 Ų36.40%017%0.168CC..Hα-helixtrans-66.4-42.2177.700000112.4D506 T507 L508 R512 K513 M514 V617 W620 L621D506-A510 WeakPolarHBondContact O-CB 3.39Å; D506-A510 PolarHBondContact O-N 3.43Å; T507-A510 PolarHBondContact O-N 2.75Å; L508-A510 VanDerWaalsContact C-N 3.34Å; A510-R512 VanDerWaalsContact C-N 3.27Å; A510-R512 PolarHBondContact O-N 2.96Å; A510-K513 PolarHBondContact O-N 3.29Å; A510-K513 VanDerWaalsContact O-N 3.14Å; A510-M514 VanDerWaalsContact O-CB 3.31Å; A510-M514 WeakPolarHBondContact O-CB 3.26Å; A510-M514 PolarHBondContact O-N 2.85Å; A510-V617 HydrophobicContact CB-CG1 3.38Å; A510-W620 HydrophobicContact CB-CE3 4.31Å; A510-W620 HydrophobicContact CB-CZ3 4.24Å; A510-W620 WeakPolarHBondContact O-CZ3 3.43Å; A510-L621 HydrophobicContact CB-CB 3.98Å; A510-L621 HydrophobicContact CB-CD1 4.07Å; A510-L621 HydrophobicContact CB-CD2 4.09Å; A510-L621 HydrophobicContact CB-CG 4.26Å
511C94.7Very high93.7Very high0 Ų035.8 Ų35.80%016%0.164CC..Hα-helixtrans-54.8-42.8171.2-74.10000111.7T507 L508 T515 L586T507-C511 WeakPolarHBondContact O-CB 3.42Å; T507-C511 PolarHBondContact O-N 3.27Å; T507-C511 PolarHBondContact O-SG 3.16Å; L508-C511 PolarHBondContact O-N 2.82Å; C511-T515 WeakPolarHBondContact O-CB 3.23Å; C511-T515 WeakPolarHBondContact O-CG2 3.48Å; C511-T515 PolarHBondContact O-N 2.97Å; C511-T515 VanDerWaalsContact O-N 3.07Å; C511-T515 PolarHBondContact O-OG1 3.42Å; C511-L586 HydrophobicContact CB-CD1 3.75Å
512R93.7Very high93.7Very high44 Ų4440.1 Ų40.117%0.16618%0.184CC..Hα-helixtrans-64-46.1175.2177.1173174.373.26.1112.1L508 T509 A510 I580 L581 V712 A713L508-R512 PolarHBondContact O-N 3.32Å; L508-R512 VanDerWaalsContact O-N 3.16Å; T509-R512 PolarHBondContact O-N 3.38Å; A510-R512 VanDerWaalsContact C-N 3.27Å; A510-R512 PolarHBondContact O-N 2.96Å; R512-I580 HydrophobicContact CG-CG2 3.97Å; R512-I580 WeakPolarHBondContact O-CG2 3.38Å; R512-L581 VanDerWaalsContact CA-O 3.32Å; R512-L581 WeakPolarHBondContact CA-O 3.45Å; R512-L581 WeakPolarHBondContact CB-O 3.22Å; R512-V712 VanDerWaalsContact CZ-CG1 3.45Å; R512-A713 HydrophobicContact CB-CB 3.93Å; R512-A713 HydrophobicContact CG-CB 4.44Å
513K93.7Very high93.6Very high32 Ų3247.5 Ų47.514%0.13921%0.212CC..Hα-helixtrans-61.5-55.2177.6-70-174.860.9173.30110.4T509 A510 T515 K516 V519 W620 E624 G625 T709T509-K513 PolarHBondContact O-N 3.47Å; A510-K513 PolarHBondContact O-N 3.29Å; A510-K513 VanDerWaalsContact O-N 3.14Å; K513-T515 VanDerWaalsContact C-N 3.28Å; K513-T515 PolarHBondContact O-N 3.35Å; K513-K516 WeakPolarHBondContact O-CG 3.41Å; K513-K516 PolarHBondContact O-N 2.91Å; K513-V519 VanDerWaalsContact O-CG2 3.3Å; K513-V519 WeakPolarHBondContact O-CG2 3.29Å; K513-W620 HydrophobicContact CB-CH2 3.66Å; K513-W620 HydrophobicContact CB-CZ3 3.91Å; K513-E624 WeakPolarHBondContact CE-OE1 3.46Å; K513-E624 VanDerWaalsContact NZ-CG 3.29Å; K513-E624 IonicContact NZ-OE1 3.46Å; K513-E624 PolarHBondContact NZ-OE1 3.35Å; K513-G625 PolarHBondContact NZ-O 2.87Å; K513-T709 HydrophobicContact CG-CG2 4.17Å
514M93.8Very high93.5Very high0 Ų056.6 Ų56.60%025%0.246CC..Hα-helixtrans-59.9-34.6-175.3-163.6177.57800113.3A510 G554 L557 F558 V617 W620A510-M514 VanDerWaalsContact O-CB 3.31Å; A510-M514 WeakPolarHBondContact O-CB 3.26Å; A510-M514 PolarHBondContact O-N 2.85Å; M514-G554 WeakPolarHBondContact O-CA 3.47Å; M514-L557 HydrophobicContact SD-CD2 4.24Å; M514-F558 HydrophobicContact CE-CB 3.96Å; M514-F558 HydrophobicContact CE-CD2 3.77Å; M514-F558 HydrophobicContact CE-CG 4.37Å; M514-V617 HydrophobicContact CE-CG2 3.89Å; M514-V617 HydrophobicContact SD-CG2 4.41Å; M514-W620 VanDerWaalsContact CA-CH2 3.5Å; M514-W620 HydrophobicContact CB-CD2 4.02Å; M514-W620 HydrophobicContact CB-CE3 3.8Å; M514-W620 HydrophobicContact CB-CH2 3.71Å; M514-W620 HydrophobicContact CB-CZ2 3.95Å; M514-W620 HydrophobicContact CB-CZ3 3.64Å; M514-W620 HydrophobicContact CG-CD2 3.79Å; M514-W620 HydrophobicContact CG-CE3 4.09Å; M514-W620 HydrophobicContact CG-CG 4.29Å; M514-W620 HydrophobicContact CG-CH2 4.29Å; M514-W620 HydrophobicContact CG-CZ2 4.02Å; M514-W620 HydrophobicContact CG-CZ3 4.33Å; M514-W620 VanDerWaalsContact N-CH2 3.34Å; M514-W620 HydrophobicContact SD-CB 4.19Å; M514-W620 HydrophobicContact SD-CD2 3.82Å; M514-W620 HydrophobicContact SD-CE3 4.21Å; M514-W620 HydrophobicContact SD-CG 3.79Å
515T93.8Very high93.4Very high0 Ų059.7 Ų59.70%026%0.255CS..THydrogen-bonded Turntrans-92.815.4-178.462.90000114.7C511 K513 K555 F558 L576 L581C511-T515 WeakPolarHBondContact O-CB 3.23Å; C511-T515 WeakPolarHBondContact O-CG2 3.48Å; C511-T515 PolarHBondContact O-N 2.97Å; C511-T515 VanDerWaalsContact O-N 3.07Å; C511-T515 PolarHBondContact O-OG1 3.42Å; K513-T515 VanDerWaalsContact C-N 3.28Å; K513-T515 PolarHBondContact O-N 3.35Å; T515-K555 PolarHBondContact O-NZ 3.08Å; T515-F558 HydrophobicContact CG2-CB 4.25Å; T515-F558 HydrophobicContact CG2-CD2 4.42Å; T515-F558 HydrophobicContact CG2-CG 4.32Å; T515-L576 HydrophobicContact CG2-CD2 3.92Å; T515-L581 HydrophobicContact CG2-CB 4.43Å; T515-L581 HydrophobicContact CG2-CD1 3.9Å; T515-L581 HydrophobicContact CG2-CG 3.99Å; T515-L581 PolarHBondContact OG1-N 3.27Å
516K92Very high93.5Very high29 Ų2956.7 Ų56.713%0.12624%0.241CC..SBendtrans-64.1-171.5162.3-65.1-168.4172.9-164.40111.8K513 D518 V519 K555 I580K513-K516 WeakPolarHBondContact O-CG 3.41Å; K513-K516 PolarHBondContact O-N 2.91Å; K516-D518 WeakPolarHBondContact CB-OD1 3.29Å; K516-D518 VanDerWaalsContact CD-OD1 3.23Å; K516-D518 WeakPolarHBondContact CD-OD1 3.44Å; K516-V519 HydrophobicContact CB-CG2 4.5Å; K516-K555 PolarHBondContact O-NZ 2.81Å; K516-I580 HydrophobicContact CG-CD1 4.43Å
517R91.9Very high93.4Very high223 Ų22355.2 Ų55.284%0.84223%0.233SC*.SBendtrans-102.1-21.3-179.1-172176.1-178.9178.81.5113.3
518D91.4Very high93.3Very high89 Ų8959.5 Ų59.548%0.47626%0.256SS..SBendtrans-85.9-11.3-179.450.7-27.8000113.9K516 F520K516-D518 WeakPolarHBondContact CB-OD1 3.29Å; K516-D518 VanDerWaalsContact CD-OD1 3.23Å; K516-D518 WeakPolarHBondContact CD-OD1 3.44Å; D518-F520 VanDerWaalsContact O-CD2 3.31Å; D518-F520 WeakPolarHBondContact O-CD2 3.21Å; D518-F520 PolarHBondContact O-N 3.13Å
519V93.2Very high93.2Very high21 Ų2159.4 Ų59.413%0.12726%0.255CS..  trans-81.5108178.4177.20000111.6K513 K516 I521 T553 G554 W620K513-V519 VanDerWaalsContact O-CG2 3.3Å; K513-V519 WeakPolarHBondContact O-CG2 3.29Å; K516-V519 HydrophobicContact CB-CG2 4.5Å; V519-I521 HydrophobicContact CG1-CG1 4.49Å; V519-T553 WeakPolarHBondContact O-CA 3.42Å; V519-G554 PolarHBondContact O-N 3.4Å; V519-G554 VanDerWaalsContact O-N 3.15Å; V519-W620 HydrophobicContact CG1-CZ2 3.83Å; V519-W620 HydrophobicContact CG2-CZ2 4.44Å
520F94.6Very high93.1Very high100 Ų10059.3 Ų59.344%0.43926%0.255SS..EExtended strand (participates in β ladder)trans-109.4144.2171.5-61.9-75.4000111.3D518 I545 F551 W552 T553D518-F520 VanDerWaalsContact O-CD2 3.31Å; D518-F520 WeakPolarHBondContact O-CD2 3.21Å; D518-F520 PolarHBondContact O-N 3.13Å; F520-I545 HydrophobicContact CD1-CD1 4.04Å; F520-I545 HydrophobicContact CE1-CD1 3.44Å; F520-I545 VanDerWaalsContact CE1-CD1 3.44Å; F520-I545 HydrophobicContact CE1-CG1 4.39Å; F520-I545 HydrophobicContact CZ-CD1 3.94Å; F520-F551 HydrophobicContact CB-CB 4.28Å; F520-F551 HydrophobicContact CB-CD1 4.01Å; F520-F551 HydrophobicContact CB-CG 4.37Å; F520-F551 HydrophobicContact CD1-CB 4.15Å; F520-W552 CarbonylContact C-O 3.58Å; F520-W552 WeakPolarHBondContact CA-O 3.22Å; F520-T553 HydrophobicContact CD1-CG2 4.16Å; F520-T553 HydrophobicContact CE1-CG2 3.94Å
521I93.7Very high92.9Very high8 Ų865.3 Ų65.34%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-124.2123.8-177.5-53.4179.7000108.2V519 L526 W552 L557V519-I521 HydrophobicContact CG1-CG1 4.49Å; I521-L526 HydrophobicContact CG2-CB 4.02Å; I521-W552 PolarHBondContact N-O 2.68Å; I521-W552 PolarHBondContact O-N 2.75Å; I521-W552 VanDerWaalsContact O-N 3.08Å; I521-L557 HydrophobicContact CD1-CB 4.27Å; I521-L557 HydrophobicContact CD1-CD2 3.7Å
522E93.3Very high92.7Very high91 Ų9168.4 Ų68.443%0.42530%0.298SS..EExtended strand (participates in β ladder)trans-71.4154.4173.2-62.3178.417800111.6R524 Y525 L526 F551E522-R524 PolarHBondContact O-N 2.98Å; E522-Y525 HydrophobicContact CB-CD2 4.12Å; E522-Y525 PolarHBondContact O-N 3.36Å; E522-Y525 VanDerWaalsContact O-N 3.16Å; E522-L526 PolarHBondContact O-N 3.36Å; E522-F551 HydrophobicContact CG-CD1 4.32Å; E522-F551 HydrophobicContact CG-CE1 3.8Å
523R92.8Very high92.4Very high156 Ų15666.6 Ų66.659%0.58929%0.292SS*.Hα-helixtrans-49.9-36.3178.5-166.7176.8179.4-174.8-1.1114.1N527 W552R523-N527 PolarHBondContact O-N 2.84Å; R523-N527 PolarHBondContact O-OD1 3.28Å; R523-W552 HydrophobicContact CB-CH2 4.06Å; R523-W552 HydrophobicContact CB-CZ3 3.69Å; R523-W552 HydrophobicContact CG-CH2 3.98Å; R523-W552 HydrophobicContact CG-CZ3 4.11Å
524R92.8Very high92.1Very high193 Ų19369.4 Ų69.473%0.72831%0.314SS*.Hα-helixtrans-62.8-54.9-179.9-179.7180175.3174.6-1.4111.5E522 L526 N527 D528E522-R524 PolarHBondContact O-N 2.98Å; R524-L526 VanDerWaalsContact C-N 3.34Å; R524-N527 PolarHBondContact O-N 3.31Å; R524-D528 PolarHBondContact O-N 2.7Å
525Y92.5Very high91.6Very high96 Ų9672.2 Ų72.238%0.37633%0.333SS..Hα-helixtrans-70-32.8-179.7-58.1-68.7000111.8E522 D528 L529 I623E522-Y525 HydrophobicContact CB-CD2 4.12Å; E522-Y525 PolarHBondContact O-N 3.36Å; E522-Y525 VanDerWaalsContact O-N 3.16Å; Y525-D528 PolarHBondContact O-N 2.89Å; Y525-L529 WeakPolarHBondContact O-CB 3.36Å; Y525-L529 WeakPolarHBondContact O-CD1 3.21Å; Y525-L529 VanDerWaalsContact O-CG 3.24Å; Y525-L529 WeakPolarHBondContact O-CG 3.37Å; Y525-L529 PolarHBondContact O-N 2.78Å; Y525-I623 HydrophobicContact CD1-CD1 4.06Å; Y525-I623 HydrophobicContact CD1-CG2 4.36Å; Y525-I623 HydrophobicContact CE1-CG2 4.43Å
526L92.6Very high91.3Very high1 Ų174.8 Ų74.81%0.00534%0.343CS..Hα-helixtrans-59.5-50.1173.5-175.377.2000111.5I521 E522 R524 D528 L529 L530 V540 W552 L557I521-L526 HydrophobicContact CG2-CB 4.02Å; E522-L526 PolarHBondContact O-N 3.36Å; R524-L526 VanDerWaalsContact C-N 3.34Å; L526-D528 VanDerWaalsContact C-N 3.26Å; L526-D528 PolarHBondContact O-N 3.25Å; L526-L529 PolarHBondContact O-N 3.46Å; L526-L530 HydrophobicContact CD2-CD1 4.32Å; L526-L530 HydrophobicContact CG-CD1 3.99Å; L526-L530 HydrophobicContact CG-CG 4.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.39Å; L526-L530 PolarHBondContact O-N 3.15Å; L526-V540 HydrophobicContact CD2-CG1 3.76Å; L526-W552 HydrophobicContact CD1-CB 4.33Å; L526-W552 HydrophobicContact CD1-CG 4.36Å; L526-W552 HydrophobicContact CD2-CB 4.42Å; L526-W552 HydrophobicContact CD2-CD2 3.44Å; L526-W552 VanDerWaalsContact CD2-CD2 3.44Å; L526-W552 VanDerWaalsContact CD2-CE2 3.48Å; L526-W552 HydrophobicContact CD2-CE3 3.94Å; L526-W552 HydrophobicContact CD2-CG 3.65Å; L526-W552 HydrophobicContact CD2-CH2 4.49Å; L526-W552 HydrophobicContact CD2-CZ2 4.03Å; L526-W552 HydrophobicContact CD2-CZ3 4.44Å; L526-L557 HydrophobicContact CD1-CB 4.45Å; L526-L557 HydrophobicContact CD1-CD1 4.07Å
527N92.1Very high91Very high66 Ų6676.2 Ų76.235%0.35335%0.352SS..Hα-helixtrans-56.5-42.4179.9-73.90.2000111.8R523 R524 L530 M531R523-N527 PolarHBondContact O-N 2.84Å; R523-N527 PolarHBondContact O-OD1 3.28Å; R524-N527 PolarHBondContact O-N 3.31Å; N527-L530 PolarHBondContact O-N 3.07Å; N527-M531 WeakPolarHBondContact O-CG 2.99Å; N527-M531 PolarHBondContact O-N 3.17Å
528D92Very high90.8Very high93 Ų9366.7 Ų66.750%0.49732%0.323SS..Hα-helixtrans-62-49.2178.5-153.827000111.1R524 Y525 L526 L530 M531 H532R524-D528 PolarHBondContact O-N 2.7Å; Y525-D528 PolarHBondContact O-N 2.89Å; L526-D528 VanDerWaalsContact C-N 3.26Å; L526-D528 PolarHBondContact O-N 3.25Å; D528-L530 VanDerWaalsContact C-N 3.28Å; D528-L530 PolarHBondContact O-N 3.31Å; D528-M531 WeakPolarHBondContact O-CB 3.19Å; D528-M531 PolarHBondContact O-N 3.25Å; D528-M531 VanDerWaalsContact O-N 3.1Å; D528-H532 PolarHBondContact O-CD2 2.66Å
529L93Very high90.7Very high2 Ų271 Ų711%0.0133%0.333CS..Hα-helixtrans-65.1-28.4177.6-65.8167.6000113.4Y525 L526 H532 L557 V616 N619 W620 I623Y525-L529 WeakPolarHBondContact O-CB 3.36Å; Y525-L529 WeakPolarHBondContact O-CD1 3.21Å; Y525-L529 VanDerWaalsContact O-CG 3.24Å; Y525-L529 WeakPolarHBondContact O-CG 3.37Å; Y525-L529 PolarHBondContact O-N 2.78Å; L526-L529 PolarHBondContact O-N 3.46Å; L529-H532 PolarHBondContact O-N 3.06Å; L529-L557 HydrophobicContact CB-CD2 4.09Å; L529-L557 HydrophobicContact CD1-CD2 3.73Å; L529-L557 HydrophobicContact CG-CD2 4.49Å; L529-V616 HydrophobicContact CB-CG1 4.45Å; L529-N619 HydrophobicContact CD2-CB 4.1Å; L529-W620 HydrophobicContact CD1-CB 4.22Å; L529-W620 HydrophobicContact CD1-CG 4.42Å; L529-W620 HydrophobicContact CD2-CB 3.89Å; L529-I623 HydrophobicContact CD2-CD1 4.34Å
530L92.6Very high90.5Very high1 Ų172.9 Ų72.91%0.00534%0.344CS..Hα-helixtrans-71.7-28.2173.6-69.8173.8000112.9L526 N527 D528 H532 L533 W536 V540 L557 L560L526-L530 HydrophobicContact CD2-CD1 4.32Å; L526-L530 HydrophobicContact CG-CD1 3.99Å; L526-L530 HydrophobicContact CG-CG 4.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.39Å; L526-L530 PolarHBondContact O-N 3.15Å; N527-L530 PolarHBondContact O-N 3.07Å; D528-L530 VanDerWaalsContact C-N 3.28Å; D528-L530 PolarHBondContact O-N 3.31Å; L530-H532 PolarHBondContact O-N 2.98Å; L530-L533 PolarHBondContact O-N 2.81Å; L530-W536 HydrophobicContact CB-CD2 4.29Å; L530-W536 HydrophobicContact CD1-CZ2 3.97Å; L530-W536 HydrophobicContact CD2-CG 4.42Å; L530-V540 HydrophobicContact CD1-CG1 4.47Å; L530-V540 HydrophobicContact CD1-CG2 4.13Å; L530-L557 HydrophobicContact CD2-CD1 4.15Å; L530-L560 HydrophobicContact CD2-CD1 3.46Å; L530-L560 VanDerWaalsContact CD2-CD1 3.46Å
531M90.9Very high90.3Very high127 Ų12769.8 Ų69.863%0.62633%0.334SS*.Hα-helixtrans-66.7-23.4173.3-59.2-57.990.100112.2N527 D528 L533 W536N527-M531 WeakPolarHBondContact O-CG 2.99Å; N527-M531 PolarHBondContact O-N 3.17Å; D528-M531 WeakPolarHBondContact O-CB 3.19Å; D528-M531 PolarHBondContact O-N 3.25Å; D528-M531 VanDerWaalsContact O-N 3.1Å; M531-L533 VanDerWaalsContact C-N 3.32Å; M531-W536 HydrophobicContact CE-CE3 4.01Å; M531-W536 HydrophobicContact CE-CH2 4.2Å; M531-W536 HydrophobicContact CE-CZ3 3.5Å
532H89.4Confident90.3Very high64 Ų6475.7 Ų75.730%0.29636%0.361SS..THydrogen-bonded Turntrans-85.36.3176.7-67.7-69.1000114.5D528 L529 L530 P534 M615 N619D528-H532 PolarHBondContact O-CD2 2.66Å; L529-H532 PolarHBondContact O-N 3.06Å; L530-H532 PolarHBondContact O-N 2.98Å; H532-P534 WeakPolarHBondContact O-CD 3.21Å; H532-M615 WeakPolarHBondContact O-CB 3.49Å; H532-N619 PolarHBondContact ND1-ND2 2.89Å
533L89.2Confident90.3Very high7 Ų772 Ų724%0.03735%0.345CS..  trans-109.899-179.7-179.458.9000111.3L530 M531 S535 W536 L560 I561 N612 V616L530-L533 PolarHBondContact O-N 2.81Å; M531-L533 VanDerWaalsContact C-N 3.32Å; L533-S535 PolarHBondContact O-N 3.36Å; L533-S535 VanDerWaalsContact O-N 3.15Å; L533-W536 HydrophobicContact CB-CB 4.13Å; L533-W536 HydrophobicContact CD2-CB 4.06Å; L533-W536 HydrophobicContact CG-CB 4.01Å; L533-W536 VanDerWaalsContact O-CB 3.28Å; L533-W536 WeakPolarHBondContact O-CB 3.37Å; L533-W536 PolarHBondContact O-N 2.7Å; L533-L560 HydrophobicContact CD2-CB 4.02Å; L533-I561 HydrophobicContact CD1-CG1 4.46Å; L533-N612 HydrophobicContact CD1-CB 3.83Å; L533-V616 HydrophobicContact CB-CG2 3.85Å; L533-V616 HydrophobicContact CD1-CG2 4.12Å; L533-V616 HydrophobicContact CG-CG2 4.48Å
534P86.2Confident90.3Very high91 Ų9167.4 Ų67.459%0.59134%0.341SS*.THydrogen-bonded Turntrans-62-25.8-175.6-24.434.5000114.7H532 W536 M615H532-P534 WeakPolarHBondContact O-CD 3.21Å; P534-W536 VanDerWaalsContact C-N 3.35Å; P534-M615 HydrophobicContact CG-CE 3.8Å; P534-M615 HydrophobicContact CG-SD 3.93Å
535S83.5Confident90.3Very high58 Ų5861.1 Ų61.141%0.40632%0.321SS..THydrogen-bonded Turntrans-90.711.2178.162.90000113.8L533 N537 N612L533-S535 PolarHBondContact O-N 3.36Å; L533-S535 VanDerWaalsContact O-N 3.15Å; S535-N537 PolarHBondContact O-N 2.75Å; S535-N612 PolarHBondContact OG-ND2 3.05Å
536W87.1Confident90.4Very high54 Ų5461.6 Ų61.621%0.20533%0.329CS..  trans-68.2126.7-174.6-18048.9000112.2L530 M531 L533 P534 G538 R539 V540L530-W536 HydrophobicContact CB-CD2 4.29Å; L530-W536 HydrophobicContact CD1-CZ2 3.97Å; L530-W536 HydrophobicContact CD2-CG 4.42Å; M531-W536 HydrophobicContact CE-CE3 4.01Å; M531-W536 HydrophobicContact CE-CH2 4.2Å; M531-W536 HydrophobicContact CE-CZ3 3.5Å; L533-W536 HydrophobicContact CB-CB 4.13Å; L533-W536 HydrophobicContact CD2-CB 4.06Å; L533-W536 HydrophobicContact CG-CB 4.01Å; L533-W536 VanDerWaalsContact O-CB 3.28Å; L533-W536 WeakPolarHBondContact O-CB 3.37Å; L533-W536 PolarHBondContact O-N 2.7Å; P534-W536 VanDerWaalsContact C-N 3.35Å; W536-G538 VanDerWaalsContact CE2-C 3.49Å; W536-G538 WeakPolarHBondContact CH2-O 3.41Å; W536-G538 VanDerWaalsContact CZ2-O 3.24Å; W536-G538 WeakPolarHBondContact CZ2-O 3.47Å; W536-G538 PolarHBondContact O-N 2.88Å; W536-R539 PolarHBondContact NE1-O 2.84Å; W536-V540 HydrophobicContact CH2-CG2 4.49Å; W536-V540 HydrophobicContact CZ2-CG2 3.95Å
537N86.1Confident90.3Very high60 Ų6070.2 Ų70.232%0.32137%0.367SS..  trans-78.721.8-17871.3-2.1000114.4S535 R539 S1613S535-N537 PolarHBondContact O-N 2.75Å; N537-R539 PolarHBondContact O-N 3.02Å; N537-R539 PolarHBondContact OD1-N 3.36Å; N537-S1613 WeakPolarHBondContact O-CB 3.44Å; N537-S1613 PolarHBondContact O-OG 3.44Å; N537-S1613 VanDerWaalsContact O-OG 3.09Å
538G87.9Confident90.2Very high22 Ų2273.2 Ų73.223%0.22739%0.39CS..SBendtrans69.1-8.3178.200000116.8W536W536-G538 VanDerWaalsContact CE2-C 3.49Å; W536-G538 WeakPolarHBondContact CH2-O 3.41Å; W536-G538 VanDerWaalsContact CZ2-O 3.24Å; W536-G538 WeakPolarHBondContact CZ2-O 3.47Å; W536-G538 PolarHBondContact O-N 2.88Å
539R88.5Confident90Very high180 Ų18074.3 Ų74.368%0.67939%0.392SS*.PPolyproline II helixtrans-100.4119.3-174.5-64175-174.4-1650.4109.1W536 N537W536-R539 PolarHBondContact NE1-O 2.84Å; N537-R539 PolarHBondContact O-N 3.02Å; N537-R539 PolarHBondContact OD1-N 3.36Å
540V90.5Very high90Very high60 Ų6076.9 Ų76.936%0.36441%0.409SS..PPolyproline II helixtrans-71.2126.5167.7-175.80000107.1L526 L530 W536 W552L526-V540 HydrophobicContact CD2-CG1 3.76Å; L530-V540 HydrophobicContact CD1-CG1 4.47Å; L530-V540 HydrophobicContact CD1-CG2 4.13Å; W536-V540 HydrophobicContact CH2-CG2 4.49Å; W536-V540 HydrophobicContact CZ2-CG2 3.95Å; V540-W552 HydrophobicContact CG1-CZ2 3.88Å
541P90.1Very high90.1Very high35 Ų3579.2 Ų79.223%0.22742%0.419CS..PPolyproline II helixtrans-67.7163.5-18028.9-36.3000111.3W552 L560P541-W552 PolarHBondContact O-NE1 2.84Å; P541-L560 HydrophobicContact CG-CD1 3.96Å; P541-L560 HydrophobicContact CG-CD2 4.37Å; P541-L560 HydrophobicContact CG-CG 4.48Å
542Q92.3Very high90.3Very high132 Ų13273.7 Ų73.762%0.61739%0.391SS*.PPolyproline II helixtrans-65131.8172.2-169.170.3-5.100110.3Q556Q542-Q556 PolarHBondContact O-NE2 3.23Å
543P93.6Very high90.6Very high13 Ų1372 Ų728%0.08439%0.385CS..PPolyproline II helixtrans-65.3140.6176.726.4-34000111.2I545 L546 P550 F551 W552P543-I545 PolarHBondContact O-N 3.18Å; P543-L546 HydrophobicContact CG-CD2 3.63Å; P543-L546 HydrophobicContact CG-CG 4.18Å; P543-P550 HydrophobicContact CB-CB 4.2Å; P543-P550 HydrophobicContact CG-CB 3.98Å; P543-F551 VanDerWaalsContact CB-O 3.3Å; P543-F551 WeakPolarHBondContact CB-O 3.44Å; P543-W552 HydrophobicContact CB-CD2 3.71Å; P543-W552 HydrophobicContact CB-CE3 4.04Å; P543-W552 HydrophobicContact CB-CG 4.23Å; P543-W552 HydrophobicContact CB-CH2 4.12Å; P543-W552 HydrophobicContact CB-CZ2 3.81Å; P543-W552 HydrophobicContact CB-CZ3 4.21Å; P543-W552 HydrophobicContact CG-CH2 4.27Å; P543-W552 HydrophobicContact CG-CZ2 3.98Å
544A93.3Very high90.8Very high61 Ų6171.7 Ų71.750%0.50438%0.384SS..SBendtrans-63.2-29.4175.100000112.9F551 T553 Q556A544-F551 PolarHBondContact N-O 3.47Å; A544-F551 VanDerWaalsContact N-O 3.16Å; A544-T553 HydrophobicContact CB-CG2 4.08Å; A544-Q556 VanDerWaalsContact CB-OE1 3.27Å; A544-Q556 VanDerWaalsContact N-OE1 3.13Å
545I93.9Very high91.1Very high60 Ų6068.7 Ų68.731%0.30836%0.362SS..BIsolated β-bridgetrans-121.4121.6175.5-62.9176.6000108F520 P543 K547 P550 F551F520-I545 HydrophobicContact CD1-CD1 4.04Å; F520-I545 HydrophobicContact CE1-CD1 3.44Å; F520-I545 VanDerWaalsContact CE1-CD1 3.44Å; F520-I545 HydrophobicContact CE1-CG1 4.39Å; F520-I545 HydrophobicContact CZ-CD1 3.94Å; P543-I545 PolarHBondContact O-N 3.18Å; I545-K547 WeakPolarHBondContact CG2-O 3.41Å; I545-P550 CarbonylContact O-C 3.19Å; I545-P550 VanDerWaalsContact O-CA 3.28Å; I545-P550 WeakPolarHBondContact O-CA 3.2Å; I545-F551 HydrophobicContact CB-CB 4.25Å; I545-F551 HydrophobicContact CG2-CD2 4.47Å; I545-F551 PolarHBondContact N-O 3.34Å; I545-F551 VanDerWaalsContact N-O 3.11Å; I545-F551 PolarHBondContact O-N 3.47Å
546L92.9Very high91.5Very high106 Ų10668.3 Ų68.356%0.55535%0.353SS*.  trans-97.2-20.9-179.6-79.6160.9000114.1P543P543-L546 HydrophobicContact CG-CD2 3.63Å; P543-L546 HydrophobicContact CG-CG 4.18Å
547K90.9Very high91.8Very high183 Ų18365.8 Ų65.880%0.79634%0.344SS*.SBendtrans-140.9142.8-178.5-66-173.6-180-177.60109.1I545I545-K547 WeakPolarHBondContact CG2-O 3.41Å
548P90.4Very high92.1Very high128 Ų12862.9 Ų62.983%0.83133%0.328SS*.SBendcis-74.4-21.65.130.4-36.2000114.3
549Q88.7Confident92.3Very high116 Ų11662.9 Ų62.954%0.54233%0.325SS..SBendtrans-136.4158.4174.9-69.3-172.44.100109.7F551Q549-F551 HydrophobicContact CB-CD2 4.46Å; Q549-F551 HydrophobicContact CB-CE2 3.94Å; Q549-F551 HydrophobicContact CB-CZ 4.48Å; Q549-F551 WeakPolarHBondContact O-CD2 3.34Å; Q549-F551 PolarHBondContact O-N 2.99Å
550P93Very high92.4Very high57 Ų5756.4 Ų56.437%0.3730%0.303SS..  trans-73.6111.4179.129.7-34.6000111.3P543 I545 W552P543-P550 HydrophobicContact CB-CB 4.2Å; P543-P550 HydrophobicContact CG-CB 3.98Å; I545-P550 CarbonylContact O-C 3.19Å; I545-P550 VanDerWaalsContact O-CA 3.28Å; I545-P550 WeakPolarHBondContact O-CA 3.2Å; P550-W552 HydrophobicContact CB-CH2 3.91Å; P550-W552 HydrophobicContact CB-CZ3 3.82Å; P550-W552 HydrophobicContact CG-CZ3 4.36Å; P550-W552 VanDerWaalsContact O-CZ3 3.28Å; P550-W552 WeakPolarHBondContact O-CZ3 3.42Å
551F94.1Very high92.5Very high50 Ų5053.7 Ų53.722%0.21929%0.287CS..EExtended strand (participates in β ladder)trans-117.7137.5173.1-67.2-82.2000111.5F520 E522 P543 A544 I545 Q549F520-F551 HydrophobicContact CB-CB 4.28Å; F520-F551 HydrophobicContact CB-CD1 4.01Å; F520-F551 HydrophobicContact CB-CG 4.37Å; F520-F551 HydrophobicContact CD1-CB 4.15Å; E522-F551 HydrophobicContact CG-CD1 4.32Å; E522-F551 HydrophobicContact CG-CE1 3.8Å; P543-F551 VanDerWaalsContact CB-O 3.3Å; P543-F551 WeakPolarHBondContact CB-O 3.44Å; A544-F551 PolarHBondContact N-O 3.47Å; A544-F551 VanDerWaalsContact N-O 3.16Å; I545-F551 HydrophobicContact CB-CB 4.25Å; I545-F551 HydrophobicContact CG2-CD2 4.47Å; I545-F551 PolarHBondContact N-O 3.34Å; I545-F551 VanDerWaalsContact N-O 3.11Å; I545-F551 PolarHBondContact O-N 3.47Å; Q549-F551 HydrophobicContact CB-CD2 4.46Å; Q549-F551 HydrophobicContact CB-CE2 3.94Å; Q549-F551 HydrophobicContact CB-CZ 4.48Å; Q549-F551 WeakPolarHBondContact O-CD2 3.34Å; Q549-F551 PolarHBondContact O-N 2.99Å
552W95.1Very high92.5Very high11 Ų1152.6 Ų52.64%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-100.9152.8169.9-68.5-103000109.6F520 I521 R523 L526 V540 P541 P543 P550F520-W552 CarbonylContact C-O 3.58Å; F520-W552 WeakPolarHBondContact CA-O 3.22Å; I521-W552 PolarHBondContact N-O 2.68Å; I521-W552 PolarHBondContact O-N 2.75Å; I521-W552 VanDerWaalsContact O-N 3.08Å; R523-W552 HydrophobicContact CB-CH2 4.06Å; R523-W552 HydrophobicContact CB-CZ3 3.69Å; R523-W552 HydrophobicContact CG-CH2 3.98Å; R523-W552 HydrophobicContact CG-CZ3 4.11Å; L526-W552 HydrophobicContact CD1-CB 4.33Å; L526-W552 HydrophobicContact CD1-CG 4.36Å; L526-W552 HydrophobicContact CD2-CB 4.42Å; L526-W552 HydrophobicContact CD2-CD2 3.44Å; L526-W552 VanDerWaalsContact CD2-CD2 3.44Å; L526-W552 VanDerWaalsContact CD2-CE2 3.48Å; L526-W552 HydrophobicContact CD2-CE3 3.94Å; L526-W552 HydrophobicContact CD2-CG 3.65Å; L526-W552 HydrophobicContact CD2-CH2 4.49Å; L526-W552 HydrophobicContact CD2-CZ2 4.03Å; L526-W552 HydrophobicContact CD2-CZ3 4.44Å; V540-W552 HydrophobicContact CG1-CZ2 3.88Å; P541-W552 PolarHBondContact O-NE1 2.84Å; P543-W552 HydrophobicContact CB-CD2 3.71Å; P543-W552 HydrophobicContact CB-CE3 4.04Å; P543-W552 HydrophobicContact CB-CG 4.23Å; P543-W552 HydrophobicContact CB-CH2 4.12Å; P543-W552 HydrophobicContact CB-CZ2 3.81Å; P543-W552 HydrophobicContact CB-CZ3 4.21Å; P543-W552 HydrophobicContact CG-CH2 4.27Å; P543-W552 HydrophobicContact CG-CZ2 3.98Å; P550-W552 HydrophobicContact CB-CH2 3.91Å; P550-W552 HydrophobicContact CB-CZ3 3.82Å; P550-W552 HydrophobicContact CG-CZ3 4.36Å; P550-W552 VanDerWaalsContact O-CZ3 3.28Å; P550-W552 WeakPolarHBondContact O-CZ3 3.42Å
553T94.8Very high92.2Very high28 Ų2847.8 Ų47.817%0.17226%0.259CS..EExtended strand (participates in β ladder)trans-91.4154.4171.362.60000111.2V519 F520 A544 K555 Q556 L557V519-T553 WeakPolarHBondContact O-CA 3.42Å; F520-T553 HydrophobicContact CD1-CG2 4.16Å; F520-T553 HydrophobicContact CE1-CG2 3.94Å; A544-T553 HydrophobicContact CB-CG2 4.08Å; T553-K555 PolarHBondContact O-N 2.67Å; T553-Q556 VanDerWaalsContact N-OE1 3.11Å; T553-Q556 WeakPolarHBondContact O-CB 3.35Å; T553-Q556 PolarHBondContact O-N 3.18Å; T553-Q556 WeakPolarHBondContact OG1-CG 3.4Å; T553-Q556 PolarHBondContact OG1-N 2.81Å; T553-L557 PolarHBondContact O-N 3.33Å
554G93Very high91.3Very high0 Ų048.5 Ų48.50%027%0.269CS..Hα-helixtrans-59.9-24.4171.400000113.7M514 V519 F558M514-G554 WeakPolarHBondContact O-CA 3.47Å; V519-G554 PolarHBondContact O-N 3.4Å; V519-G554 VanDerWaalsContact O-N 3.15Å; G554-F558 PolarHBondContact O-N 3.42Å; G554-F558 VanDerWaalsContact O-N 3.07Å
555K93.8Very high90.6Very high29 Ų2948.8 Ų48.813%0.12626%0.262CS..Hα-helixtrans-63.7-48.5167.3-72.9-174.2166.261.50112.5T515 K516 T553 L557 F558 S559 L576 G579T515-K555 PolarHBondContact O-NZ 3.08Å; K516-K555 PolarHBondContact O-NZ 2.81Å; T553-K555 PolarHBondContact O-N 2.67Å; K555-L557 VanDerWaalsContact C-N 3.28Å; K555-L557 PolarHBondContact O-N 3.22Å; K555-F558 PolarHBondContact O-N 3.13Å; K555-F558 VanDerWaalsContact O-N 3.09Å; K555-S559 PolarHBondContact O-N 2.85Å; K555-S559 PolarHBondContact O-OG 2.93Å; K555-S559 VanDerWaalsContact O-OG 3.13Å; K555-L576 HydrophobicContact CB-CD2 4.29Å; K555-L576 HydrophobicContact CD-CG 4.46Å; K555-L576 HydrophobicContact CG-CD2 3.94Å; K555-L576 HydrophobicContact CG-CG 4.33Å; K555-G579 WeakPolarHBondContact CE-O 3.46Å; K555-G579 PolarHBondContact NZ-O 3.1Å
556Q92.5Very high90.1Very high49 Ų4945.9 Ų45.923%0.22925%0.247CC..Hα-helixtrans-60.1-38178.4-75-178.5-57.900112.4Q542 A544 T553Q542-Q556 PolarHBondContact O-NE2 3.23Å; A544-Q556 VanDerWaalsContact CB-OE1 3.27Å; A544-Q556 VanDerWaalsContact N-OE1 3.13Å; T553-Q556 VanDerWaalsContact N-OE1 3.11Å; T553-Q556 WeakPolarHBondContact O-CB 3.35Å; T553-Q556 PolarHBondContact O-N 3.18Å; T553-Q556 WeakPolarHBondContact OG1-CG 3.4Å; T553-Q556 PolarHBondContact OG1-N 2.81Å
557L92.2Very high89.6Confident1 Ų140.9 Ų40.91%0.00522%0.221CC..Hα-helixtrans-64.8-44.5173178.758.2000111.2M514 I521 L526 L529 L530 T553 K555 S559 L560 V616M514-L557 HydrophobicContact SD-CD2 4.24Å; I521-L557 HydrophobicContact CD1-CB 4.27Å; I521-L557 HydrophobicContact CD1-CD2 3.7Å; L526-L557 HydrophobicContact CD1-CB 4.45Å; L526-L557 HydrophobicContact CD1-CD1 4.07Å; L529-L557 HydrophobicContact CB-CD2 4.09Å; L529-L557 HydrophobicContact CD1-CD2 3.73Å; L529-L557 HydrophobicContact CG-CD2 4.49Å; L530-L557 HydrophobicContact CD2-CD1 4.15Å; T553-L557 PolarHBondContact O-N 3.33Å; K555-L557 VanDerWaalsContact C-N 3.28Å; K555-L557 PolarHBondContact O-N 3.22Å; L557-S559 VanDerWaalsContact C-N 3.33Å; L557-S559 PolarHBondContact O-N 2.81Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 PolarHBondContact O-N 3.01Å; L557-V616 HydrophobicContact CD1-CG1 4.21Å; L557-V616 HydrophobicContact CD2-CG1 4.07Å; L557-V616 HydrophobicContact CG-CG1 4.16Å
558F92.6Very high89Confident0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-63.6-35.8177.8-161.3-84.2000112.9M514 T515 G554 K555 L560 I561 I562 L576 L581 L586 I613M514-F558 HydrophobicContact CE-CB 3.96Å; M514-F558 HydrophobicContact CE-CD2 3.77Å; M514-F558 HydrophobicContact CE-CG 4.37Å; T515-F558 HydrophobicContact CG2-CB 4.25Å; T515-F558 HydrophobicContact CG2-CD2 4.42Å; T515-F558 HydrophobicContact CG2-CG 4.32Å; G554-F558 PolarHBondContact O-N 3.42Å; G554-F558 VanDerWaalsContact O-N 3.07Å; K555-F558 PolarHBondContact O-N 3.13Å; K555-F558 VanDerWaalsContact O-N 3.09Å; F558-L560 PolarHBondContact O-N 3.49Å; F558-I561 HydrophobicContact CD2-CD1 4.09Å; F558-I561 HydrophobicContact CE2-CD1 4.48Å; F558-I561 WeakPolarHBondContact O-CB 3.1Å; F558-I561 PolarHBondContact O-N 3.21Å; F558-I562 HydrophobicContact CD1-CD1 3.81Å; F558-I562 HydrophobicContact CD1-CG1 3.91Å; F558-I562 HydrophobicContact CE1-CD1 3.89Å; F558-I562 HydrophobicContact CE1-CG1 3.75Å; F558-I562 PolarHBondContact O-N 3.2Å; F558-L576 HydrophobicContact CD1-CD2 4.39Å; F558-L581 HydrophobicContact CD1-CD1 3.59Å; F558-L581 HydrophobicContact CD2-CD1 4.09Å; F558-L581 HydrophobicContact CE1-CD1 3.32Å; F558-L581 HydrophobicContact CE2-CD1 3.85Å; F558-L581 HydrophobicContact CG-CD1 3.98Å; F558-L581 HydrophobicContact CZ-CD1 3.47Å; F558-L581 VanDerWaalsContact CZ-CD1 3.47Å; F558-L586 HydrophobicContact CE2-CD1 4.29Å; F558-L586 HydrophobicContact CZ-CD1 4.01Å; F558-L586 HydrophobicContact CZ-CD2 4.03Å; F558-I613 HydrophobicContact CE2-CG1 4.14Å; F558-I613 HydrophobicContact CE2-CG2 4.25Å; F558-I613 HydrophobicContact CZ-CD1 4.07Å; F558-I613 HydrophobicContact CZ-CG1 4Å
559S92.3Very high87.9Confident22 Ų2231.7 Ų31.715%0.15418%0.176CC..Hα-helixtrans-60-22.3175.1-61.50000114.1K555 L557 I561 L576K555-S559 PolarHBondContact O-N 2.85Å; K555-S559 PolarHBondContact O-OG 2.93Å; K555-S559 VanDerWaalsContact O-OG 3.13Å; L557-S559 VanDerWaalsContact C-N 3.33Å; L557-S559 PolarHBondContact O-N 2.81Å; S559-I561 VanDerWaalsContact C-N 3.33Å; S559-L576 PolarHBondContact OG-N 2.93Å
560L90.8Very high87.5Confident43 Ų4328.8 Ų28.823%0.22516%0.163CC..THydrogen-bonded Turntrans-79.2-17.3173.4-60.7175.5000113.2L530 L533 P541 L557 F558L530-L560 HydrophobicContact CD2-CD1 3.46Å; L530-L560 VanDerWaalsContact CD2-CD1 3.46Å; L533-L560 HydrophobicContact CD2-CB 4.02Å; P541-L560 HydrophobicContact CG-CD1 3.96Å; P541-L560 HydrophobicContact CG-CD2 4.37Å; P541-L560 HydrophobicContact CG-CG 4.48Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 PolarHBondContact O-N 3.01Å; F558-L560 PolarHBondContact O-N 3.49Å
561I92.2Very high87.2Confident4 Ų426.1 Ų26.12%0.02115%0.146CC..THydrogen-bonded Turntrans-84.9-31.8179.7-49.6176.8000110.2L533 F558 S559 P563 F609 N612 I613 V616 V617L533-I561 HydrophobicContact CD1-CG1 4.46Å; F558-I561 HydrophobicContact CD2-CD1 4.09Å; F558-I561 HydrophobicContact CE2-CD1 4.48Å; F558-I561 WeakPolarHBondContact O-CB 3.1Å; F558-I561 PolarHBondContact O-N 3.21Å; S559-I561 VanDerWaalsContact C-N 3.33Å; I561-P563 WeakPolarHBondContact O-CD 3.47Å; I561-F609 HydrophobicContact CG2-CD2 4.14Å; I561-F609 HydrophobicContact CG2-CE2 4.18Å; I561-F609 VanDerWaalsContact O-CD2 3.28Å; I561-F609 WeakPolarHBondContact O-CD2 3.29Å; I561-N612 HydrophobicContact CG2-CB 3.8Å; I561-I613 HydrophobicContact CG2-CB 4.49Å; I561-I613 HydrophobicContact CG2-CG1 3.73Å; I561-V616 HydrophobicContact CD1-CB 3.84Å; I561-V616 HydrophobicContact CD1-CG1 3.98Å; I561-V616 HydrophobicContact CD1-CG2 4.26Å; I561-V616 HydrophobicContact CG1-CG2 4.49Å; I561-V617 HydrophobicContact CD1-CG2 4.49Å
562I91Very high86.7Confident12 Ų1226.8 Ų26.86%0.06215%0.15CC..SBendtrans-70.4123.5-179.2-58.7171.4000109.8F558 I571 G574 L576 L593 F609F558-I562 HydrophobicContact CD1-CD1 3.81Å; F558-I562 HydrophobicContact CD1-CG1 3.91Å; F558-I562 HydrophobicContact CE1-CD1 3.89Å; F558-I562 HydrophobicContact CE1-CG1 3.75Å; F558-I562 PolarHBondContact O-N 3.2Å; I562-I571 HydrophobicContact CD1-CD1 4.1Å; I562-I571 HydrophobicContact CD1-CG2 4.17Å; I562-G574 WeakPolarHBondContact CB-O 3.16Å; I562-G574 WeakPolarHBondContact CD1-O 3.3Å; I562-L576 HydrophobicContact CD1-CB 4.44Å; I562-L593 HydrophobicContact CD1-CD2 4.26Å; I562-L593 HydrophobicContact CG1-CD2 4.37Å; I562-F609 HydrophobicContact CB-CE2 4.36Å; I562-F609 HydrophobicContact CG1-CE2 4Å; I562-F609 HydrophobicContact CG1-CZ 4.21Å
563P85.6Confident86.2Confident31 Ų3129.1 Ų29.120%0.20116%0.161CC..  trans-82.2140.8179.731.8-34.3000112.5I561 V566 V597 L601 I605 F609I561-P563 WeakPolarHBondContact O-CD 3.47Å; P563-V566 WeakPolarHBondContact O-CG2 3.5Å; P563-V597 HydrophobicContact CG-CG1 4.03Å; P563-V597 HydrophobicContact CG-CG2 4.43Å; P563-L601 HydrophobicContact CB-CD1 3.97Å; P563-L601 HydrophobicContact CG-CD1 3.9Å; P563-L601 VanDerWaalsContact O-CD1 3.26Å; P563-L601 WeakPolarHBondContact O-CD1 3.28Å; P563-I605 HydrophobicContact CB-CG2 3.62Å; P563-I605 HydrophobicContact CG-CG2 3.57Å; P563-F609 HydrophobicContact CG-CB 4.27Å; P563-F609 HydrophobicContact CG-CD2 4.45Å; P563-F609 HydrophobicContact CG-CG 4.37Å
564G75.2Confident85.6Confident27 Ų2727.9 Ų27.928%0.27815%0.154SC..SBendtrans67.8-168.716300000116.6V566 G574G564-V566 PolarHBondContact O-N 3.09Å; G564-G574 PolarHBondContact O-N 3.14Å
565N77.9Confident85.3Confident67 Ų6733.4 Ų33.436%0.35818%0.18SC..SBendtrans-82.642-177.3-74-45.4000113N567 H573N565-N567 PolarHBondContact O-ND2 3.41Å; N565-N567 VanDerWaalsContact O-ND2 3.14Å; N565-H573 PolarHBondContact OD1-ND1 3.47Å
566V83.7Confident85.2Confident0 Ų032.4 Ų32.40%018%0.176CC..  trans-69.1134-178.7170.60000110.7P563 G564 H573 G574 L593 V596 V597 L601P563-V566 WeakPolarHBondContact O-CG2 3.5Å; G564-V566 PolarHBondContact O-N 3.09Å; V566-H573 PolarHBondContact O-N 3.41Å; V566-G574 PolarHBondContact O-N 2.84Å; V566-L593 HydrophobicContact CG1-CD1 3.71Å; V566-V596 HydrophobicContact CG1-CG1 3.63Å; V566-V597 HydrophobicContact CG2-CG2 4.06Å; V566-L601 HydrophobicContact CG2-CD1 3.79Å; V566-L601 HydrophobicContact CG2-CG 4.31Å
567N80.7Confident85Confident1 Ų135 Ų351%0.00519%0.191CC..  trans-121.2134.5176.4-56.8-65000111.6N565 I571 E572 H573 W929 N930N565-N567 PolarHBondContact O-ND2 3.41Å; N565-N567 VanDerWaalsContact O-ND2 3.14Å; N567-I571 WeakPolarHBondContact CA-O 3.42Å; N567-E572 WeakPolarHBondContact OD1-CA 3.17Å; N567-H573 PolarHBondContact OD1-N 3.26Å; N567-W929 HydrophobicContact CB-CD2 3.88Å; N567-W929 HydrophobicContact CB-CE3 3.8Å; N567-W929 HydrophobicContact CB-CH2 4.33Å; N567-W929 HydrophobicContact CB-CZ2 4.38Å; N567-W929 HydrophobicContact CB-CZ3 4.05Å; N567-N930 PolarHBondContact ND2-OD1 3.07Å
568L79.3Confident84.9Confident41 Ų4137.4 Ų37.422%0.21521%0.208CC..BIsolated β-bridgetrans-153.7157.1176.6-175.964000106.9L570 I571 T585 L593 W929L568-L570 PolarHBondContact O-N 3.1Å; L568-I571 HydrophobicContact CB-CB 4.37Å; L568-I571 HydrophobicContact CD2-CD1 4.47Å; L568-I571 PolarHBondContact N-O 2.87Å; L568-I571 CarbonylContact O-C 3.59Å; L568-I571 PolarHBondContact O-N 2.87Å; L568-T585 HydrophobicContact CD2-CG2 4.25Å; L568-L593 HydrophobicContact CD2-CB 4.41Å; L568-W929 VanDerWaalsContact C-CZ3 3.45Å; L568-W929 VanDerWaalsContact O-CH2 3.24Å; L568-W929 WeakPolarHBondContact O-CH2 3.49Å
569V68Low84.6Confident77 Ų7739 Ų3947%0.46722%0.224SC..THydrogen-bonded Turntrans-44-30.7-170-176.80000115.8T1895V569-T1895 HydrophobicContact CG1-CG2 4.3Å
570L79.9Confident84.6Confident54 Ų5441 Ų4128%0.28323%0.233SC..THydrogen-bonded Turntrans-108.5-0-177.9-53.9168.9000114.6L568 L577 S578L568-L570 PolarHBondContact O-N 3.1Å; L570-L577 PolarHBondContact O-N 3.02Å; L570-S578 VanDerWaalsContact CD2-OG 3.25Å; L570-S578 WeakPolarHBondContact CD2-OG 3.34Å
571I86Confident84.7Confident2 Ų239 Ų391%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-137.9120-168.6-56172.8000109.4I562 N567 L568 Q575 L576 L593I562-I571 HydrophobicContact CD1-CD1 4.1Å; I562-I571 HydrophobicContact CD1-CG2 4.17Å; N567-I571 WeakPolarHBondContact CA-O 3.42Å; L568-I571 HydrophobicContact CB-CB 4.37Å; L568-I571 HydrophobicContact CD2-CD1 4.47Å; L568-I571 PolarHBondContact N-O 2.87Å; L568-I571 CarbonylContact O-C 3.59Å; L568-I571 PolarHBondContact O-N 2.87Å; I571-Q575 VanDerWaalsContact CA-O 3.29Å; I571-Q575 WeakPolarHBondContact CA-O 3.18Å; I571-L576 HydrophobicContact CD1-CD1 4.28Å; I571-L576 HydrophobicContact CG1-CD1 3.73Å; I571-L593 HydrophobicContact CD1-CD1 3.89Å; I571-L593 HydrophobicContact CD1-CD2 3.68Å; I571-L593 HydrophobicContact CD1-CG 4.36Å
572E84.6Confident84.6Confident63 Ų6340 Ų4029%0.29423%0.229SC..EExtended strand (participates in β ladder)trans-123.2136.3175-60.7-161142.800111.1N567 G574 Q575 L577 W929 K933N567-E572 WeakPolarHBondContact OD1-CA 3.17Å; E572-G574 PolarHBondContact O-N 3.36Å; E572-Q575 PolarHBondContact N-O 3.36Å; E572-Q575 WeakPolarHBondContact O-CB 3.19Å; E572-Q575 PolarHBondContact O-N 2.74Å; E572-L577 HydrophobicContact CB-CD1 4.11Å; E572-L577 HydrophobicContact CG-CD1 3.84Å; E572-W929 HydrophobicContact CG-CZ2 4.14Å; E572-K933 VanDerWaalsContact OE1-CE 3.24Å; E572-K933 WeakPolarHBondContact OE1-CE 3.36Å; E572-K933 IonicContact OE1-NZ 3.03Å; E572-K933 PolarHBondContact OE1-NZ 3.4Å; E572-K933 IonicContact OE2-NZ 2.75Å; E572-K933 PolarHBondContact OE2-NZ 3.19Å
573H83.1Confident84.7Confident61 Ų6144.8 Ų44.828%0.28225%0.249SC..THydrogen-bonded Turntrans48.340.8-175.5-67.3-89.3000113N565 V566 N567 Q575 K933N565-H573 PolarHBondContact OD1-ND1 3.47Å; V566-H573 PolarHBondContact O-N 3.41Å; N567-H573 PolarHBondContact OD1-N 3.26Å; H573-Q575 PolarHBondContact O-N 3.44Å; H573-K933 PolarHBondContact CE1-O 3.11Å
574G82.7Confident84.9Confident2 Ų251.7 Ų51.72%0.02127%0.272CS..THydrogen-bonded Turntrans72.9-2.5-175.400000115.7I562 G564 V566 E572I562-G574 WeakPolarHBondContact CB-O 3.16Å; I562-G574 WeakPolarHBondContact CD1-O 3.3Å; G564-G574 PolarHBondContact O-N 3.14Å; V566-G574 PolarHBondContact O-N 2.84Å; E572-G574 PolarHBondContact O-N 3.36Å
575Q87.9Confident85.7Confident116 Ų11651.4 Ų51.454%0.54226%0.264SS..EExtended strand (participates in β ladder)trans-93.4121.1-178.9-56-172.428.400111.6I571 E572 H573 L577I571-Q575 VanDerWaalsContact CA-O 3.29Å; I571-Q575 WeakPolarHBondContact CA-O 3.18Å; E572-Q575 PolarHBondContact N-O 3.36Å; E572-Q575 WeakPolarHBondContact O-CB 3.19Å; E572-Q575 PolarHBondContact O-N 2.74Å; H573-Q575 PolarHBondContact O-N 3.44Å; Q575-L577 HydrophobicContact CB-CD2 4.23Å; Q575-L577 PolarHBondContact O-N 2.88Å; Q575-L577 VanDerWaalsContact O-N 3.1Å
576L91.4Very high86.5Confident8 Ų848.2 Ų48.24%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-72.698.5174.3-179.865.2000110.6T515 K555 F558 S559 I562 I571 S578 L581T515-L576 HydrophobicContact CG2-CD2 3.92Å; K555-L576 HydrophobicContact CB-CD2 4.29Å; K555-L576 HydrophobicContact CD-CG 4.46Å; K555-L576 HydrophobicContact CG-CD2 3.94Å; K555-L576 HydrophobicContact CG-CG 4.33Å; F558-L576 HydrophobicContact CD1-CD2 4.39Å; S559-L576 PolarHBondContact OG-N 2.93Å; I562-L576 HydrophobicContact CD1-CB 4.44Å; I571-L576 HydrophobicContact CD1-CD1 4.28Å; I571-L576 HydrophobicContact CG1-CD1 3.73Å; L576-S578 WeakPolarHBondContact CD1-O 3.2Å; L576-L581 HydrophobicContact CD1-CD2 4.03Å; L576-L581 HydrophobicContact CD2-CD1 4.05Å; L576-L581 HydrophobicContact CD2-CD2 4.34Å; L576-L581 HydrophobicContact CD2-CG 4.07Å
577L88.5Confident86.8Confident103 Ų10348.4 Ų48.454%0.53925%0.249SC..  trans-78.5-43.2-176.3-56.7-175.1000112L570 E572 Q575L570-L577 PolarHBondContact O-N 3.02Å; E572-L577 HydrophobicContact CB-CD1 4.11Å; E572-L577 HydrophobicContact CG-CD1 3.84Å; Q575-L577 HydrophobicContact CB-CD2 4.23Å; Q575-L577 PolarHBondContact O-N 2.88Å; Q575-L577 VanDerWaalsContact O-N 3.1Å
578S88.6Confident87.4Confident52 Ų5249.9 Ų49.936%0.36426%0.258SS..SBendtrans-143.7-170.3-169.669.20000112.5L570 L576L570-S578 VanDerWaalsContact CD2-OG 3.25Å; L570-S578 WeakPolarHBondContact CD2-OG 3.34Å; L576-S578 WeakPolarHBondContact CD1-O 3.2Å
579G87.1Confident87.9Confident34 Ų3449.6 Ų49.635%0.35126%0.259SS..SBendtrans70.5-169.5178.400000116.2K555K555-G579 WeakPolarHBondContact CE-O 3.46Å; K555-G579 PolarHBondContact NZ-O 3.1Å
580I91.6Very high89Confident64 Ų6448 Ų4833%0.32825%0.252SS..  trans-141.7129.3174.3-56.1177000107.1R512 K516R512-I580 HydrophobicContact CG-CG2 3.97Å; R512-I580 WeakPolarHBondContact O-CG2 3.38Å; K516-I580 HydrophobicContact CG-CD1 4.43Å
581L92.6Very high89.4Confident1 Ų147 Ų471%0.00526%0.255CS..  trans-75138.4-176.6-57.2-176.4000111.5R512 T515 F558 L576 T585 L586R512-L581 VanDerWaalsContact CA-O 3.32Å; R512-L581 WeakPolarHBondContact CA-O 3.45Å; R512-L581 WeakPolarHBondContact CB-O 3.22Å; T515-L581 HydrophobicContact CG2-CB 4.43Å; T515-L581 HydrophobicContact CG2-CD1 3.9Å; T515-L581 HydrophobicContact CG2-CG 3.99Å; T515-L581 PolarHBondContact OG1-N 3.27Å; F558-L581 HydrophobicContact CD1-CD1 3.59Å; F558-L581 HydrophobicContact CD2-CD1 4.09Å; F558-L581 HydrophobicContact CE1-CD1 3.32Å; F558-L581 HydrophobicContact CE2-CD1 3.85Å; F558-L581 HydrophobicContact CG-CD1 3.98Å; F558-L581 HydrophobicContact CZ-CD1 3.47Å; F558-L581 VanDerWaalsContact CZ-CD1 3.47Å; L576-L581 HydrophobicContact CD1-CD2 4.03Å; L576-L581 HydrophobicContact CD2-CD1 4.05Å; L576-L581 HydrophobicContact CD2-CD2 4.34Å; L576-L581 HydrophobicContact CD2-CG 4.07Å; L581-T585 HydrophobicContact CD2-CG2 3.77Å; L581-L586 HydrophobicContact CB-CD1 3.88Å; L581-L586 HydrophobicContact CB-CG 4.22Å; L581-L586 HydrophobicContact CD1-CD1 3.87Å; L581-L586 HydrophobicContact CD1-CD2 4.37Å; L581-L586 HydrophobicContact CD1-CG 4.27Å; L581-L586 HydrophobicContact CG-CD1 4.48Å
582C91.5Very high89.7Confident24 Ų2447 Ų4716%0.16226%0.255CS..  trans-151.9-174.2-179.868.40000110.8R584 T585 L586C582-R584 PolarHBondContact O-N 2.93Å; C582-R584 VanDerWaalsContact O-N 3.09Å; C582-T585 PolarHBondContact O-N 3.46Å; C582-L586 PolarHBondContact O-N 3.11Å
583K92.7Very high90.1Very high113 Ų11344 Ų4449%0.49124%0.241SC..Hα-helixtrans-50.7-33.5178-167.9177.2-171.4168.70114.2L508 T585 G587 S589 A713L508-K583 HydrophobicContact CD2-CB 4.01Å; L508-K583 HydrophobicContact CD2-CG 4.41Å; K583-T585 VanDerWaalsContact C-N 3.28Å; K583-T585 PolarHBondContact O-N 3.25Å; K583-G587 WeakPolarHBondContact O-CA 3.36Å; K583-G587 PolarHBondContact O-N 2.69Å; K583-S589 PolarHBondContact O-OG 2.87Å; K583-A713 WeakPolarHBondContact CB-O 3.39Å; K583-A713 PolarHBondContact N-O 2.97Å
584R90.9Very high90.6Very high176 Ų17641.1 Ų41.166%0.66423%0.227SC*.Hα-helixtrans-64.1-32177.5-68.6-175.5172.1-164.1-6.9112.5C582 S589C582-R584 PolarHBondContact O-N 2.93Å; C582-R584 VanDerWaalsContact O-N 3.09Å; R584-S589 PolarHBondContact O-OG 2.86Å
585T92Very high91.1Very high21 Ų2141.1 Ų41.113%0.12923%0.227CC..Hα-helixtrans-100.3-37.7-174.4-290000113.5L568 L581 C582 K583 S592 L593L568-T585 HydrophobicContact CD2-CG2 4.25Å; L581-T585 HydrophobicContact CD2-CG2 3.77Å; C582-T585 PolarHBondContact O-N 3.46Å; K583-T585 VanDerWaalsContact C-N 3.28Å; K583-T585 PolarHBondContact O-N 3.25Å; T585-S592 WeakPolarHBondContact O-CB 3.15Å; T585-L593 HydrophobicContact CG2-CB 4.44Å; T585-L593 WeakPolarHBondContact O-CB 3.38Å; T585-L593 PolarHBondContact O-N 3.38Å
586L93.3Very high91.3Very high0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-113.14.7-175.9-62.8-178.8000114.1I503 L508 C511 F558 L581 C582 L593 I594 I613I503-L586 HydrophobicContact CB-CB 4.11Å; I503-L586 HydrophobicContact CG1-CB 4.13Å; I503-L586 PolarHBondContact N-O 2.73Å; L508-L586 HydrophobicContact CD1-CB 4.16Å; C511-L586 HydrophobicContact CB-CD1 3.75Å; F558-L586 HydrophobicContact CE2-CD1 4.29Å; F558-L586 HydrophobicContact CZ-CD1 4.01Å; F558-L586 HydrophobicContact CZ-CD2 4.03Å; L581-L586 HydrophobicContact CB-CD1 3.88Å; L581-L586 HydrophobicContact CB-CG 4.22Å; L581-L586 HydrophobicContact CD1-CD1 3.87Å; L581-L586 HydrophobicContact CD1-CD2 4.37Å; L581-L586 HydrophobicContact CD1-CG 4.27Å; L581-L586 HydrophobicContact CG-CD1 4.48Å; C582-L586 PolarHBondContact O-N 3.11Å; L586-L593 HydrophobicContact CD2-CB 4.48Å; L586-L593 HydrophobicContact CD2-CD2 4.09Å; L586-I594 WeakPolarHBondContact O-CD1 3.34Å; L586-I613 HydrophobicContact CD2-CD1 4.4Å
587G91.3Very high91.4Very high3 Ų335.3 Ų35.33%0.03120%0.2CC..SBendtrans-100-164.717700000113.8K583 S589 S592K583-G587 WeakPolarHBondContact O-CA 3.36Å; K583-G587 PolarHBondContact O-N 2.69Å; G587-S589 PolarHBondContact O-N 2.76Å; G587-S589 VanDerWaalsContact O-N 3.14Å; G587-S592 WeakPolarHBondContact O-CB 3.48Å; G587-S592 PolarHBondContact O-OG 2.8Å
588T91.9Very high91.7Very high32 Ų3231.1 Ų31.120%0.19618%0.179CC..SBendtrans-82.327.2-175.257.30000114.1R498 P499 V500R498-T588 WeakPolarHBondContact CD-O 3.47Å; R498-T588 PolarHBondContact NH1-O 2.85Å; P499-T588 WeakPolarHBondContact O-CA 3.36Å; P499-T588 WeakPolarHBondContact O-CB 3.48Å; V500-T588 WeakPolarHBondContact O-CG2 3.48Å
589S90.6Very high91.8Very high35 Ų3530 Ų3025%0.24517%0.169CC..  trans-77.1145.4177.216.90000111.4P499 K583 R584 G587 G591 S592P499-S589 WeakPolarHBondContact CD-O 3.02Å; K583-S589 PolarHBondContact O-OG 2.87Å; R584-S589 PolarHBondContact O-OG 2.86Å; G587-S589 PolarHBondContact O-N 2.76Å; G587-S589 VanDerWaalsContact O-N 3.14Å; S589-G591 PolarHBondContact O-N 3.21Å; S589-S592 WeakPolarHBondContact O-CB 3.48Å; S589-S592 PolarHBondContact O-N 2.99Å; S589-S592 PolarHBondContact O-OG 2.91Å
590S90.2Very high91.9Very high44 Ų4430 Ų3031%0.30816%0.159SC..THydrogen-bonded Turntrans-61131.216451.90000109.4S592S590-S592 VanDerWaalsContact C-N 3.29Å; S590-S592 PolarHBondContact O-N 2.93Å
591G89.4Confident91.9Very high34 Ų3429.6 Ų29.635%0.35116%0.157SC..THydrogen-bonded Turntrans779.5-177.200000114.9S589 H595S589-G591 PolarHBondContact O-N 3.21Å; G591-H595 PolarHBondContact N-ND1 2.88Å
592S92.1Very high91.8Very high1 Ų130.8 Ų30.81%0.00717%0.17CC..  trans-63.7162.9170.979.60000111.6T585 G587 S589 S590 I594 H595 V596T585-S592 WeakPolarHBondContact O-CB 3.15Å; G587-S592 WeakPolarHBondContact O-CB 3.48Å; G587-S592 PolarHBondContact O-OG 2.8Å; S589-S592 WeakPolarHBondContact O-CB 3.48Å; S589-S592 PolarHBondContact O-N 2.99Å; S589-S592 PolarHBondContact O-OG 2.91Å; S590-S592 VanDerWaalsContact C-N 3.29Å; S590-S592 PolarHBondContact O-N 2.93Å; S592-I594 PolarHBondContact O-N 2.88Å; S592-I594 VanDerWaalsContact O-N 3.14Å; S592-H595 WeakPolarHBondContact O-CA 3.38Å; S592-H595 WeakPolarHBondContact O-CB 3.49Å; S592-H595 PolarHBondContact O-N 3.18Å; S592-H595 PolarHBondContact OG-N 3.07Å; S592-V596 PolarHBondContact O-N 2.95Å
593L92.6Very high91.9Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-57.9-32.2179.8-177.957.5000112.1I562 V566 L568 I571 T585 L586 V596 V597 F609I562-L593 HydrophobicContact CD1-CD2 4.26Å; I562-L593 HydrophobicContact CG1-CD2 4.37Å; V566-L593 HydrophobicContact CG1-CD1 3.71Å; L568-L593 HydrophobicContact CD2-CB 4.41Å; I571-L593 HydrophobicContact CD1-CD1 3.89Å; I571-L593 HydrophobicContact CD1-CD2 3.68Å; I571-L593 HydrophobicContact CD1-CG 4.36Å; T585-L593 HydrophobicContact CG2-CB 4.44Å; T585-L593 WeakPolarHBondContact O-CB 3.38Å; T585-L593 PolarHBondContact O-N 3.38Å; L586-L593 HydrophobicContact CD2-CB 4.48Å; L586-L593 HydrophobicContact CD2-CD2 4.09Å; L593-V596 PolarHBondContact O-N 3.37Å; L593-V597 HydrophobicContact CD1-CG2 4.26Å; L593-V597 HydrophobicContact CG-CG2 4.44Å; L593-V597 WeakPolarHBondContact O-CB 3.38Å; L593-V597 WeakPolarHBondContact O-CG2 3.38Å; L593-V597 PolarHBondContact O-N 3.16Å; L593-F609 HydrophobicContact CD2-CE1 4.14Å; L593-F609 HydrophobicContact CD2-CZ 3.69Å; L593-F609 HydrophobicContact CG-CE1 4.02Å; L593-F609 HydrophobicContact CG-CZ 4.06Å
594I93.3Very high91.9Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-69.3-36.5175-62.1151.7000110.9I491 P499 L586 S592 T598 F609 L610I491-I594 HydrophobicContact CG2-CG2 3.92Å; P499-I594 HydrophobicContact CB-CG2 4.18Å; P499-I594 HydrophobicContact CG-CB 4.45Å; P499-I594 HydrophobicContact CG-CG2 4.29Å; L586-I594 WeakPolarHBondContact O-CD1 3.34Å; S592-I594 PolarHBondContact O-N 2.88Å; S592-I594 VanDerWaalsContact O-N 3.14Å; I594-T598 WeakPolarHBondContact O-CB 3.39Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 2.97Å; I594-F609 HydrophobicContact CG1-CE1 4.45Å; I594-L610 HydrophobicContact CD1-CD2 3.73Å; I594-L610 HydrophobicContact CG1-CD2 4Å; I594-L610 HydrophobicContact CG2-CD1 4.35Å
595H94.1Very high92Very high2 Ų225.8 Ų25.81%0.00916%0.157CC..Hα-helixtrans-61.3-49.9173.9-157.3-143.8000110.8N497 P499 G591 S592 T598 L599N497-H595 PolarHBondContact O-CE1 2.85Å; N497-H595 PolarHBondContact O-NE2 3.35Å; P499-H595 HydrophobicContact CG-CB 3.74Å; G591-H595 PolarHBondContact N-ND1 2.88Å; S592-H595 WeakPolarHBondContact O-CA 3.38Å; S592-H595 WeakPolarHBondContact O-CB 3.49Å; S592-H595 PolarHBondContact O-N 3.18Å; S592-H595 PolarHBondContact OG-N 3.07Å; H595-T598 PolarHBondContact O-N 2.95Å; H595-L599 WeakPolarHBondContact O-CB 3.46Å; H595-L599 WeakPolarHBondContact O-CG 3.44Å; H595-L599 PolarHBondContact O-N 2.71Å; H595-L599 VanDerWaalsContact O-N 3.1Å
596V92.7Very high92.1Very high3 Ų324.8 Ų24.82%0.01815%0.151CC..Hα-helixtrans-59.1-54179.1174.30000111V566 S592 L593 T598 L599 E600V566-V596 HydrophobicContact CG1-CG1 3.63Å; S592-V596 PolarHBondContact O-N 2.95Å; L593-V596 PolarHBondContact O-N 3.37Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3.04Å; V596-L599 PolarHBondContact O-N 3.08Å; V596-E600 WeakPolarHBondContact O-CB 3.44Å; V596-E600 PolarHBondContact O-N 3.15Å
597V93.4Very high92.1Very high0 Ų025.1 Ų25.10%015%0.154CC..Hα-helixtrans-57.1-44.1178.71710000111.7P563 V566 L593 L599 E600 L601 I605 A606 F609P563-V597 HydrophobicContact CG-CG1 4.03Å; P563-V597 HydrophobicContact CG-CG2 4.43Å; V566-V597 HydrophobicContact CG2-CG2 4.06Å; L593-V597 HydrophobicContact CD1-CG2 4.26Å; L593-V597 HydrophobicContact CG-CG2 4.44Å; L593-V597 WeakPolarHBondContact O-CB 3.38Å; L593-V597 WeakPolarHBondContact O-CG2 3.38Å; L593-V597 PolarHBondContact O-N 3.16Å; V597-L599 VanDerWaalsContact C-N 3.33Å; V597-L599 PolarHBondContact O-N 3.42Å; V597-E600 PolarHBondContact O-N 3.48Å; V597-L601 PolarHBondContact O-N 3.48Å; V597-I605 HydrophobicContact CG1-CG2 4.35Å; V597-A606 HydrophobicContact CG1-CB 4Å; V597-F609 HydrophobicContact CB-CD1 4.47Å; V597-F609 HydrophobicContact CG1-CD1 4.29Å; V597-F609 HydrophobicContact CG2-CD1 4.13Å; V597-F609 HydrophobicContact CG2-CE1 4.1Å
598T93.3Very high92.2Very high15 Ų1530.3 Ų30.39%0.09218%0.177CC..Hα-helixtrans-65.6-36.7-178.5-50.80000112.2I491 L492 I594 H595 V596 G602 A606I491-T598 HydrophobicContact CG2-CG2 4.46Å; L492-T598 HydrophobicContact CD1-CG2 3.95Å; L492-T598 HydrophobicContact CD2-CG2 4.18Å; L492-T598 HydrophobicContact CG-CG2 3.84Å; I594-T598 WeakPolarHBondContact O-CB 3.39Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 2.97Å; H595-T598 PolarHBondContact O-N 2.95Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3.04Å; T598-G602 VanDerWaalsContact O-CA 3.31Å; T598-G602 WeakPolarHBondContact O-CA 3.44Å; T598-G602 PolarHBondContact O-N 3.22Å; T598-A606 HydrophobicContact CG2-CB 4.37Å; T598-A606 VanDerWaalsContact OG1-CB 3.25Å; T598-A606 WeakPolarHBondContact OG1-CB 3.26Å
599L92.1Very high92.3Very high29 Ų2929 Ų2915%0.15217%0.168CC..Hα-helixtrans-87.3-16.9-178.9-66.7173.3000113.9L492 H595 V596 V597 L841 E843 R1016L492-L599 HydrophobicContact CD1-CD2 3.62Å; L492-L599 HydrophobicContact CD1-CG 3.96Å; H595-L599 WeakPolarHBondContact O-CB 3.46Å; H595-L599 WeakPolarHBondContact O-CG 3.44Å; H595-L599 PolarHBondContact O-N 2.71Å; H595-L599 VanDerWaalsContact O-N 3.1Å; V596-L599 PolarHBondContact O-N 3.08Å; V597-L599 VanDerWaalsContact C-N 3.33Å; V597-L599 PolarHBondContact O-N 3.42Å; L599-L841 HydrophobicContact CD2-CD2 3.67Å; L599-E843 HydrophobicContact CD1-CG 3.91Å; L599-E843 WeakPolarHBondContact CD1-OE1 3.48Å; L599-R1016 PolarHBondContact O-NH1 3.06Å
600E89.2Confident92.5Very high32 Ų3227.3 Ų27.315%0.1516%0.157CC..Hα-helixtrans-99.5-41.4176-84.1170.5-171.600114.1V596 V597 R926 N930V596-E600 WeakPolarHBondContact O-CB 3.44Å; V596-E600 PolarHBondContact O-N 3.15Å; V597-E600 PolarHBondContact O-N 3.48Å; E600-R926 VanDerWaalsContact CG-NH1 3.34Å; E600-R926 WeakPolarHBondContact OE1-CD 3.34Å; E600-R926 VanDerWaalsContact OE1-CG 3.29Å; E600-R926 WeakPolarHBondContact OE1-CG 3.33Å; E600-R926 IonicContact OE1-CZ 2.63Å; E600-R926 IonicContact OE1-NE 2.63Å; E600-R926 IonicContact OE1-NH1 2.97Å; E600-R926 PolarHBondContact OE1-NH1 3.03Å; E600-N930 PolarHBondContact OE1-ND2 2.66Å
601L90.6Very high92.7Very high56 Ų5625.6 Ų25.629%0.29315%0.145SC..Hα-helixtrans-113.6-3.2-171-54.2-177.6000112.8P563 V566 V597 I605P563-L601 HydrophobicContact CB-CD1 3.97Å; P563-L601 HydrophobicContact CG-CD1 3.9Å; P563-L601 VanDerWaalsContact O-CD1 3.26Å; P563-L601 WeakPolarHBondContact O-CD1 3.28Å; V566-L601 HydrophobicContact CG2-CD1 3.79Å; V566-L601 HydrophobicContact CG2-CG 4.31Å; V597-L601 PolarHBondContact O-N 3.48Å; L601-I605 HydrophobicContact CB-CB 4.1Å; L601-I605 HydrophobicContact CB-CD1 4.12Å; L601-I605 HydrophobicContact CB-CG2 3.87Å; L601-I605 HydrophobicContact CD1-CG2 4.01Å
602G91Very high92.9Very high27 Ų2724.5 Ų24.528%0.27813%0.131SC..  trans85.2169.8179.400000114.4T598 A606T598-G602 VanDerWaalsContact O-CA 3.31Å; T598-G602 WeakPolarHBondContact O-CA 3.44Å; T598-G602 PolarHBondContact O-N 3.22Å; G602-A606 PolarHBondContact O-N 2.69Å
603F92.7Very high93Very high59 Ų5924.5 Ų24.526%0.25913%0.131SC..Hα-helixtrans-69.5-35.1-169.446.7-99.4000114.6P488 R489 A606 A607P488-F603 HydrophobicContact CB-CB 4.08Å; P488-F603 HydrophobicContact CB-CD2 3.83Å; P488-F603 HydrophobicContact CB-CG 4.4Å; P488-F603 VanDerWaalsContact O-CB 3.31Å; P488-F603 WeakPolarHBondContact O-CB 3.27Å; R489-F603 HydrophobicContact CG-CD1 4.17Å; R489-F603 HydrophobicContact CG-CD2 3.89Å; R489-F603 HydrophobicContact CG-CE1 4.12Å; R489-F603 HydrophobicContact CG-CE2 3.83Å; R489-F603 HydrophobicContact CG-CG 4.08Å; R489-F603 HydrophobicContact CG-CZ 3.95Å; F603-A606 PolarHBondContact O-N 2.89Å; F603-A607 WeakPolarHBondContact O-CB 3.49Å; F603-A607 PolarHBondContact O-N 3.01Å
604D93Very high93Very high85 Ų8524.6 Ų24.646%0.45513%0.131SC..Hα-helixtrans-69.4-39.1-178.7-67.1-41.5000111.7A607 Q608D604-A607 PolarHBondContact O-N 2.77Å; D604-Q608 WeakPolarHBondContact O-CG 3.26Å; D604-Q608 PolarHBondContact O-N 2.98Å
605I93.8Very high92.9Very high63 Ų6327 Ų2732%0.32314%0.143SC..Hα-helixtrans-67.3-37.9174.2-65.9-176.9000110.4P563 V597 L601 Q608 F609P563-I605 HydrophobicContact CB-CG2 3.62Å; P563-I605 HydrophobicContact CG-CG2 3.57Å; V597-I605 HydrophobicContact CG1-CG2 4.35Å; L601-I605 HydrophobicContact CB-CB 4.1Å; L601-I605 HydrophobicContact CB-CD1 4.12Å; L601-I605 HydrophobicContact CB-CG2 3.87Å; L601-I605 HydrophobicContact CD1-CG2 4.01Å; I605-Q608 PolarHBondContact O-N 3.28Å; I605-F609 VanDerWaalsContact O-CB 3.26Å; I605-F609 WeakPolarHBondContact O-CB 3.47Å; I605-F609 PolarHBondContact O-N 2.78Å
606A93.8Very high92.9Very high0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-63.8-38.3172.500000113.1I491 V597 T598 G602 F603 F609 L610I491-A606 HydrophobicContact CD1-CB 3.82Å; V597-A606 HydrophobicContact CG1-CB 4Å; T598-A606 HydrophobicContact CG2-CB 4.37Å; T598-A606 VanDerWaalsContact OG1-CB 3.25Å; T598-A606 WeakPolarHBondContact OG1-CB 3.26Å; G602-A606 PolarHBondContact O-N 2.69Å; F603-A606 PolarHBondContact O-N 2.89Å; A606-F609 PolarHBondContact O-N 2.97Å; A606-L610 WeakPolarHBondContact O-CG 3.37Å; A606-L610 PolarHBondContact O-N 3.21Å
607A93.8Very high92.9Very high7 Ų726.7 Ų26.76%0.05814%0.142CC..Hα-helixtrans-69.3-39.7176.600000112.7L341 P488 I491 F603 D604 S611L341-A607 HydrophobicContact CB-CB 4.39Å; L341-A607 HydrophobicContact CD2-CB 3.84Å; P488-A607 HydrophobicContact CB-CB 3.88Å; P488-A607 HydrophobicContact CG-CB 3.83Å; I491-A607 HydrophobicContact CD1-CB 4.28Å; F603-A607 WeakPolarHBondContact O-CB 3.49Å; F603-A607 PolarHBondContact O-N 3.01Å; D604-A607 PolarHBondContact O-N 2.77Å; A607-S611 PolarHBondContact O-N 2.96Å; A607-S611 PolarHBondContact O-OG 2.98Å
608Q93.3Very high93Very high113 Ų11328 Ų2853%0.52815%0.148SC..Hα-helixtrans-63.2-46.7171-70.5175.223.700111D604 I605 L610 S611 N612D604-Q608 WeakPolarHBondContact O-CG 3.26Å; D604-Q608 PolarHBondContact O-N 2.98Å; I605-Q608 PolarHBondContact O-N 3.28Å; Q608-L610 PolarHBondContact O-N 3.48Å; Q608-S611 WeakPolarHBondContact O-CB 3.29Å; Q608-S611 PolarHBondContact O-N 3.41Å; Q608-S611 VanDerWaalsContact O-N 3.09Å; Q608-N612 WeakPolarHBondContact O-CB 3.31Å; Q608-N612 PolarHBondContact O-N 3.29Å; Q608-N612 PolarHBondContact O-OD1 3.33Å
609F94Very high93Very high3 Ų328.9 Ų28.91%0.01315%0.153CC..Hα-helixtrans-56.5-48.3177.6176.8-130.1000112.7I561 I562 P563 L593 I594 V597 I605 A606 S611 N612 I613I561-F609 HydrophobicContact CG2-CD2 4.14Å; I561-F609 HydrophobicContact CG2-CE2 4.18Å; I561-F609 VanDerWaalsContact O-CD2 3.28Å; I561-F609 WeakPolarHBondContact O-CD2 3.29Å; I562-F609 HydrophobicContact CB-CE2 4.36Å; I562-F609 HydrophobicContact CG1-CE2 4Å; I562-F609 HydrophobicContact CG1-CZ 4.21Å; P563-F609 HydrophobicContact CG-CB 4.27Å; P563-F609 HydrophobicContact CG-CD2 4.45Å; P563-F609 HydrophobicContact CG-CG 4.37Å; L593-F609 HydrophobicContact CD2-CE1 4.14Å; L593-F609 HydrophobicContact CD2-CZ 3.69Å; L593-F609 HydrophobicContact CG-CE1 4.02Å; L593-F609 HydrophobicContact CG-CZ 4.06Å; I594-F609 HydrophobicContact CG1-CE1 4.45Å; V597-F609 HydrophobicContact CB-CD1 4.47Å; V597-F609 HydrophobicContact CG1-CD1 4.29Å; V597-F609 HydrophobicContact CG2-CD1 4.13Å; V597-F609 HydrophobicContact CG2-CE1 4.1Å; I605-F609 VanDerWaalsContact O-CB 3.26Å; I605-F609 WeakPolarHBondContact O-CB 3.47Å; I605-F609 PolarHBondContact O-N 2.78Å; A606-F609 PolarHBondContact O-N 2.97Å; F609-S611 VanDerWaalsContact C-N 3.28Å; F609-S611 PolarHBondContact O-N 2.84Å; F609-N612 PolarHBondContact O-N 3.41Å; F609-I613 HydrophobicContact CD1-CD1 4.26Å; F609-I613 HydrophobicContact CD2-CD1 4.05Å; F609-I613 HydrophobicContact CD2-CG1 4.18Å; F609-I613 HydrophobicContact CE1-CD1 3.92Å; F609-I613 HydrophobicContact CE2-CD1 3.7Å; F609-I613 HydrophobicContact CE2-CG1 3.95Å; F609-I613 HydrophobicContact CG-CD1 4.33Å; F609-I613 HydrophobicContact CZ-CD1 3.64Å; F609-I613 HydrophobicContact CZ-CG1 4.38Å; F609-I613 WeakPolarHBondContact O-CG1 3.31Å; F609-I613 PolarHBondContact O-N 3.18Å
610L93.9Very high93.1Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-59.2-37.7175.3-78.1168.9000112.8L341 I491 I503 I594 A606 Q608 Q614L341-L610 HydrophobicContact CD1-CB 4.39Å; L341-L610 HydrophobicContact CD1-CD1 4.3Å; L341-L610 HydrophobicContact CD2-CB 4.29Å; L341-L610 HydrophobicContact CD2-CD1 3.64Å; I491-L610 HydrophobicContact CD1-CD1 4.27Å; I503-L610 HydrophobicContact CD1-CD2 3.68Å; I503-L610 HydrophobicContact CG1-CD2 4.17Å; I594-L610 HydrophobicContact CD1-CD2 3.73Å; I594-L610 HydrophobicContact CG1-CD2 4Å; I594-L610 HydrophobicContact CG2-CD1 4.35Å; A606-L610 WeakPolarHBondContact O-CG 3.37Å; A606-L610 PolarHBondContact O-N 3.21Å; Q608-L610 PolarHBondContact O-N 3.48Å; L610-Q614 PolarHBondContact O-N 3.21Å
611S94.1Very high93.4Very high9 Ų928 Ų286%0.06315%0.148CC..Hα-helixtrans-70.2-46.8177.2-51.90000111.3L341 A607 Q608 F609 I613 Q614 M615L341-S611 PolarHBondContact N-OG 3Å; A607-S611 PolarHBondContact O-N 2.96Å; A607-S611 PolarHBondContact O-OG 2.98Å; Q608-S611 WeakPolarHBondContact O-CB 3.29Å; Q608-S611 PolarHBondContact O-N 3.41Å; Q608-S611 VanDerWaalsContact O-N 3.09Å; F609-S611 VanDerWaalsContact C-N 3.28Å; F609-S611 PolarHBondContact O-N 2.84Å; S611-I613 PolarHBondContact O-N 2.89Å; S611-Q614 PolarHBondContact O-N 3.26Å; S611-Q614 VanDerWaalsContact O-N 3.15Å; S611-M615 WeakPolarHBondContact O-CG 3.37Å; S611-M615 PolarHBondContact O-N 3.49Å
612N93.8Very high93.5Very high11 Ų1132 Ų326%0.05917%0.169CC..Hα-helixtrans-63.6-38.3-179-65.8-8.1000112.3L533 S535 I561 Q608 F609 M615 V616L533-N612 HydrophobicContact CD1-CB 3.83Å; S535-N612 PolarHBondContact OG-ND2 3.05Å; I561-N612 HydrophobicContact CG2-CB 3.8Å; Q608-N612 WeakPolarHBondContact O-CB 3.31Å; Q608-N612 PolarHBondContact O-N 3.29Å; Q608-N612 PolarHBondContact O-OD1 3.33Å; F609-N612 PolarHBondContact O-N 3.41Å; N612-M615 PolarHBondContact O-N 3.04Å; N612-V616 PolarHBondContact O-N 3.27Å
613I94.2Very high93.6Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-57.3-52.3171.9-67.5165000109.8I503 T507 F558 I561 L586 F609 S611 M615 V617I503-I613 HydrophobicContact CD1-CB 3.92Å; I503-I613 HydrophobicContact CD1-CD1 3.96Å; I503-I613 HydrophobicContact CD1-CG2 3.69Å; I503-I613 HydrophobicContact CG1-CD1 4.03Å; I503-I613 HydrophobicContact CG1-CG2 4.04Å; T507-I613 HydrophobicContact CG2-CG2 4.04Å; F558-I613 HydrophobicContact CE2-CG1 4.14Å; F558-I613 HydrophobicContact CE2-CG2 4.25Å; F558-I613 HydrophobicContact CZ-CD1 4.07Å; F558-I613 HydrophobicContact CZ-CG1 4Å; I561-I613 HydrophobicContact CG2-CB 4.49Å; I561-I613 HydrophobicContact CG2-CG1 3.73Å; L586-I613 HydrophobicContact CD2-CD1 4.4Å; F609-I613 HydrophobicContact CD1-CD1 4.26Å; F609-I613 HydrophobicContact CD2-CD1 4.05Å; F609-I613 HydrophobicContact CD2-CG1 4.18Å; F609-I613 HydrophobicContact CE1-CD1 3.92Å; F609-I613 HydrophobicContact CE2-CD1 3.7Å; F609-I613 HydrophobicContact CE2-CG1 3.95Å; F609-I613 HydrophobicContact CG-CD1 4.33Å; F609-I613 HydrophobicContact CZ-CD1 3.64Å; F609-I613 HydrophobicContact CZ-CG1 4.38Å; F609-I613 WeakPolarHBondContact O-CG1 3.31Å; F609-I613 PolarHBondContact O-N 3.18Å; S611-I613 PolarHBondContact O-N 2.89Å; I613-M615 PolarHBondContact O-N 3.26Å; I613-V617 HydrophobicContact CG2-CG2 4.06Å; I613-V617 WeakPolarHBondContact O-CB 3.47Å; I613-V617 VanDerWaalsContact O-CG2 3.26Å; I613-V617 WeakPolarHBondContact O-CG2 3.42Å; I613-V617 PolarHBondContact O-N 3.33Å
614Q93.1Very high93.5Very high2 Ų236.2 Ų36.21%0.00918%0.184CC..Hα-helixtrans-61.6-44.3-179-73.4-17823.100112N451 S453 I503 T507 L610 S611 N618N451-Q614 PolarHBondContact ND2-OE1 3.05Å; N451-Q614 PolarHBondContact OD1-NE2 2.93Å; N451-Q614 PolarHBondContact OD1-OE1 3.39Å; S453-Q614 PolarHBondContact OG-NE2 2.88Å; I503-Q614 HydrophobicContact CD1-CG 4.5Å; T507-Q614 HydrophobicContact CG2-CG 4.04Å; L610-Q614 PolarHBondContact O-N 3.21Å; S611-Q614 PolarHBondContact O-N 3.26Å; S611-Q614 VanDerWaalsContact O-N 3.15Å; Q614-N618 WeakPolarHBondContact O-CB 3.42Å; Q614-N618 PolarHBondContact O-N 3.16Å; Q614-N618 PolarHBondContact O-ND2 2.78Å
615M91.4Very high93.5Very high50 Ų5033.7 Ų33.725%0.24618%0.178CC..Hα-helixtrans-61-50.1-179.3-69.8177.567.600112.2H532 P534 S611 N612 I613 N619H532-M615 WeakPolarHBondContact O-CB 3.49Å; P534-M615 HydrophobicContact CG-CE 3.8Å; P534-M615 HydrophobicContact CG-SD 3.93Å; S611-M615 WeakPolarHBondContact O-CG 3.37Å; S611-M615 PolarHBondContact O-N 3.49Å; N612-M615 PolarHBondContact O-N 3.04Å; I613-M615 PolarHBondContact O-N 3.26Å; M615-N619 PolarHBondContact O-ND2 3.3Å
616V93.2Very high93.5Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-74.3-45.9-177.9-1800000111.5L529 L533 L557 I561 N612 N619 W620L529-V616 HydrophobicContact CB-CG1 4.45Å; L533-V616 HydrophobicContact CB-CG2 3.85Å; L533-V616 HydrophobicContact CD1-CG2 4.12Å; L533-V616 HydrophobicContact CG-CG2 4.48Å; L557-V616 HydrophobicContact CD1-CG1 4.21Å; L557-V616 HydrophobicContact CD2-CG1 4.07Å; L557-V616 HydrophobicContact CG-CG1 4.16Å; I561-V616 HydrophobicContact CD1-CB 3.84Å; I561-V616 HydrophobicContact CD1-CG1 3.98Å; I561-V616 HydrophobicContact CD1-CG2 4.26Å; I561-V616 HydrophobicContact CG1-CG2 4.49Å; N612-V616 PolarHBondContact O-N 3.27Å; V616-N619 PolarHBondContact O-N 3.45Å; V616-W620 PolarHBondContact O-N 3.09Å
617V94.5Very high93.5Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-73.3-33.8-172.5176.50000112.3T507 A510 M514 I561 I613 W620 L621T507-V617 HydrophobicContact CG2-CB 4.12Å; T507-V617 HydrophobicContact CG2-CG1 4.09Å; A510-V617 HydrophobicContact CB-CG1 3.38Å; M514-V617 HydrophobicContact CE-CG2 3.89Å; M514-V617 HydrophobicContact SD-CG2 4.41Å; I561-V617 HydrophobicContact CD1-CG2 4.49Å; I613-V617 HydrophobicContact CG2-CG2 4.06Å; I613-V617 WeakPolarHBondContact O-CB 3.47Å; I613-V617 VanDerWaalsContact O-CG2 3.26Å; I613-V617 WeakPolarHBondContact O-CG2 3.42Å; I613-V617 PolarHBondContact O-N 3.33Å; V617-W620 PolarHBondContact O-N 3.31Å; V617-L621 WeakPolarHBondContact O-CB 3.4Å; V617-L621 PolarHBondContact O-N 3.49Å
618N93.9Very high93.4Very high26 Ų2641.2 Ų41.214%0.13922%0.222CC..Hα-helixtrans-73-34.6176.3-63.7-34.2000111.7T507 Q614 L621 L622T507-N618 WeakPolarHBondContact CB-OD1 3.29Å; T507-N618 VanDerWaalsContact OG1-CG 3.27Å; T507-N618 PolarHBondContact OG1-ND2 3.41Å; T507-N618 VanDerWaalsContact OG1-ND2 3.08Å; T507-N618 PolarHBondContact OG1-OD1 2.96Å; Q614-N618 WeakPolarHBondContact O-CB 3.42Å; Q614-N618 PolarHBondContact O-N 3.16Å; Q614-N618 PolarHBondContact O-ND2 2.78Å; N618-L621 PolarHBondContact O-N 3.34Å; N618-L622 WeakPolarHBondContact O-CG 3.25Å; N618-L622 PolarHBondContact O-N 3Å
619N93.4Very high93.3Very high34 Ų3437.6 Ų37.618%0.18222%0.215CC..Hα-helixtrans-68.9-34.9171.6-75.5-64.4000112.1L529 H532 M615 V616 L622L529-N619 HydrophobicContact CD2-CB 4.1Å; H532-N619 PolarHBondContact ND1-ND2 2.89Å; M615-N619 PolarHBondContact O-ND2 3.3Å; V616-N619 PolarHBondContact O-N 3.45Å; N619-L622 PolarHBondContact O-N 3.43Å
620W94.9Very high93.3Very high14 Ų1443.3 Ų43.35%0.05325%0.245CC..Hα-helixtrans-63.1-40.4168.7179.681.7000112.2A510 K513 M514 V519 L529 V616 V617 L622 I623 E624A510-W620 HydrophobicContact CB-CE3 4.31Å; A510-W620 HydrophobicContact CB-CZ3 4.24Å; A510-W620 WeakPolarHBondContact O-CZ3 3.43Å; K513-W620 HydrophobicContact CB-CH2 3.66Å; K513-W620 HydrophobicContact CB-CZ3 3.91Å; M514-W620 VanDerWaalsContact CA-CH2 3.5Å; M514-W620 HydrophobicContact CB-CD2 4.02Å; M514-W620 HydrophobicContact CB-CE3 3.8Å; M514-W620 HydrophobicContact CB-CH2 3.71Å; M514-W620 HydrophobicContact CB-CZ2 3.95Å; M514-W620 HydrophobicContact CB-CZ3 3.64Å; M514-W620 HydrophobicContact CG-CD2 3.79Å; M514-W620 HydrophobicContact CG-CE3 4.09Å; M514-W620 HydrophobicContact CG-CG 4.29Å; M514-W620 HydrophobicContact CG-CH2 4.29Å; M514-W620 HydrophobicContact CG-CZ2 4.02Å; M514-W620 HydrophobicContact CG-CZ3 4.33Å; M514-W620 VanDerWaalsContact N-CH2 3.34Å; M514-W620 HydrophobicContact SD-CB 4.19Å; M514-W620 HydrophobicContact SD-CD2 3.82Å; M514-W620 HydrophobicContact SD-CE3 4.21Å; M514-W620 HydrophobicContact SD-CG 3.79Å; V519-W620 HydrophobicContact CG1-CZ2 3.83Å; V519-W620 HydrophobicContact CG2-CZ2 4.44Å; L529-W620 HydrophobicContact CD1-CB 4.22Å; L529-W620 HydrophobicContact CD1-CG 4.42Å; L529-W620 HydrophobicContact CD2-CB 3.89Å; V616-W620 PolarHBondContact O-N 3.09Å; V617-W620 PolarHBondContact O-N 3.31Å; W620-L622 VanDerWaalsContact C-N 3.27Å; W620-L622 PolarHBondContact O-N 2.96Å; W620-I623 WeakPolarHBondContact O-CB 3.34Å; W620-I623 PolarHBondContact O-N 3.31Å; W620-E624 HydrophobicContact CD2-CB 4.33Å; W620-E624 HydrophobicContact CE3-CB 4.32Å; W620-E624 HydrophobicContact CH2-CB 3.94Å; W620-E624 HydrophobicContact CH2-CG 3.52Å; W620-E624 HydrophobicContact CZ2-CB 3.93Å; W620-E624 HydrophobicContact CZ2-CG 3.85Å; W620-E624 HydrophobicContact CZ3-CB 4.13Å; W620-E624 HydrophobicContact CZ3-CG 3.93Å; W620-E624 PolarHBondContact O-N 3.11Å
621L94.9Very high93.1Very high28 Ų2845.7 Ų45.715%0.14727%0.269CS..Hα-helixtrans-64.5-28176.1-176.362.6000113.1D506 A510 V617 N618 I623 G625 H626D506-L621 HydrophobicContact CB-CD2 3.9Å; A510-L621 HydrophobicContact CB-CB 3.98Å; A510-L621 HydrophobicContact CB-CD1 4.07Å; A510-L621 HydrophobicContact CB-CD2 4.09Å; A510-L621 HydrophobicContact CB-CG 4.26Å; V617-L621 WeakPolarHBondContact O-CB 3.4Å; V617-L621 PolarHBondContact O-N 3.49Å; N618-L621 PolarHBondContact O-N 3.34Å; L621-I623 PolarHBondContact O-N 3.37Å; L621-G625 WeakPolarHBondContact O-CA 3.41Å; L621-G625 PolarHBondContact O-N 3.11Å; L621-H626 HydrophobicContact CD1-CB 3.97Å
622L94Very high93Very high141 Ų14146.1 Ų46.174%0.73827%0.271SS*.Hα-helixtrans-67.1-25.2172.4-69.9174.8000113N618 N619 W620N618-L622 WeakPolarHBondContact O-CG 3.25Å; N618-L622 PolarHBondContact O-N 3Å; N619-L622 PolarHBondContact O-N 3.43Å; W620-L622 VanDerWaalsContact C-N 3.27Å; W620-L622 PolarHBondContact O-N 2.96Å
623I92Very high92.8Very high82 Ų8246.3 Ų46.342%0.42127%0.273SS..Hα-helixtrans-85.6-48176.1-57.2165.9000110.4Y525 L529 W620 L621Y525-I623 HydrophobicContact CD1-CD1 4.06Å; Y525-I623 HydrophobicContact CD1-CG2 4.36Å; Y525-I623 HydrophobicContact CE1-CG2 4.43Å; L529-I623 HydrophobicContact CD2-CD1 4.34Å; W620-I623 WeakPolarHBondContact O-CB 3.34Å; W620-I623 PolarHBondContact O-N 3.31Å; L621-I623 PolarHBondContact O-N 3.37Å
624E91.3Very high92.6Very high92 Ų9251 Ų5143%0.4330%0.297SS..Hα-helixtrans-76.9-37.4-174.8168.966.9-159.100113.5K513 W620K513-E624 WeakPolarHBondContact CE-OE1 3.46Å; K513-E624 VanDerWaalsContact NZ-CG 3.29Å; K513-E624 IonicContact NZ-OE1 3.46Å; K513-E624 PolarHBondContact NZ-OE1 3.35Å; W620-E624 HydrophobicContact CD2-CB 4.33Å; W620-E624 HydrophobicContact CE3-CB 4.32Å; W620-E624 HydrophobicContact CH2-CB 3.94Å; W620-E624 HydrophobicContact CH2-CG 3.52Å; W620-E624 HydrophobicContact CZ2-CB 3.93Å; W620-E624 HydrophobicContact CZ2-CG 3.85Å; W620-E624 HydrophobicContact CZ3-CB 4.13Å; W620-E624 HydrophobicContact CZ3-CG 3.93Å; W620-E624 PolarHBondContact O-N 3.11Å
625G92.7Very high92.2Very high32 Ų3252 Ų5233%0.3331%0.305SS..  trans72159.3-174.800000115.6K513 L621K513-G625 PolarHBondContact NZ-O 2.87Å; L621-G625 WeakPolarHBondContact O-CA 3.41Å; L621-G625 PolarHBondContact O-N 3.11Å
626H93.5Very high91.9Very high57 Ų5753 Ų5326%0.26431%0.311SS..  trans-154.6151.2165.4-174.752.6000109.2L621 N706 M710L621-H626 HydrophobicContact CD1-CB 3.97Å; H626-N706 PolarHBondContact CE1-OD1 3.15Å; H626-N706 VanDerWaalsContact CE1-OD1 3.29Å; H626-N706 PolarHBondContact ND1-OD1 3.26Å; H626-M710 WeakPolarHBondContact NE2-CG 3.31Å
627S93.5Very high91.8Very high86 Ų8658.9 Ų58.960%0.60134%0.339SS*.  trans-158.3170.3179-1690000108.7N706S627-N706 WeakPolarHBondContact O-CB 3.28Å; S627-N706 PolarHBondContact O-OD1 3.19Å
628I92.4Very high91.6Very high85 Ų8563.8 Ų63.844%0.43636%0.362SS..  trans-136.4133.3166.8-179.1171.5000108.6D632 N706 F707 M710I628-D632 WeakPolarHBondContact CA-OD2 3.37Å; I628-D632 HydrophobicContact CG1-CB 3.99Å; I628-N706 HydrophobicContact CB-CB 4.49Å; I628-F707 HydrophobicContact CD1-CB 3.71Å; I628-F707 HydrophobicContact CD1-CD2 4.07Å; I628-F707 HydrophobicContact CD1-CG 3.94Å; I628-M710 HydrophobicContact CB-CE 3.99Å; I628-M710 HydrophobicContact CD1-CE 3.63Å; I628-M710 HydrophobicContact CG1-CE 4.32Å; I628-M710 HydrophobicContact CG2-CE 4.17Å
629G91.8Very high91.5Very high38 Ų3863.1 Ų63.139%0.39236%0.359SS..  trans-127.3175.4178.200000112.8G631 D632G629-G631 PolarHBondContact O-N 3.39Å; G629-D632 PolarHBondContact N-OD2 3.27Å; G629-D632 WeakPolarHBondContact O-CB 3.36Å; G629-D632 PolarHBondContact O-N 3.16Å
630I92.2Very high91.3Very high122 Ų12267 Ų6763%0.62637%0.372SS*.G310 helixtrans-57.6-31.6176.6-164.268.1000111.9D632 T633 L769I630-D632 PolarHBondContact O-N 3.16Å; I630-T633 PolarHBondContact O-N 2.98Å; I630-T633 PolarHBondContact O-OG1 3.08Å; I630-L769 HydrophobicContact CD1-CD1 3.67Å; I630-L769 HydrophobicContact CG1-CD1 4.13Å
631G90.5Very high91.2Very high50 Ų5072.5 Ų72.552%0.51539%0.392SS..G310 helixtrans-61.3-25.7174.900000114.3G629 T633G629-G631 PolarHBondContact O-N 3.39Å; G631-T633 PolarHBondContact O-N 3.12Å
632D90.9Very high91.1Very high18 Ų1875 Ų7510%0.09640%0.403CS..G310 helixtrans-74.8-7.3174.6-63.3-74.5000113I628 G629 I630 N705 N706 F707I628-D632 WeakPolarHBondContact CA-OD2 3.37Å; I628-D632 HydrophobicContact CG1-CB 3.99Å; G629-D632 PolarHBondContact N-OD2 3.27Å; G629-D632 WeakPolarHBondContact O-CB 3.36Å; G629-D632 PolarHBondContact O-N 3.16Å; I630-D632 PolarHBondContact O-N 3.16Å; D632-N705 VanDerWaalsContact CA-ND2 3.3Å; D632-N705 WeakPolarHBondContact CA-ND2 3.2Å; D632-N705 PolarHBondContact O-ND2 3.02Å; D632-N706 WeakPolarHBondContact OD1-CB 3.37Å; D632-N706 PolarHBondContact OD1-N 3.06Å; D632-N706 PolarHBondContact OD1-ND2 2.99Å; D632-N706 PolarHBondContact OD2-ND2 3.49Å; D632-F707 HydrophobicContact CB-CB 4.16Å
633T90.6Very high91.1Very high16 Ų1668.5 Ų68.510%0.09837%0.369CS..G310 helixtrans-105.9-8.4179.170.60000113.8I630 G631 V725 I726 L769I630-T633 PolarHBondContact O-N 2.98Å; I630-T633 PolarHBondContact O-OG1 3.08Å; G631-T633 PolarHBondContact O-N 3.12Å; T633-V725 HydrophobicContact CG2-CG1 3.56Å; T633-I726 WeakPolarHBondContact O-CD1 3Å; T633-I726 VanDerWaalsContact O-CG1 3.27Å; T633-I726 WeakPolarHBondContact O-CG1 3.44Å; T633-I726 WeakPolarHBondContact O-CG2 3.41Å; T633-L769 WeakPolarHBondContact O-CD2 3.28Å
634I89.6Confident91.1Very high99 Ų9970.5 Ų70.551%0.50838%0.375SS..PPolyproline II helixtrans-85.7120-177.3-63.7171.7000109.3L769I634-L769 HydrophobicContact CG1-CD2 4.07Å
635A84.8Confident91.2Very high21 Ų2172 Ų7217%0.17438%0.382CS..PPolyproline II helixtrans-78.9157.8165.300000110.9T639 I726A635-T639 HydrophobicContact CB-CG2 4.49Å; A635-I726 HydrophobicContact CB-CG2 3.72Å
636D86.4Confident91.3Very high72 Ų7272 Ų7239%0.38538%0.376SS..PPolyproline II helixtrans-68.3161.5171.972.5-78.8000112.1Q638 T639 Y640 S700D636-Q638 PolarHBondContact O-N 2.93Å; D636-Q638 WeakPolarHBondContact OD2-CA 3.16Å; D636-Q638 VanDerWaalsContact OD2-CB 3.32Å; D636-Q638 WeakPolarHBondContact OD2-CB 3.4Å; D636-Q638 PolarHBondContact OD2-N 3.45Å; D636-T639 PolarHBondContact O-N 3.02Å; D636-T639 WeakPolarHBondContact OD1-CB 3.47Å; D636-T639 PolarHBondContact OD1-OG1 2.75Å; D636-T639 PolarHBondContact OD2-N 2.85Å; D636-Y640 PolarHBondContact O-N 3.16Å; D636-S700 VanDerWaalsContact OD1-CB 3.3Å; D636-S700 WeakPolarHBondContact OD1-CB 3.46Å
637Q89.5Confident91.3Very high124 Ų12469.8 Ų69.858%0.57937%0.365SS*.Hα-helixtrans-65.7-24-174.2-172.857.987.700113.9R641Q637-R641 WeakPolarHBondContact O-CG 3.45Å; Q637-R641 PolarHBondContact O-N 3.23Å
638Q91.8Very high91.4Very high103 Ų10370 Ų7048%0.48136%0.357SS..Hα-helixtrans-80.9-43.9177.9-174.7592500110.8D636 Y640 R641 E642D636-Q638 PolarHBondContact O-N 2.93Å; D636-Q638 WeakPolarHBondContact OD2-CA 3.16Å; D636-Q638 VanDerWaalsContact OD2-CB 3.32Å; D636-Q638 WeakPolarHBondContact OD2-CB 3.4Å; D636-Q638 PolarHBondContact OD2-N 3.45Å; Q638-Y640 VanDerWaalsContact C-N 3.27Å; Q638-Y640 PolarHBondContact O-N 2.9Å; Q638-R641 WeakPolarHBondContact O-CB 3.31Å; Q638-R641 PolarHBondContact O-N 3.03Å; Q638-R641 VanDerWaalsContact O-N 3.08Å; Q638-E642 PolarHBondContact O-N 2.82Å
639T90.4Very high91.5Very high12 Ų1272.3 Ų72.37%0.07436%0.364CS..Hα-helixtrans-61.8-35.4172.4-55.50000111.7A635 D636 R641 E642 I643 S700A635-T639 HydrophobicContact CB-CG2 4.49Å; D636-T639 PolarHBondContact O-N 3.02Å; D636-T639 WeakPolarHBondContact OD1-CB 3.47Å; D636-T639 PolarHBondContact OD1-OG1 2.75Å; D636-T639 PolarHBondContact OD2-N 2.85Å; T639-R641 VanDerWaalsContact C-N 3.31Å; T639-R641 PolarHBondContact O-N 3.38Å; T639-E642 PolarHBondContact O-N 3.07Å; T639-I643 HydrophobicContact CG2-CD1 3.87Å; T639-I643 HydrophobicContact CG2-CG1 4.3Å; T639-I643 WeakPolarHBondContact O-CB 3.31Å; T639-I643 WeakPolarHBondContact O-CD1 3.39Å; T639-I643 VanDerWaalsContact O-CG1 3.24Å; T639-I643 WeakPolarHBondContact O-CG1 3.36Å; T639-I643 PolarHBondContact O-N 3.06Å; T639-S700 WeakPolarHBondContact OG1-CB 3.36Å
640Y90.4Very high91.7Very high116 Ų11670.8 Ų70.846%0.45535%0.347SS..Hα-helixtrans-64-33.5174-172.5-96.1000113.1D636 Q638 K644D636-Y640 PolarHBondContact O-N 3.16Å; Q638-Y640 VanDerWaalsContact C-N 3.27Å; Q638-Y640 PolarHBondContact O-N 2.9Å; Y640-K644 WeakPolarHBondContact O-CB 3.48Å; Y640-K644 PolarHBondContact O-N 2.92Å; Y640-K644 VanDerWaalsContact O-N 3.13Å
641R92.6Very high91.8Very high128 Ų12865.8 Ų65.848%0.48332%0.321SS..Hα-helixtrans-67.2-49.5171.1-69.9166.8-179.3162.6-4.1111Q637 Q638 T639 I643 K644 E645Q637-R641 WeakPolarHBondContact O-CG 3.45Å; Q637-R641 PolarHBondContact O-N 3.23Å; Q638-R641 WeakPolarHBondContact O-CB 3.31Å; Q638-R641 PolarHBondContact O-N 3.03Å; Q638-R641 VanDerWaalsContact O-N 3.08Å; T639-R641 VanDerWaalsContact C-N 3.31Å; T639-R641 PolarHBondContact O-N 3.38Å; R641-I643 VanDerWaalsContact C-N 3.29Å; R641-I643 PolarHBondContact O-N 3.48Å; R641-K644 CarbonylContact O-C 3.45Å; R641-K644 PolarHBondContact O-N 2.86Å; R641-E645 WeakPolarHBondContact O-CB 3.3Å; R641-E645 WeakPolarHBondContact O-CG 3.48Å; R641-E645 PolarHBondContact O-N 3.12Å
642E92.9Very high92Very high80 Ų8068.9 Ų68.937%0.37432%0.322SS..Hα-helixtrans-56.7-41.6178.1-170.5-167.7149.900112.1Q638 T639 T646 S696Q638-E642 PolarHBondContact O-N 2.82Å; T639-E642 PolarHBondContact O-N 3.07Å; E642-T646 VanDerWaalsContact O-CB 3.28Å; E642-T646 WeakPolarHBondContact O-CB 3.32Å; E642-T646 PolarHBondContact O-N 3.35Å; E642-T646 PolarHBondContact O-OG1 2.95Å; E642-S696 WeakPolarHBondContact OE1-CB 3.49Å; E642-S696 PolarHBondContact OE1-OG 3.24Å
643I93Very high92.2Very high5 Ų570.1 Ų70.13%0.02633%0.329CS..Hα-helixtrans-61.1-49.3174.4-71.9163.9000110.5T639 R641 T646 I647 T693 A697 A727T639-I643 HydrophobicContact CG2-CD1 3.87Å; T639-I643 HydrophobicContact CG2-CG1 4.3Å; T639-I643 WeakPolarHBondContact O-CB 3.31Å; T639-I643 WeakPolarHBondContact O-CD1 3.39Å; T639-I643 VanDerWaalsContact O-CG1 3.24Å; T639-I643 WeakPolarHBondContact O-CG1 3.36Å; T639-I643 PolarHBondContact O-N 3.06Å; R641-I643 VanDerWaalsContact C-N 3.29Å; R641-I643 PolarHBondContact O-N 3.48Å; I643-T646 PolarHBondContact O-N 3.44Å; I643-I647 HydrophobicContact CG2-CD1 3.86Å; I643-I647 WeakPolarHBondContact O-CG1 3.46Å; I643-I647 PolarHBondContact O-N 3.32Å; I643-T693 HydrophobicContact CB-CG2 4.35Å; I643-T693 HydrophobicContact CG1-CG2 4.41Å; I643-T693 HydrophobicContact CG2-CG2 4Å; I643-A697 HydrophobicContact CD1-CB 4.29Å; I643-A727 HydrophobicContact CD1-CB 3.78Å; I643-A727 HydrophobicContact CG1-CB 4.25Å; I643-A727 HydrophobicContact CG2-CB 4.23Å
644K92.3Very high92.4Very high125 Ų12569.4 Ų69.454%0.54332%0.324SS..Hα-helixtrans-64.4-42.6179.8-173.1172.7-178.3174.90112.1Y640 R641 I647 Q648Y640-K644 WeakPolarHBondContact O-CB 3.48Å; Y640-K644 PolarHBondContact O-N 2.92Å; Y640-K644 VanDerWaalsContact O-N 3.13Å; R641-K644 CarbonylContact O-C 3.45Å; R641-K644 PolarHBondContact O-N 2.86Å; K644-I647 PolarHBondContact O-N 3.48Å; K644-Q648 HydrophobicContact CG-CG 4.35Å; K644-Q648 WeakPolarHBondContact O-CB 3.42Å; K644-Q648 VanDerWaalsContact O-CG 3.22Å; K644-Q648 WeakPolarHBondContact O-CG 3.38Å; K644-Q648 PolarHBondContact O-N 2.84Å
645E94.4Very high92.6Very high123 Ų12369.3 Ų69.358%0.57532%0.323SS*.Hα-helixtrans-62.4-42.3175.9-72.8163-157.400111.3R641 Q648 K649R641-E645 WeakPolarHBondContact O-CB 3.3Å; R641-E645 WeakPolarHBondContact O-CG 3.48Å; R641-E645 PolarHBondContact O-N 3.12Å; E645-Q648 PolarHBondContact O-N 3.4Å; E645-K649 WeakPolarHBondContact O-CB 3.14Å; E645-K649 PolarHBondContact O-N 2.99Å
646T94.3Very high93Very high33 Ų3372.1 Ų72.120%0.20233%0.332CS..Hα-helixtrans-63.8-42.2175.7-59.50000112.1E642 I643 A650 K692 T693E642-T646 VanDerWaalsContact O-CB 3.28Å; E642-T646 WeakPolarHBondContact O-CB 3.32Å; E642-T646 PolarHBondContact O-N 3.35Å; E642-T646 PolarHBondContact O-OG1 2.95Å; I643-T646 PolarHBondContact O-N 3.44Å; T646-A650 WeakPolarHBondContact O-CB 3.44Å; T646-A650 PolarHBondContact O-N 2.74Å; T646-K692 HydrophobicContact CG2-CB 4.02Å; T646-T693 HydrophobicContact CG2-CG2 3.72Å
647I94.1Very high93.3Very high9 Ų969.2 Ų69.25%0.04632%0.317CS..Hα-helixtrans-66.4-46.2176.2-71.3167.9000110.9I643 K644 K649 A650 K651 T693 C728 F763 E765I643-I647 HydrophobicContact CG2-CD1 3.86Å; I643-I647 WeakPolarHBondContact O-CG1 3.46Å; I643-I647 PolarHBondContact O-N 3.32Å; K644-I647 PolarHBondContact O-N 3.48Å; I647-K649 VanDerWaalsContact C-N 3.33Å; I647-K649 PolarHBondContact O-N 3.1Å; I647-A650 PolarHBondContact O-N 3.14Å; I647-A650 VanDerWaalsContact O-N 3.16Å; I647-K651 WeakPolarHBondContact O-CG 3.33Å; I647-K651 PolarHBondContact O-N 3.38Å; I647-T693 HydrophobicContact CD1-CG2 4.46Å; I647-T693 HydrophobicContact CG1-CG2 4.04Å; I647-C728 HydrophobicContact CD1-CB 4.07Å; I647-F763 HydrophobicContact CG2-CE1 4.44Å; I647-E765 HydrophobicContact CG2-CB 4Å
648Q94.3Very high93.5Very high91 Ų9164.4 Ų64.443%0.42530%0.296SS..Hα-helixtrans-64.9-38.3179.6-70.8-66.7-42.900111.5K644 E645 K651 H652K644-Q648 HydrophobicContact CG-CG 4.35Å; K644-Q648 WeakPolarHBondContact O-CB 3.42Å; K644-Q648 VanDerWaalsContact O-CG 3.22Å; K644-Q648 WeakPolarHBondContact O-CG 3.38Å; K644-Q648 PolarHBondContact O-N 2.84Å; E645-Q648 PolarHBondContact O-N 3.4Å; Q648-K651 PolarHBondContact O-N 3.48Å; Q648-H652 PolarHBondContact O-N 2.85Å
649K95.4Very high93.5Very high133 Ų13365.7 Ų65.758%0.57830%0.302SS*.Hα-helixtrans-59.8-50169179.2166.9-179.4167.40111.4E645 I647 K651 H652 D653E645-K649 WeakPolarHBondContact O-CB 3.14Å; E645-K649 PolarHBondContact O-N 2.99Å; I647-K649 VanDerWaalsContact C-N 3.33Å; I647-K649 PolarHBondContact O-N 3.1Å; K649-K651 VanDerWaalsContact C-N 3.26Å; K649-K651 PolarHBondContact O-N 2.54Å; K649-H652 CarbonylContact O-C 3.52Å; K649-H652 WeakPolarHBondContact O-CA 3.45Å; K649-H652 WeakPolarHBondContact O-CB 3.1Å; K649-H652 PolarHBondContact O-N 3.39Å; K649-D653 WeakPolarHBondContact CE-OD1 3.49Å; K649-D653 WeakPolarHBondContact CG-OD1 3.42Å; K649-D653 VanDerWaalsContact O-CG 3.24Å; K649-D653 PolarHBondContact O-N 2.77Å
650A94.6Very high93.6Very high6 Ų668.7 Ų68.75%0.0531%0.314CS..Hα-helixtrans-61.9-32.1178.800000113.4T646 I647 V654 I685 A689T646-A650 WeakPolarHBondContact O-CB 3.44Å; T646-A650 PolarHBondContact O-N 2.74Å; I647-A650 PolarHBondContact O-N 3.14Å; I647-A650 VanDerWaalsContact O-N 3.16Å; A650-V654 WeakPolarHBondContact O-CB 3.48Å; A650-V654 VanDerWaalsContact O-CG2 3.3Å; A650-V654 WeakPolarHBondContact O-CG2 3.27Å; A650-V654 PolarHBondContact O-N 3.34Å; A650-V654 VanDerWaalsContact O-N 3.12Å; A650-I685 HydrophobicContact CB-CG2 4.18Å; A650-A689 HydrophobicContact CB-CB 3.47Å; A650-A689 VanDerWaalsContact CB-CB 3.47Å
651K94.6Very high93.6Very high18 Ų1864.2 Ų64.28%0.07830%0.301CS..Hα-helixtrans-64.8-43.4169.9-72.1-171.6175.2-174.90111.4I647 Q648 K649 V654 M655 P758 E759 E765I647-K651 WeakPolarHBondContact O-CG 3.33Å; I647-K651 PolarHBondContact O-N 3.38Å; Q648-K651 PolarHBondContact O-N 3.48Å; K649-K651 VanDerWaalsContact C-N 3.26Å; K649-K651 PolarHBondContact O-N 2.54Å; K651-V654 PolarHBondContact O-N 2.96Å; K651-M655 WeakPolarHBondContact O-CG 3.33Å; K651-M655 PolarHBondContact O-N 3.25Å; K651-P758 HydrophobicContact CB-CG 4.5Å; K651-P758 HydrophobicContact CG-CG 3.94Å; K651-E759 IonicContact NZ-OE1 3.14Å; K651-E759 PolarHBondContact NZ-OE1 3.21Å; K651-E765 VanDerWaalsContact CE-OE2 3.24Å; K651-E765 WeakPolarHBondContact CE-OE2 3.45Å; K651-E765 IonicContact NZ-OE1 2.75Å; K651-E765 PolarHBondContact NZ-OE1 3.23Å; K651-E765 IonicContact NZ-OE2 2.76Å; K651-E765 PolarHBondContact NZ-OE2 3.06Å
652H95.2Very high93.4Very high114 Ų11464.3 Ų64.353%0.52831%0.307SS..Hα-helixtrans-65.7-48.2176.1-17656.4000112.6Q648 K649 V654 M655 E656Q648-H652 PolarHBondContact O-N 2.85Å; K649-H652 CarbonylContact O-C 3.52Å; K649-H652 WeakPolarHBondContact O-CA 3.45Å; K649-H652 WeakPolarHBondContact O-CB 3.1Å; K649-H652 PolarHBondContact O-N 3.39Å; H652-V654 PolarHBondContact O-N 2.96Å; H652-M655 HydrophobicContact CB-CE 4.42Å; H652-M655 WeakPolarHBondContact O-CA 3.23Å; H652-M655 PolarHBondContact O-N 3.34Å; H652-E656 PolarHBondContact O-N 3.03Å
653D95.3Very high93.4Very high45 Ų4563.4 Ų63.424%0.24131%0.309CS..Hα-helixtrans-54.9-34174.6-62.1-5.2000111.2K649 V657 I685K649-D653 WeakPolarHBondContact CE-OD1 3.49Å; K649-D653 WeakPolarHBondContact CG-OD1 3.42Å; K649-D653 VanDerWaalsContact O-CG 3.24Å; K649-D653 PolarHBondContact O-N 2.77Å; D653-V657 WeakPolarHBondContact O-CG2 3.44Å; D653-V657 PolarHBondContact O-N 3.43Å; D653-I685 HydrophobicContact CB-CD1 4.38Å; D653-I685 HydrophobicContact CB-CG2 3.9Å
654V94.7Very high93.1Very high0 Ų069.4 Ų69.40%034%0.341CS..Hα-helixtrans-77-35.6173.71680000113A650 K651 H652 V657 V658 V682 I685 L686A650-V654 WeakPolarHBondContact O-CB 3.48Å; A650-V654 VanDerWaalsContact O-CG2 3.3Å; A650-V654 WeakPolarHBondContact O-CG2 3.27Å; A650-V654 PolarHBondContact O-N 3.34Å; A650-V654 VanDerWaalsContact O-N 3.12Å; K651-V654 PolarHBondContact O-N 2.96Å; H652-V654 PolarHBondContact O-N 2.96Å; V654-V657 PolarHBondContact O-N 2.82Å; V654-V658 WeakPolarHBondContact O-CG2 3.19Å; V654-V658 PolarHBondContact O-N 3.07Å; V654-V682 HydrophobicContact CG1-CG1 3.81Å; V654-V682 HydrophobicContact CG1-CG2 4.11Å; V654-V682 HydrophobicContact CG2-CG1 3.92Å; V654-V682 HydrophobicContact CG2-CG2 4.47Å; V654-I685 HydrophobicContact CG2-CB 4.08Å; V654-I685 HydrophobicContact CG2-CD1 4.29Å; V654-I685 HydrophobicContact CG2-CG2 3.8Å; V654-L686 HydrophobicContact CG2-CD2 3.98Å; V654-L686 HydrophobicContact CG2-CG 4.07Å
655M93Very high93Very high97 Ų9769.5 Ų69.548%0.47834%0.344SS..Hα-helixtrans-65.5-40.5174.1-71.2-174.3-59.400111.5K651 H652 V657 V658 E659K651-M655 WeakPolarHBondContact O-CG 3.33Å; K651-M655 PolarHBondContact O-N 3.25Å; H652-M655 HydrophobicContact CB-CE 4.42Å; H652-M655 WeakPolarHBondContact O-CA 3.23Å; H652-M655 PolarHBondContact O-N 3.34Å; M655-V657 VanDerWaalsContact C-N 3.28Å; M655-V657 PolarHBondContact O-N 3.44Å; M655-V658 CarbonylContact O-C 3.59Å; M655-V658 WeakPolarHBondContact O-CA 3.48Å; M655-V658 WeakPolarHBondContact O-CB 3.22Å; M655-V658 PolarHBondContact O-N 3.3Å; M655-E659 WeakPolarHBondContact O-CG 3.4Å; M655-E659 PolarHBondContact O-N 3.36Å
656E94.1Very high92.7Very high81 Ų8164.6 Ų64.638%0.37932%0.321SS..Hα-helixtrans-57.9-40.3173.5-167.7-163.4144.700111.7H652 E659 K660H652-E656 PolarHBondContact O-N 3.03Å; E656-E659 PolarHBondContact O-N 2.95Å; E656-K660 HydrophobicContact CG-CD 4.38Å; E656-K660 WeakPolarHBondContact O-CB 3.12Å; E656-K660 WeakPolarHBondContact O-CG 3.38Å; E656-K660 PolarHBondContact O-N 3.19Å; E656-K660 IonicContact OE1-NZ 3.29Å; E656-K660 PolarHBondContact OE1-NZ 2.93Å
657V93.6Very high92.1Very high11 Ų1170.6 Ų70.67%0.06735%0.347CS..Hα-helixtrans-72.9-26.5176.2172.70000112.6D653 V654 M655 A661 F678 M681 V682 I685D653-V657 WeakPolarHBondContact O-CG2 3.44Å; D653-V657 PolarHBondContact O-N 3.43Å; V654-V657 PolarHBondContact O-N 2.82Å; M655-V657 VanDerWaalsContact C-N 3.28Å; M655-V657 PolarHBondContact O-N 3.44Å; V657-A661 VanDerWaalsContact O-CB 3.28Å; V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 2.82Å; V657-F678 HydrophobicContact CG1-CD2 3.82Å; V657-F678 HydrophobicContact CG1-CE2 4.02Å; V657-M681 HydrophobicContact CG1-CB 4.37Å; V657-M681 HydrophobicContact CG1-CG 4.32Å; V657-M681 HydrophobicContact CG1-SD 3.95Å; V657-M681 HydrophobicContact CG2-CG 4.29Å; V657-M681 HydrophobicContact CG2-SD 3.64Å; V657-V682 HydrophobicContact CB-CG2 4.49Å; V657-V682 HydrophobicContact CG1-CG2 3.87Å; V657-I685 HydrophobicContact CG2-CD1 4.03Å
658V92.7Very high91.3Very high23 Ų2373.8 Ų73.814%0.13937%0.369CS..Hα-helixtrans-72.6-44.7170168.90000110.8V654 M655 A661 H662 F678V654-V658 WeakPolarHBondContact O-CG2 3.19Å; V654-V658 PolarHBondContact O-N 3.07Å; M655-V658 CarbonylContact O-C 3.59Å; M655-V658 WeakPolarHBondContact O-CA 3.48Å; M655-V658 WeakPolarHBondContact O-CB 3.22Å; M655-V658 PolarHBondContact O-N 3.3Å; V658-A661 CarbonylContact O-C 3.58Å; V658-A661 PolarHBondContact O-N 2.79Å; V658-A661 VanDerWaalsContact O-N 3.15Å; V658-H662 WeakPolarHBondContact CG1-CE1 3.41Å; V658-H662 VanDerWaalsContact O-CG 3.3Å; V658-H662 PolarHBondContact O-N 3.44Å; V658-F678 HydrophobicContact CB-CE2 4.4Å; V658-F678 HydrophobicContact CG2-CE2 3.65Å; V658-F678 HydrophobicContact CG2-CZ 3.69Å
659E92.4Very high90.1Very high129 Ų12972.2 Ų72.260%0.60337%0.365SS*.Hα-helixtrans-61.2-47.7177.8-73.1171.7-178.500110.8M655 E656 A661 H662 S663M655-E659 WeakPolarHBondContact O-CG 3.4Å; M655-E659 PolarHBondContact O-N 3.36Å; E656-E659 PolarHBondContact O-N 2.95Å; E659-A661 PolarHBondContact O-N 3.34Å; E659-H662 CarbonylContact O-C 3.59Å; E659-H662 WeakPolarHBondContact O-CA 3.06Å; E659-H662 PolarHBondContact O-N 2.93Å; E659-S663 PolarHBondContact O-N 3.42Å; E659-S663 PolarHBondContact O-OG 3.08Å
660K92.6Very high88.3Confident75 Ų7570.9 Ų70.933%0.32637%0.37SS..Hα-helixtrans-62.2-27.1173.8-73.7172.3173174.80114.3E656 H662 E665 L666E656-K660 HydrophobicContact CG-CD 4.38Å; E656-K660 WeakPolarHBondContact O-CB 3.12Å; E656-K660 WeakPolarHBondContact O-CG 3.38Å; E656-K660 PolarHBondContact O-N 3.19Å; E656-K660 IonicContact OE1-NZ 3.29Å; E656-K660 PolarHBondContact OE1-NZ 2.93Å; K660-H662 VanDerWaalsContact C-N 3.33Å; K660-E665 HydrophobicContact CB-CB 4.23Å; K660-E665 HydrophobicContact CG-CB 4.25Å; K660-E665 PolarHBondContact O-N 2.87Å; K660-E665 VanDerWaalsContact O-N 3.11Å; K660-L666 HydrophobicContact CB-CB 4.4Å; K660-L666 WeakPolarHBondContact O-CB 3.48Å; K660-L666 PolarHBondContact O-N 2.98Å
661A89.7Confident86.7Confident23 Ų2371.1 Ų71.119%0.1937%0.374CS..Hα-helixtrans-83.4-8.817300000113.4V657 V658 E659 L666 F678V657-A661 VanDerWaalsContact O-CB 3.28Å; V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 2.82Å; V658-A661 CarbonylContact O-C 3.58Å; V658-A661 PolarHBondContact O-N 2.79Å; V658-A661 VanDerWaalsContact O-N 3.15Å; E659-A661 PolarHBondContact O-N 3.34Å; A661-L666 HydrophobicContact CB-CB 4.45Å; A661-L666 HydrophobicContact CB-CD2 3.91Å; A661-F678 HydrophobicContact CB-CD2 3.74Å; A661-F678 HydrophobicContact CB-CE2 4.26Å; A661-F678 HydrophobicContact CB-CG 4.45Å
662H89.4Confident85.3Confident130 Ų13072.3 Ų72.360%0.60238%0.381SS*.Hα-helixtrans-104.2-21.6174.3-67.7165.9000113V658 E659 K660V658-H662 WeakPolarHBondContact CG1-CE1 3.41Å; V658-H662 VanDerWaalsContact O-CG 3.3Å; V658-H662 PolarHBondContact O-N 3.44Å; E659-H662 CarbonylContact O-C 3.59Å; E659-H662 WeakPolarHBondContact O-CA 3.06Å; E659-H662 PolarHBondContact O-N 2.93Å; K660-H662 VanDerWaalsContact C-N 3.33Å
663S91Very high84.5Confident60 Ų6070.2 Ų70.242%0.4238%0.376SS..THydrogen-bonded Turntrans-91.25.3171.159.40000113.9E659 E665E659-S663 PolarHBondContact O-N 3.42Å; E659-S663 PolarHBondContact O-OG 3.08Å; S663-E665 WeakPolarHBondContact CB-OE1 3.37Å; S663-E665 PolarHBondContact O-N 3.45Å; S663-E665 VanDerWaalsContact O-N 3.13Å; S663-E665 VanDerWaalsContact OG-CD 3.22Å; S663-E665 WeakPolarHBondContact OG-CG 3.48Å; S663-E665 PolarHBondContact OG-OE1 2.76Å
664D86.8Confident83.9Confident131 Ų13171 Ų7170%0.70138%0.38SS*.THydrogen-bonded Turntrans56.316.7-173.1-70-47.1000115L666D664-L666 VanDerWaalsContact C-N 3.33Å
665E90.8Very high83.4Confident127 Ų12777.9 Ų77.959%0.59341%0.406SS*.  trans-71.1-23.7172.5-75170.3-117.500113.7K660 S663 E667K660-E665 HydrophobicContact CB-CB 4.23Å; K660-E665 HydrophobicContact CG-CB 4.25Å; K660-E665 PolarHBondContact O-N 2.87Å; K660-E665 VanDerWaalsContact O-N 3.11Å; S663-E665 WeakPolarHBondContact CB-OE1 3.37Å; S663-E665 PolarHBondContact O-N 3.45Å; S663-E665 VanDerWaalsContact O-N 3.13Å; S663-E665 VanDerWaalsContact OG-CD 3.22Å; S663-E665 WeakPolarHBondContact OG-CG 3.48Å; S663-E665 PolarHBondContact OG-OE1 2.76Å; E665-E667 PolarHBondContact O-N 3.17Å
666L87.3Confident82.7Confident20 Ų2077.7 Ų77.711%0.10540%0.404CS..SBendtrans-74.7105.9-179.6179.363.5000110.6K660 A661 D664 L674 T677 F678 M681K660-L666 HydrophobicContact CB-CB 4.4Å; K660-L666 WeakPolarHBondContact O-CB 3.48Å; K660-L666 PolarHBondContact O-N 2.98Å; A661-L666 HydrophobicContact CB-CB 4.45Å; A661-L666 HydrophobicContact CB-CD2 3.91Å; D664-L666 VanDerWaalsContact C-N 3.33Å; L666-L674 HydrophobicContact CB-CD1 4.01Å; L666-L674 HydrophobicContact CD2-CD1 3.87Å; L666-L674 HydrophobicContact CG-CD1 3.77Å; L666-L674 WeakPolarHBondContact O-CD1 3.4Å; L666-T677 HydrophobicContact CD1-CG2 4.41Å; L666-F678 HydrophobicContact CD2-CB 3.78Å; L666-F678 HydrophobicContact CD2-CD2 4.24Å; L666-M681 HydrophobicContact CD1-CE 3.75Å; L666-M681 HydrophobicContact CD1-SD 4.44Å
667E82.4Confident82Confident159 Ų15974 Ų7474%0.74339%0.387SS*.PPolyproline II helixtrans-69.5139.4174.1-62.8-165.713600112.4E665 T669E665-E667 PolarHBondContact O-N 3.17Å; E667-T669 PolarHBondContact O-N 3.11Å
668P76.5Confident81.8Confident77 Ų7774 Ų7450%0.539%0.386SS..PPolyproline II helixtrans-70.5120173.129.2-33.5000110.6L674P668-L674 HydrophobicContact CB-CB 4.42Å
669T69.6Low81.5Confident58 Ų5874.2 Ų74.236%0.35639%0.385SS..PPolyproline II helixtrans-58.7143.6174.748.10000111.6E667 G671 N672 T677E667-T669 PolarHBondContact O-N 3.11Å; T669-G671 PolarHBondContact O-N 3Å; T669-N672 WeakPolarHBondContact O-CB 3.37Å; T669-N672 PolarHBondContact O-N 3.32Å; T669-N672 PolarHBondContact OG1-ND2 3.03Å; T669-T677 HydrophobicContact CG2-CG2 3.63Å; T669-T677 PolarHBondContact N-OG1 2.85Å; T669-T677 PolarHBondContact OG1-OG1 3.37Å
670P59Low80.8Confident104 Ų10472.3 Ų72.368%0.67538%0.379SS*.THydrogen-bonded Turntrans-48.2131.1-177.4-31.136.1000113.1N672P670-N672 PolarHBondContact O-N 3.1Å
671G60.4Low80.6Confident12 Ų1271.2 Ų71.212%0.12438%0.376CS..THydrogen-bonded Turntrans82.1-27.8-177.600000115.6T669 K1248 Y1250T669-G671 PolarHBondContact O-N 3Å; G671-K1248 VanDerWaalsContact C-NZ 3.34Å; G671-K1248 WeakPolarHBondContact O-CD 3.37Å; G671-K1248 WeakPolarHBondContact O-CE 3.3Å; G671-K1248 PolarHBondContact O-NZ 2.88Å; G671-Y1250 VanDerWaalsContact CA-CE1 3.41Å
672N65.5Low80.7Confident42 Ų4270.1 Ų70.123%0.22537%0.367CS..SBendtrans-81.9165.7176.5-71.9-59.2000112.6T669 P670 Q676 T677T669-N672 WeakPolarHBondContact O-CB 3.37Å; T669-N672 PolarHBondContact O-N 3.32Å; T669-N672 PolarHBondContact OG1-ND2 3.03Å; P670-N672 PolarHBondContact O-N 3.1Å; N672-Q676 HydrophobicContact CB-CB 3.98Å; N672-T677 WeakPolarHBondContact CB-OG1 3.38Å
673T76.8Confident80.5Confident71 Ų7164.8 Ų64.844%0.43634%0.343SS..  trans-82.1163.8155.457.70000110.4R675 Q676 T677T673-R675 VanDerWaalsContact C-N 3.28Å; T673-R675 PolarHBondContact O-N 3.2Å; T673-Q676 PolarHBondContact O-N 3.43Å; T673-Q676 WeakPolarHBondContact OG1-CG 3.18Å; T673-Q676 PolarHBondContact OG1-N 2.8Å; T673-Q676 PolarHBondContact OG1-OE1 3.13Å; T673-T677 PolarHBondContact O-N 3.19Å; T673-T677 PolarHBondContact O-OG1 2.85Å
674L84.1Confident80.2Confident62 Ų6269.1 Ų69.133%0.32535%0.35SS..Hα-helixtrans-51.5-47.9171.8176.452.6000111.6L666 P668 Q676 T677 F678L666-L674 HydrophobicContact CB-CD1 4.01Å; L666-L674 HydrophobicContact CD2-CD1 3.87Å; L666-L674 HydrophobicContact CG-CD1 3.77Å; L666-L674 WeakPolarHBondContact O-CD1 3.4Å; P668-L674 HydrophobicContact CB-CB 4.42Å; L674-Q676 PolarHBondContact O-N 3.28Å; L674-T677 WeakPolarHBondContact O-CB 3.24Å; L674-T677 PolarHBondContact O-N 2.91Å; L674-T677 VanDerWaalsContact O-N 3.14Å; L674-F678 WeakPolarHBondContact O-CB 3.47Å; L674-F678 PolarHBondContact O-N 2.78Å
675R84.6Confident80.5Confident144 Ų14464 Ų6454%0.54332%0.322SS..Hα-helixtrans-65.2-35.3179.6-161-179.7-165.8-171.26.5113.8T673 E679 Y756T673-R675 VanDerWaalsContact C-N 3.28Å; T673-R675 PolarHBondContact O-N 3.2Å; R675-E679 WeakPolarHBondContact O-CB 3.37Å; R675-E679 WeakPolarHBondContact O-CG 3.22Å; R675-E679 PolarHBondContact O-N 2.75Å; R675-Y756 PolarHBondContact NH2-OH 3.48Å
676Q77.8Confident80.6Confident93 Ų9358 Ų5844%0.43529%0.294SS..Hα-helixtrans-69.4-39.3172.2-77.4162.6-60.900111.4N672 T673 L674 E679 N680N672-Q676 HydrophobicContact CB-CB 3.98Å; T673-Q676 PolarHBondContact O-N 3.43Å; T673-Q676 WeakPolarHBondContact OG1-CG 3.18Å; T673-Q676 PolarHBondContact OG1-N 2.8Å; T673-Q676 PolarHBondContact OG1-OE1 3.13Å; L674-Q676 PolarHBondContact O-N 3.28Å; Q676-E679 PolarHBondContact O-N 2.95Å; Q676-N680 VanDerWaalsContact O-CB 3.22Å; Q676-N680 WeakPolarHBondContact O-CB 3.04Å; Q676-N680 PolarHBondContact O-N 2.89Å; Q676-N680 PolarHBondContact O-ND2 3.32Å; Q676-N680 PolarHBondContact O-OD1 2.76Å
677T78.6Confident80.5Confident3 Ų358.3 Ų58.32%0.01830%0.296CS..Hα-helixtrans-60.9-48.3175.7-58.30000111L666 T669 N672 T673 L674 N680 M681L666-T677 HydrophobicContact CD1-CG2 4.41Å; T669-T677 HydrophobicContact CG2-CG2 3.63Å; T669-T677 PolarHBondContact N-OG1 2.85Å; T669-T677 PolarHBondContact OG1-OG1 3.37Å; N672-T677 WeakPolarHBondContact CB-OG1 3.38Å; T673-T677 PolarHBondContact O-N 3.19Å; T673-T677 PolarHBondContact O-OG1 2.85Å; L674-T677 WeakPolarHBondContact O-CB 3.24Å; L674-T677 PolarHBondContact O-N 2.91Å; L674-T677 VanDerWaalsContact O-N 3.14Å; T677-N680 PolarHBondContact O-N 3Å; T677-M681 WeakPolarHBondContact O-CB 3.34Å; T677-M681 PolarHBondContact O-N 3.27Å
678F90.1Very high80.8Confident12 Ų1254.1 Ų54.15%0.05328%0.279CS..Hα-helixtrans-55-56.5173170.8-99.5000112.2V657 V658 A661 L666 L674 N680 M681 V682 Y756V657-F678 HydrophobicContact CG1-CD2 3.82Å; V657-F678 HydrophobicContact CG1-CE2 4.02Å; V658-F678 HydrophobicContact CB-CE2 4.4Å; V658-F678 HydrophobicContact CG2-CE2 3.65Å; V658-F678 HydrophobicContact CG2-CZ 3.69Å; A661-F678 HydrophobicContact CB-CD2 3.74Å; A661-F678 HydrophobicContact CB-CE2 4.26Å; A661-F678 HydrophobicContact CB-CG 4.45Å; L666-F678 HydrophobicContact CD2-CB 3.78Å; L666-F678 HydrophobicContact CD2-CD2 4.24Å; L674-F678 WeakPolarHBondContact O-CB 3.47Å; L674-F678 PolarHBondContact O-N 2.78Å; F678-N680 VanDerWaalsContact C-N 3.33Å; F678-N680 PolarHBondContact O-N 3.34Å; F678-M681 PolarHBondContact O-N 3.47Å; F678-V682 HydrophobicContact CD2-CG2 4.2Å; F678-V682 HydrophobicContact CE1-CG2 4.41Å; F678-V682 HydrophobicContact CE2-CG2 3.74Å; F678-V682 HydrophobicContact CZ-CG2 3.85Å; F678-V682 WeakPolarHBondContact O-CG2 3.23Å; F678-V682 PolarHBondContact O-N 2.91Å; F678-Y756 AromaticContact CE1-CD1 3.84Å; F678-Y756 HydrophobicContact CE1-CD1 3.84Å; F678-Y756 HydrophobicContact CE1-CG 4.04Å; F678-Y756 HydrophobicContact CZ-CG 4.29Å
679E85.6Confident81.5Confident26 Ų2650.5 Ų50.512%0.12126%0.256CS..Hα-helixtrans-61.8-38.7-179.7-73.9-72.6157.500111.8R675 Q676 N683 R738 R761R675-E679 WeakPolarHBondContact O-CB 3.37Å; R675-E679 WeakPolarHBondContact O-CG 3.22Å; R675-E679 PolarHBondContact O-N 2.75Å; Q676-E679 PolarHBondContact O-N 2.95Å; E679-N683 WeakPolarHBondContact O-CB 3.04Å; E679-N683 PolarHBondContact O-N 3.45Å; E679-N683 PolarHBondContact O-ND2 3.34Å; E679-R738 IonicContact OE1-CZ 2.69Å; E679-R738 IonicContact OE1-NE 2.69Å; E679-R738 IonicContact OE1-NH2 2.68Å; E679-R738 PolarHBondContact OE1-NH2 3.03Å; E679-R738 IonicContact OE2-CZ 2.89Å; E679-R738 IonicContact OE2-NE 3.26Å; E679-R738 PolarHBondContact OE2-NE 3.36Å; E679-R738 IonicContact OE2-NH2 2.68Å; E679-R738 PolarHBondContact OE2-NH2 3.39Å; E679-R761 IonicContact OE1-CZ 3.89Å; E679-R761 IonicContact OE1-NH1 2.73Å; E679-R761 PolarHBondContact OE1-NH1 2.81Å; E679-R761 VanDerWaalsContact OE1-NH1 3.13Å; E679-R761 IonicContact OE1-NH2 2.64Å
680N79.1Confident82.5Confident89 Ų8948.9 Ų48.948%0.47624%0.243SC..Hα-helixtrans-64-43.9176.2-71.6-15.6000111.7Q676 T677 F678 R684Q676-N680 VanDerWaalsContact O-CB 3.22Å; Q676-N680 WeakPolarHBondContact O-CB 3.04Å; Q676-N680 PolarHBondContact O-N 2.89Å; Q676-N680 PolarHBondContact O-ND2 3.32Å; Q676-N680 PolarHBondContact O-OD1 2.76Å; T677-N680 PolarHBondContact O-N 3Å; F678-N680 VanDerWaalsContact C-N 3.33Å; F678-N680 PolarHBondContact O-N 3.34Å; N680-R684 PolarHBondContact O-N 3.1Å
681M87.1Confident83.8Confident53 Ų5347.9 Ų47.926%0.26123%0.232SC..Hα-helixtrans-66.1-44.4179.9-166.4177.4-59.900111.6V657 L666 T677 F678 R684 I685V657-M681 HydrophobicContact CG1-CB 4.37Å; V657-M681 HydrophobicContact CG1-CG 4.32Å; V657-M681 HydrophobicContact CG1-SD 3.95Å; V657-M681 HydrophobicContact CG2-CG 4.29Å; V657-M681 HydrophobicContact CG2-SD 3.64Å; L666-M681 HydrophobicContact CD1-CE 3.75Å; L666-M681 HydrophobicContact CD1-SD 4.44Å; T677-M681 WeakPolarHBondContact O-CB 3.34Å; T677-M681 PolarHBondContact O-N 3.27Å; F678-M681 PolarHBondContact O-N 3.47Å; M681-R684 WeakPolarHBondContact O-CB 3.46Å; M681-R684 PolarHBondContact O-N 2.78Å; M681-I685 HydrophobicContact CG-CD1 4.35Å; M681-I685 WeakPolarHBondContact O-CG1 3.3Å; M681-I685 PolarHBondContact O-N 2.86Å; M681-I685 VanDerWaalsContact O-N 3.12Å
682V91.8Very high85.3Confident0 Ų052.9 Ų52.90%025%0.25CS..Hα-helixtrans-65.5-43.5176.7172.80000111.6V654 V657 F678 R684 I685 L686V654-V682 HydrophobicContact CG1-CG1 3.81Å; V654-V682 HydrophobicContact CG1-CG2 4.11Å; V654-V682 HydrophobicContact CG2-CG1 3.92Å; V654-V682 HydrophobicContact CG2-CG2 4.47Å; V657-V682 HydrophobicContact CB-CG2 4.49Å; V657-V682 HydrophobicContact CG1-CG2 3.87Å; F678-V682 HydrophobicContact CD2-CG2 4.2Å; F678-V682 HydrophobicContact CE1-CG2 4.41Å; F678-V682 HydrophobicContact CE2-CG2 3.74Å; F678-V682 HydrophobicContact CZ-CG2 3.85Å; F678-V682 WeakPolarHBondContact O-CG2 3.23Å; F678-V682 PolarHBondContact O-N 2.91Å; V682-R684 VanDerWaalsContact C-N 3.3Å; V682-R684 PolarHBondContact O-N 3.22Å; V682-I685 PolarHBondContact O-N 2.74Å; V682-L686 HydrophobicContact CG1-CD1 3.75Å; V682-L686 HydrophobicContact CG1-CG 4.33Å; V682-L686 WeakPolarHBondContact O-CG 3.5Å; V682-L686 PolarHBondContact O-N 3.24Å
683N84.9Confident86.5Confident17 Ų1750.9 Ų50.99%0.09124%0.24CC..Hα-helixtrans-62.6-35.9175.4-81.2-72.9000112.3E679 N687 R738 S1054E679-N683 WeakPolarHBondContact O-CB 3.04Å; E679-N683 PolarHBondContact O-N 3.45Å; E679-N683 PolarHBondContact O-ND2 3.34Å; N683-N687 WeakPolarHBondContact O-CB 3.4Å; N683-N687 PolarHBondContact O-N 3Å; N683-N687 VanDerWaalsContact O-N 3.08Å; N683-N687 PolarHBondContact O-ND2 2.75Å; N683-R738 VanDerWaalsContact OD1-CG 3.29Å; N683-R738 WeakPolarHBondContact OD1-CG 3.35Å; N683-S1054 PolarHBondContact OD1-OG 2.78Å
684R85.4Confident87Confident152 Ų15247.9 Ų47.957%0.57422%0.223SC*.Hα-helixtrans-60.6-53.9173.4-176.7-17765.8-172.2-0.6111N680 M681 V682 L686 N687 D688N680-R684 PolarHBondContact O-N 3.1Å; M681-R684 WeakPolarHBondContact O-CB 3.46Å; M681-R684 PolarHBondContact O-N 2.78Å; V682-R684 VanDerWaalsContact C-N 3.3Å; V682-R684 PolarHBondContact O-N 3.22Å; R684-L686 VanDerWaalsContact C-N 3.3Å; R684-L686 PolarHBondContact O-N 2.73Å; R684-N687 PolarHBondContact O-N 2.78Å; R684-D688 WeakPolarHBondContact O-CB 3.45Å; R684-D688 VanDerWaalsContact O-CG 3.29Å; R684-D688 PolarHBondContact O-N 3.03Å
685I93Very high87.3Confident23 Ų2346.9 Ų46.912%0.11822%0.223CC..Hα-helixtrans-56.5-44.5-178.4-64.7162000111.3A650 D653 V654 V657 M681 V682 A689A650-I685 HydrophobicContact CB-CG2 4.18Å; D653-I685 HydrophobicContact CB-CD1 4.38Å; D653-I685 HydrophobicContact CB-CG2 3.9Å; V654-I685 HydrophobicContact CG2-CB 4.08Å; V654-I685 HydrophobicContact CG2-CD1 4.29Å; V654-I685 HydrophobicContact CG2-CG2 3.8Å; V657-I685 HydrophobicContact CG2-CD1 4.03Å; M681-I685 HydrophobicContact CG-CD1 4.35Å; M681-I685 WeakPolarHBondContact O-CG1 3.3Å; M681-I685 PolarHBondContact O-N 2.86Å; M681-I685 VanDerWaalsContact O-N 3.12Å; V682-I685 PolarHBondContact O-N 2.74Å; I685-A689 WeakPolarHBondContact O-CB 3.29Å; I685-A689 PolarHBondContact O-N 3.29Å
686L92.3Very high87.6Confident1 Ų140.6 Ų40.61%0.00520%0.201CC..Hα-helixtrans-73.5-30.7-177.3-64.3176.4000113.8V654 V682 R684 R690 P758 F763V654-L686 HydrophobicContact CG2-CD2 3.98Å; V654-L686 HydrophobicContact CG2-CG 4.07Å; V682-L686 HydrophobicContact CG1-CD1 3.75Å; V682-L686 HydrophobicContact CG1-CG 4.33Å; V682-L686 WeakPolarHBondContact O-CG 3.5Å; V682-L686 PolarHBondContact O-N 3.24Å; R684-L686 VanDerWaalsContact C-N 3.3Å; R684-L686 PolarHBondContact O-N 2.73Å; L686-R690 PolarHBondContact O-N 3.41Å; L686-P758 HydrophobicContact CD1-CB 4.16Å; L686-P758 HydrophobicContact CD2-CB 4.07Å; L686-F763 HydrophobicContact CB-CD2 3.87Å; L686-F763 HydrophobicContact CB-CE2 3.9Å; L686-F763 HydrophobicContact CD1-CB 4.41Å; L686-F763 HydrophobicContact CD1-CD2 4.06Å; L686-F763 HydrophobicContact CD1-CG 4.48Å; L686-F763 HydrophobicContact CD2-CD2 3.77Å; L686-F763 HydrophobicContact CD2-CE2 3.91Å; L686-F763 HydrophobicContact CD2-CG 4.15Å; L686-F763 HydrophobicContact CD2-CZ 4.4Å; L686-F763 HydrophobicContact CG-CD2 4.1Å; L686-F763 HydrophobicContact CG-CE2 4.4Å
687N86.2Confident88.1Confident26 Ų2636.1 Ų36.114%0.13918%0.181CC..Hα-helixtrans-74.8-43.5171.5-76.9-72.4000111.3N683 R684 A689 R690 D691N683-N687 WeakPolarHBondContact O-CB 3.4Å; N683-N687 PolarHBondContact O-N 3Å; N683-N687 VanDerWaalsContact O-N 3.08Å; N683-N687 PolarHBondContact O-ND2 2.75Å; R684-N687 PolarHBondContact O-N 2.78Å; N687-A689 PolarHBondContact O-N 2.87Å; N687-R690 PolarHBondContact O-N 2.87Å; N687-D691 PolarHBondContact O-N 3.27Å
688D89.3Confident88.4Confident71 Ų7138.4 Ų38.438%0.3819%0.191SC..Hα-helixtrans-56.7-37.9174.3-74.8-8.1000111.6R684 K692R684-D688 WeakPolarHBondContact O-CB 3.45Å; R684-D688 VanDerWaalsContact O-CG 3.29Å; R684-D688 PolarHBondContact O-N 3.03Å; D688-K692 WeakPolarHBondContact O-CB 3.16Å; D688-K692 VanDerWaalsContact O-CD 3.29Å; D688-K692 WeakPolarHBondContact O-CD 3.26Å; D688-K692 WeakPolarHBondContact O-CG 3.48Å; D688-K692 PolarHBondContact O-N 3.48Å
689A91.5Very high88.3Confident2 Ų245.5 Ų45.52%0.01722%0.222CC..Hα-helixtrans-62.4-52.1175.400000111.9A650 I685 N687 D691 K692 T693A650-A689 HydrophobicContact CB-CB 3.47Å; A650-A689 VanDerWaalsContact CB-CB 3.47Å; I685-A689 WeakPolarHBondContact O-CB 3.29Å; I685-A689 PolarHBondContact O-N 3.29Å; N687-A689 PolarHBondContact O-N 2.87Å; A689-D691 PolarHBondContact O-N 2.92Å; A689-K692 PolarHBondContact O-N 2.88Å; A689-T693 WeakPolarHBondContact O-CG2 3.39Å; A689-T693 PolarHBondContact O-N 3.32Å; A689-T693 PolarHBondContact O-OG1 3.48Å
690R89.2Confident88.4Confident23 Ų2346.1 Ų46.19%0.08723%0.229CC..Hα-helixtrans-56.6-36.5177.9-174.1-153.768.1-164.7-7.5112.7L686 N687 T693 G694 S723L686-R690 PolarHBondContact O-N 3.41Å; N687-R690 PolarHBondContact O-N 2.87Å; R690-T693 PolarHBondContact O-OG1 3.47Å; R690-T693 VanDerWaalsContact O-OG1 3.11Å; R690-G694 PolarHBondContact O-N 2.89Å; R690-S723 PolarHBondContact O-OG 3.33Å
691D87.1Confident88.8Confident83 Ų8342.3 Ų42.344%0.44421%0.208SC..Hα-helixtrans-83.3-30.1-176.6-69.7-9.3000112.2N687 A689 A695N687-D691 PolarHBondContact O-N 3.27Å; A689-D691 PolarHBondContact O-N 2.92Å; D691-A695 VanDerWaalsContact O-CB 3.26Å; D691-A695 WeakPolarHBondContact O-CB 3.42Å; D691-A695 PolarHBondContact O-N 3.05Å
692K91.4Very high88.9Confident118 Ų11842.9 Ų42.951%0.51322%0.218SC..Hα-helixtrans-65.9-53.1167.6-71.9161.7-168.3163.40111.4T646 D688 A689 G694 A695 S696T646-K692 HydrophobicContact CG2-CB 4.02Å; D688-K692 WeakPolarHBondContact O-CB 3.16Å; D688-K692 VanDerWaalsContact O-CD 3.29Å; D688-K692 WeakPolarHBondContact O-CD 3.26Å; D688-K692 WeakPolarHBondContact O-CG 3.48Å; D688-K692 PolarHBondContact O-N 3.48Å; A689-K692 PolarHBondContact O-N 2.88Å; K692-G694 VanDerWaalsContact C-N 3.31Å; K692-G694 PolarHBondContact O-N 3.4Å; K692-A695 PolarHBondContact O-N 3Å; K692-A695 VanDerWaalsContact O-N 3.12Å; K692-S696 PolarHBondContact O-N 3.2Å; K692-S696 PolarHBondContact O-OG 3.44Å
693T91.3Very high88.5Confident0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-61.3-40.1179.158.20000111.9I643 T646 I647 A689 R690 S696 A697 C728I643-T693 HydrophobicContact CB-CG2 4.35Å; I643-T693 HydrophobicContact CG1-CG2 4.41Å; I643-T693 HydrophobicContact CG2-CG2 4Å; T646-T693 HydrophobicContact CG2-CG2 3.72Å; I647-T693 HydrophobicContact CD1-CG2 4.46Å; I647-T693 HydrophobicContact CG1-CG2 4.04Å; A689-T693 WeakPolarHBondContact O-CG2 3.39Å; A689-T693 PolarHBondContact O-N 3.32Å; A689-T693 PolarHBondContact O-OG1 3.48Å; R690-T693 PolarHBondContact O-OG1 3.47Å; R690-T693 VanDerWaalsContact O-OG1 3.11Å; T693-S696 PolarHBondContact O-N 2.86Å; T693-A697 WeakPolarHBondContact O-CB 3.43Å; T693-A697 PolarHBondContact O-N 3.38Å; T693-C728 PolarHBondContact OG1-SG 3.1Å
694G87.9Confident88.6Confident8 Ų857.1 Ų57.18%0.08228%0.277CS..Hα-helixtrans-62.4-39.817300000113.8R690 K692 Q698 S723R690-G694 PolarHBondContact O-N 2.89Å; K692-G694 VanDerWaalsContact C-N 3.31Å; K692-G694 PolarHBondContact O-N 3.4Å; G694-Q698 WeakPolarHBondContact O-CB 3.43Å; G694-Q698 PolarHBondContact O-N 3.39Å; G694-S723 VanDerWaalsContact CA-CB 3.48Å; G694-S723 WeakPolarHBondContact CA-OG 3.37Å
695A89.1Confident88.9Confident40 Ų4050.4 Ų50.433%0.33125%0.253SS..Hα-helixtrans-67.1-40.7175.900000112.2D691 K692 Q698 K699D691-A695 VanDerWaalsContact O-CB 3.26Å; D691-A695 WeakPolarHBondContact O-CB 3.42Å; D691-A695 PolarHBondContact O-N 3.05Å; K692-A695 PolarHBondContact O-N 3Å; K692-A695 VanDerWaalsContact O-N 3.12Å; A695-Q698 PolarHBondContact O-N 2.91Å; A695-K699 VanDerWaalsContact O-CG 3.28Å; A695-K699 WeakPolarHBondContact O-CG 3.41Å; A695-K699 PolarHBondContact O-N 2.99Å
696S90.4Very high88.9Confident12 Ų1251.2 Ų51.28%0.08426%0.257CS..Hα-helixtrans-67.4-42.9176.7-59.60000111.8E642 K692 T693 Q698 K699 S700E642-S696 WeakPolarHBondContact OE1-CB 3.49Å; E642-S696 PolarHBondContact OE1-OG 3.24Å; K692-S696 PolarHBondContact O-N 3.2Å; K692-S696 PolarHBondContact O-OG 3.44Å; T693-S696 PolarHBondContact O-N 2.86Å; S696-Q698 PolarHBondContact O-N 3.24Å; S696-K699 WeakPolarHBondContact O-CB 3.44Å; S696-K699 PolarHBondContact O-N 3.04Å; S696-S700 PolarHBondContact O-N 3.5Å
697A89Confident88.8Confident0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-58.4-43.7169.900000112.5I643 T693 K699 S700 L701 I726 A727I643-A697 HydrophobicContact CD1-CB 4.29Å; T693-A697 WeakPolarHBondContact O-CB 3.43Å; T693-A697 PolarHBondContact O-N 3.38Å; A697-K699 VanDerWaalsContact C-N 3.28Å; A697-K699 PolarHBondContact O-N 2.77Å; A697-S700 PolarHBondContact O-N 3.36Å; A697-S700 PolarHBondContact O-OG 3.38Å; A697-S700 VanDerWaalsContact O-OG 3.14Å; A697-L701 WeakPolarHBondContact O-CG 3.39Å; A697-L701 PolarHBondContact O-N 2.9Å; A697-I726 HydrophobicContact CB-CB 4.38Å; A697-I726 HydrophobicContact CB-CG2 4.11Å; A697-A727 HydrophobicContact CB-CB 4.15Å
698Q85.8Confident89.1Confident50 Ų5052.8 Ų52.823%0.23426%0.263CS..Hα-helixtrans-66.3-29.7178.7-157.2-152.3-47.900112.7G694 A695 S696 K708 K719 I722G694-Q698 WeakPolarHBondContact O-CB 3.43Å; G694-Q698 PolarHBondContact O-N 3.39Å; A695-Q698 PolarHBondContact O-N 2.91Å; S696-Q698 PolarHBondContact O-N 3.24Å; Q698-K708 PolarHBondContact O-NZ 2.92Å; Q698-K719 VanDerWaalsContact OE1-CD 3.31Å; Q698-I722 HydrophobicContact CG-CD1 4.24Å
699K87Confident89.2Confident161 Ų16150.1 Ų50.170%0.725%0.249SC*.Hα-helixtrans-70.8-45.4175.1-74.5167.3-176.6174.50111.8A695 S696 A697 L701A695-K699 VanDerWaalsContact O-CG 3.28Å; A695-K699 WeakPolarHBondContact O-CG 3.41Å; A695-K699 PolarHBondContact O-N 2.99Å; S696-K699 WeakPolarHBondContact O-CB 3.44Å; S696-K699 PolarHBondContact O-N 3.04Å; A697-K699 VanDerWaalsContact C-N 3.28Å; A697-K699 PolarHBondContact O-N 2.77Å; K699-L701 PolarHBondContact O-N 3.05Å
700S88.2Confident89.3Confident39 Ų3951.6 Ų51.627%0.27326%0.256SS..Hα-helixtrans-69.4-30-173.268.70000114.8D636 T639 S696 A697 S702D636-S700 VanDerWaalsContact OD1-CB 3.3Å; D636-S700 WeakPolarHBondContact OD1-CB 3.46Å; T639-S700 WeakPolarHBondContact OG1-CB 3.36Å; S696-S700 PolarHBondContact O-N 3.5Å; A697-S700 PolarHBondContact O-N 3.36Å; A697-S700 PolarHBondContact O-OG 3.38Å; A697-S700 VanDerWaalsContact O-OG 3.14Å; S700-S702 PolarHBondContact O-N 2.87Å
701L88Confident89.5Confident9 Ų951.5 Ų51.55%0.04726%0.258CS..SBendtrans-58.3130.3176.1-66.2-171.7000112A697 K699 N705 K708 I722 I726A697-L701 WeakPolarHBondContact O-CG 3.39Å; A697-L701 PolarHBondContact O-N 2.9Å; K699-L701 PolarHBondContact O-N 3.05Å; L701-N705 HydrophobicContact CB-CB 4.3Å; L701-K708 HydrophobicContact CB-CB 4.39Å; L701-K708 HydrophobicContact CB-CD 3.59Å; L701-K708 HydrophobicContact CD1-CB 4.17Å; L701-K708 WeakPolarHBondContact O-CD 3.45Å; L701-K708 WeakPolarHBondContact O-CE 3.24Å; L701-K708 PolarHBondContact O-NZ 3.42Å; L701-I722 HydrophobicContact CD1-CG2 3.91Å; L701-I726 HydrophobicContact CD1-CD1 3.83Å; L701-I726 HydrophobicContact CD2-CD1 3.85Å; L701-I726 HydrophobicContact CG-CD1 4.2Å
702S88.4Confident89.7Confident65 Ų6550.5 Ų50.546%0.45526%0.255SS..  trans-66.7165.1178.271.80000113.2S700 Y704 N705S700-S702 PolarHBondContact O-N 2.87Å; S702-Y704 PolarHBondContact O-N 3.11Å; S702-Y704 PolarHBondContact OG-N 3.03Å; S702-N705 VanDerWaalsContact O-CB 3.29Å; S702-N705 WeakPolarHBondContact O-CB 3.3Å; S702-N705 PolarHBondContact O-N 3.32Å; S702-N705 PolarHBondContact OG-N 3.15Å
703E84.1Confident89.7Confident135 Ų13545 Ų4563%0.63123%0.231SC*.THydrogen-bonded Turntrans-69.2-13.5172.6-67.2-146.1160.200114.4
704Y86.7Confident89.7Confident182 Ų18246 Ų4671%0.71424%0.242SC*.THydrogen-bonded Turntrans-89.5-11.7176.2-59-74.9000112.5S702 N706S702-Y704 PolarHBondContact O-N 3.11Å; S702-Y704 PolarHBondContact OG-N 3.03Å; Y704-N706 PolarHBondContact O-N 2.64Å
705N91.4Very high89.9Confident10 Ų1046.6 Ų46.65%0.05325%0.245CC..  trans-62126176.3178.4-74.3000110.4D632 L701 S702 F707 K708 T709D632-N705 VanDerWaalsContact CA-ND2 3.3Å; D632-N705 WeakPolarHBondContact CA-ND2 3.2Å; D632-N705 PolarHBondContact O-ND2 3.02Å; L701-N705 HydrophobicContact CB-CB 4.3Å; S702-N705 VanDerWaalsContact O-CB 3.29Å; S702-N705 WeakPolarHBondContact O-CB 3.3Å; S702-N705 PolarHBondContact O-N 3.32Å; S702-N705 PolarHBondContact OG-N 3.15Å; N705-F707 WeakPolarHBondContact OD1-CB 3.33Å; N705-F707 PolarHBondContact OD1-N 3.47Å; N705-F707 VanDerWaalsContact OD1-N 3.07Å; N705-K708 HydrophobicContact CB-CB 4.1Å; N705-K708 WeakPolarHBondContact OD1-CB 3.49Å; N705-K708 PolarHBondContact OD1-N 3.29Å; N705-T709 WeakPolarHBondContact O-CB 3.44Å; N705-T709 PolarHBondContact O-N 3.33Å; N705-T709 PolarHBondContact O-OG1 3.31Å
706N92.2Very high89.9Confident41 Ų4150.8 Ų50.822%0.21926%0.255CS..Hα-helixtrans-72.4-36.1-173.1-65.8-77000112.2H626 S627 I628 D632 Y704 T709 M710H626-N706 PolarHBondContact CE1-OD1 3.15Å; H626-N706 VanDerWaalsContact CE1-OD1 3.29Å; H626-N706 PolarHBondContact ND1-OD1 3.26Å; S627-N706 WeakPolarHBondContact O-CB 3.28Å; S627-N706 PolarHBondContact O-OD1 3.19Å; I628-N706 HydrophobicContact CB-CB 4.49Å; D632-N706 WeakPolarHBondContact OD1-CB 3.37Å; D632-N706 PolarHBondContact OD1-N 3.06Å; D632-N706 PolarHBondContact OD1-ND2 2.99Å; D632-N706 PolarHBondContact OD2-ND2 3.49Å; Y704-N706 PolarHBondContact O-N 2.64Å; N706-T709 WeakPolarHBondContact O-CB 3.37Å; N706-T709 PolarHBondContact O-N 3.21Å; N706-M710 PolarHBondContact O-N 3.35Å
707F91.6Very high89.6Confident21 Ų2152 Ų529%0.09227%0.27CS..Hα-helixtrans-64.9-46.7177.6-169.2-161.3000110.9I628 D632 N705 T709 M710 V711 N721 I722 V725I628-F707 HydrophobicContact CD1-CB 3.71Å; I628-F707 HydrophobicContact CD1-CD2 4.07Å; I628-F707 HydrophobicContact CD1-CG 3.94Å; D632-F707 HydrophobicContact CB-CB 4.16Å; N705-F707 WeakPolarHBondContact OD1-CB 3.33Å; N705-F707 PolarHBondContact OD1-N 3.47Å; N705-F707 VanDerWaalsContact OD1-N 3.07Å; F707-T709 VanDerWaalsContact C-N 3.3Å; F707-T709 PolarHBondContact O-N 3.03Å; F707-M710 PolarHBondContact O-N 3.25Å; F707-V711 HydrophobicContact CD2-CG2 4.17Å; F707-V711 HydrophobicContact CE2-CG2 4.17Å; F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 2.92Å; F707-N721 HydrophobicContact CZ-CB 4.1Å; F707-I722 HydrophobicContact CD1-CG1 4.11Å; F707-I722 HydrophobicContact CE1-CB 4.39Å; F707-I722 HydrophobicContact CE1-CG1 3.86Å; F707-I722 HydrophobicContact CE2-CG1 4.43Å; F707-I722 HydrophobicContact CZ-CG1 4.03Å; F707-V725 HydrophobicContact CE1-CB 4.15Å; F707-V725 HydrophobicContact CE1-CG1 4.29Å; F707-V725 HydrophobicContact CE1-CG2 4.37Å; F707-V725 HydrophobicContact CZ-CG2 4.43Å
708K91.5Very high89.5Confident39 Ų3954.4 Ų54.417%0.1729%0.287CS..Hα-helixtrans-60.6-38.1170.9-176.8158.2171.4170.50111.6Q698 L701 N705 V711 V712Q698-K708 PolarHBondContact O-NZ 2.92Å; L701-K708 HydrophobicContact CB-CB 4.39Å; L701-K708 HydrophobicContact CB-CD 3.59Å; L701-K708 HydrophobicContact CD1-CB 4.17Å; L701-K708 WeakPolarHBondContact O-CD 3.45Å; L701-K708 WeakPolarHBondContact O-CE 3.24Å; L701-K708 PolarHBondContact O-NZ 3.42Å; N705-K708 HydrophobicContact CB-CB 4.1Å; N705-K708 WeakPolarHBondContact OD1-CB 3.49Å; N705-K708 PolarHBondContact OD1-N 3.29Å; K708-V711 PolarHBondContact O-N 2.9Å; K708-V712 HydrophobicContact CG-CG2 4.25Å; K708-V712 WeakPolarHBondContact O-CB 3.31Å; K708-V712 VanDerWaalsContact O-CG2 3.25Å; K708-V712 WeakPolarHBondContact O-CG2 3.48Å; K708-V712 PolarHBondContact O-N 3.04Å
709T92.1Very high89.5Confident15 Ų1558.7 Ų58.79%0.09231%0.305CS..Hα-helixtrans-62.7-45.7176.7-63.70000112.4T509 K513 N705 N706 F707 A713T509-T709 HydrophobicContact CG2-CG2 4.09Å; K513-T709 HydrophobicContact CG-CG2 4.17Å; N705-T709 WeakPolarHBondContact O-CB 3.44Å; N705-T709 PolarHBondContact O-N 3.33Å; N705-T709 PolarHBondContact O-OG1 3.31Å; N706-T709 WeakPolarHBondContact O-CB 3.37Å; N706-T709 PolarHBondContact O-N 3.21Å; F707-T709 VanDerWaalsContact C-N 3.3Å; F707-T709 PolarHBondContact O-N 3.03Å; T709-A713 WeakPolarHBondContact O-CB 3.48Å; T709-A713 PolarHBondContact O-N 3.16Å
710M93.9Very high89.5Confident32 Ų3253.7 Ų53.716%0.15829%0.285CS..Hα-helixtrans-64.1-45.7174.8-71.8-173.4-77.600112.5T509 H626 I628 N706 F707 V712 A713 G714 S715T509-M710 HydrophobicContact CG2-CG 4.12Å; H626-M710 WeakPolarHBondContact NE2-CG 3.31Å; I628-M710 HydrophobicContact CB-CE 3.99Å; I628-M710 HydrophobicContact CD1-CE 3.63Å; I628-M710 HydrophobicContact CG1-CE 4.32Å; I628-M710 HydrophobicContact CG2-CE 4.17Å; N706-M710 PolarHBondContact O-N 3.35Å; F707-M710 PolarHBondContact O-N 3.25Å; M710-V712 VanDerWaalsContact C-N 3.34Å; M710-V712 PolarHBondContact O-N 3.29Å; M710-A713 PolarHBondContact O-N 2.89Å; M710-G714 PolarHBondContact O-N 3.46Å; M710-S715 PolarHBondContact O-N 2.92Å; M710-S715 PolarHBondContact O-OG 3.21Å
711V91.7Very high89.5Confident21 Ų2154.5 Ų54.513%0.12729%0.286CS..Hα-helixtrans-64.3-37.6-179171.30000111.9F707 K708 G714 I722F707-V711 HydrophobicContact CD2-CG2 4.17Å; F707-V711 HydrophobicContact CE2-CG2 4.17Å; F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 2.92Å; K708-V711 PolarHBondContact O-N 2.9Å; V711-G714 PolarHBondContact O-N 2.63Å; V711-I722 HydrophobicContact CB-CD1 4.09Å; V711-I722 HydrophobicContact CG1-CD1 4.02Å; V711-I722 HydrophobicContact CG2-CD1 3.99Å; V711-I722 HydrophobicContact CG2-CG1 4.22Å
712V91.1Very high89.6Confident63 Ų6354.1 Ų54.138%0.38228%0.284SS..Hα-helixtrans-82.8-21.8177.5-175.40000112.5R512 K708 M710 G714R512-V712 VanDerWaalsContact CZ-CG1 3.45Å; K708-V712 HydrophobicContact CG-CG2 4.25Å; K708-V712 WeakPolarHBondContact O-CB 3.31Å; K708-V712 VanDerWaalsContact O-CG2 3.25Å; K708-V712 WeakPolarHBondContact O-CG2 3.48Å; K708-V712 PolarHBondContact O-N 3.04Å; M710-V712 VanDerWaalsContact C-N 3.34Å; M710-V712 PolarHBondContact O-N 3.29Å; V712-G714 VanDerWaalsContact C-N 3.3Å
713A92Very high89.7Confident1 Ų151.2 Ų51.21%0.00826%0.264CS..Hα-helixtrans-68-33.4163.300000111.8R512 K583 T709 M710R512-A713 HydrophobicContact CB-CB 3.93Å; R512-A713 HydrophobicContact CG-CB 4.44Å; K583-A713 WeakPolarHBondContact CB-O 3.39Å; K583-A713 PolarHBondContact N-O 2.97Å; T709-A713 WeakPolarHBondContact O-CB 3.48Å; T709-A713 PolarHBondContact O-N 3.16Å; M710-A713 PolarHBondContact O-N 2.89Å
714G91.5Very high90Very high23 Ų2346.4 Ų46.424%0.23724%0.241CC..THydrogen-bonded Turntrans81.717.8-171.300000113.3M710 V711 V712M710-G714 PolarHBondContact O-N 3.46Å; V711-G714 PolarHBondContact O-N 2.63Å; V712-G714 VanDerWaalsContact C-N 3.3Å
715S91.4Very high90.3Very high19 Ų1939.4 Ų39.413%0.13322%0.218CC..SBendtrans-78.5-44.3-177.151.20000112.9Q505 T509 M710Q505-S715 VanDerWaalsContact O-CB 3.27Å; Q505-S715 WeakPolarHBondContact O-CB 3.49Å; T509-S715 VanDerWaalsContact OG1-CB 3.22Å; T509-S715 WeakPolarHBondContact OG1-CB 3.3Å; T509-S715 PolarHBondContact OG1-OG 3.07Å; M710-S715 PolarHBondContact O-N 2.92Å; M710-S715 PolarHBondContact O-OG 3.21Å
716K90Very high90.3Very high128 Ų12839.2 Ų39.256%0.55722%0.217SC*.SBendtrans-155151.6170.4-155.2140-176.6171.40111.7
717G84.9Confident90.3Very high37 Ų3737.6 Ų37.638%0.38121%0.209SC..  trans76.5176-17600000113.9
718S86.2Confident90.3Very high52 Ų5236.6 Ų36.636%0.36421%0.205SC..  trans-154.8174.2-179690000110.9I720 N721 I722S718-I720 VanDerWaalsContact C-N 3.3Å; S718-I720 PolarHBondContact O-N 2.97Å; S718-I720 WeakPolarHBondContact OG-CG2 3.44Å; S718-N721 PolarHBondContact N-OD1 2.88Å; S718-N721 WeakPolarHBondContact O-CB 3.05Å; S718-N721 PolarHBondContact O-N 2.69Å; S718-N721 PolarHBondContact OG-OD1 3.47Å; S718-I722 PolarHBondContact O-N 3.04Å
719K85.6Confident90.3Very high140 Ų14034.9 Ų34.961%0.60920%0.197SC*.Hα-helixtrans-55.9-39.2-177.7-61.7-177.5178.3178.90113.4Q698 N721 I722 S723Q698-K719 VanDerWaalsContact OE1-CD 3.31Å; K719-N721 VanDerWaalsContact C-N 3.3Å; K719-N721 PolarHBondContact O-N 2.93Å; K719-I722 PolarHBondContact O-N 2.68Å; K719-S723 PolarHBondContact O-N 2.91Å; K719-S723 VanDerWaalsContact O-N 3.12Å
720I86.3Confident90.3Very high55 Ų5534.2 Ų34.228%0.28219%0.194SC..Hα-helixtrans-65.6-33.5178.1-165.2173.3000111.7S718 I722 S723 Q724S718-I720 VanDerWaalsContact C-N 3.3Å; S718-I720 PolarHBondContact O-N 2.97Å; S718-I720 WeakPolarHBondContact OG-CG2 3.44Å; I720-I722 VanDerWaalsContact C-N 3.33Å; I720-I722 PolarHBondContact O-N 2.63Å; I720-S723 WeakPolarHBondContact O-CB 3.29Å; I720-S723 PolarHBondContact O-N 2.95Å; I720-S723 VanDerWaalsContact O-N 3.17Å; I720-Q724 HydrophobicContact CG1-CG 4.15Å; I720-Q724 WeakPolarHBondContact O-CG 3.32Å; I720-Q724 PolarHBondContact O-N 3.29Å
721N90Very high90.2Very high57 Ų5733 Ų3331%0.30519%0.188SC..Hα-helixtrans-68.5-34.1177.9-51117.4000111.6F707 S718 K719 V725F707-N721 HydrophobicContact CZ-CB 4.1Å; S718-N721 PolarHBondContact N-OD1 2.88Å; S718-N721 WeakPolarHBondContact O-CB 3.05Å; S718-N721 PolarHBondContact O-N 2.69Å; S718-N721 PolarHBondContact OG-OD1 3.47Å; K719-N721 VanDerWaalsContact C-N 3.3Å; K719-N721 PolarHBondContact O-N 2.93Å; N721-V725 VanDerWaalsContact O-CB 3.3Å; N721-V725 WeakPolarHBondContact O-CB 3.28Å; N721-V725 WeakPolarHBondContact O-CG2 3.16Å; N721-V725 PolarHBondContact O-N 3.37Å
722I89.4Confident90.1Very high1 Ų132.5 Ų32.51%0.00518%0.184CC..Hα-helixtrans-63.5-47.1170.2-61.2176.6000109.7Q698 L701 F707 V711 S718 K719 I720 Q724 I726Q698-I722 HydrophobicContact CG-CD1 4.24Å; L701-I722 HydrophobicContact CD1-CG2 3.91Å; F707-I722 HydrophobicContact CD1-CG1 4.11Å; F707-I722 HydrophobicContact CE1-CB 4.39Å; F707-I722 HydrophobicContact CE1-CG1 3.86Å; F707-I722 HydrophobicContact CE2-CG1 4.43Å; F707-I722 HydrophobicContact CZ-CG1 4.03Å; V711-I722 HydrophobicContact CB-CD1 4.09Å; V711-I722 HydrophobicContact CG1-CD1 4.02Å; V711-I722 HydrophobicContact CG2-CD1 3.99Å; V711-I722 HydrophobicContact CG2-CG1 4.22Å; S718-I722 PolarHBondContact O-N 3.04Å; K719-I722 PolarHBondContact O-N 2.68Å; I720-I722 VanDerWaalsContact C-N 3.33Å; I720-I722 PolarHBondContact O-N 2.63Å; I722-Q724 PolarHBondContact O-N 3Å; I722-I726 HydrophobicContact CG2-CD1 3.91Å; I722-I726 HydrophobicContact CG2-CG1 4.38Å; I722-I726 WeakPolarHBondContact O-CB 3.27Å; I722-I726 WeakPolarHBondContact O-CG1 3.37Å; I722-I726 PolarHBondContact O-N 2.84Å
723S89.7Confident89.7Confident4 Ų429.7 Ų29.73%0.02817%0.167CC..Iπ-helixtrans-57.8-48.4177.4-1720000112.8R690 G694 K719 I720 A727 C728R690-S723 PolarHBondContact O-OG 3.33Å; G694-S723 VanDerWaalsContact CA-CB 3.48Å; G694-S723 WeakPolarHBondContact CA-OG 3.37Å; K719-S723 PolarHBondContact O-N 2.91Å; K719-S723 VanDerWaalsContact O-N 3.12Å; I720-S723 WeakPolarHBondContact O-CB 3.29Å; I720-S723 PolarHBondContact O-N 2.95Å; I720-S723 VanDerWaalsContact O-N 3.17Å; S723-A727 CarbonylContact O-C 3.59Å; S723-A727 WeakPolarHBondContact O-CA 3.39Å; S723-A727 WeakPolarHBondContact O-CB 3.23Å; S723-A727 PolarHBondContact O-N 2.72Å; S723-C728 PolarHBondContact O-N 3.41Å
724Q90.6Very high89.2Confident33 Ų3331.1 Ų31.115%0.15418%0.175CC..Iπ-helixtrans-72.5-33.8-175.8-63.9-179.7-45.200113.9I720 I722 C728 V729 S767 Y768I720-Q724 HydrophobicContact CG1-CG 4.15Å; I720-Q724 WeakPolarHBondContact O-CG 3.32Å; I720-Q724 PolarHBondContact O-N 3.29Å; I722-Q724 PolarHBondContact O-N 3Å; Q724-C728 WeakPolarHBondContact CA-O 3.16Å; Q724-V729 HydrophobicContact CG-CG1 4.47Å; Q724-V729 PolarHBondContact NE2-O 2.95Å; Q724-S767 WeakPolarHBondContact O-CA 3.26Å; Q724-Y768 HydrophobicContact CB-CD2 4.13Å; Q724-Y768 HydrophobicContact CB-CE2 3.72Å; Q724-Y768 WeakPolarHBondContact O-CD2 3.45Å; Q724-Y768 PolarHBondContact O-N 2.57Å
725V92.9Very high88.4Confident35 Ų3536.9 Ų36.921%0.21220%0.196CC..Iπ-helixtrans-75.8-38.3177.8171.80000111.5T633 F707 N721 S767 Y768 L769T633-V725 HydrophobicContact CG2-CG1 3.56Å; F707-V725 HydrophobicContact CE1-CB 4.15Å; F707-V725 HydrophobicContact CE1-CG1 4.29Å; F707-V725 HydrophobicContact CE1-CG2 4.37Å; F707-V725 HydrophobicContact CZ-CG2 4.43Å; N721-V725 VanDerWaalsContact O-CB 3.3Å; N721-V725 WeakPolarHBondContact O-CB 3.28Å; N721-V725 WeakPolarHBondContact O-CG2 3.16Å; N721-V725 PolarHBondContact O-N 3.37Å; V725-S767 WeakPolarHBondContact O-CB 3.34Å; V725-S767 PolarHBondContact O-OG 3.26Å; V725-Y768 HydrophobicContact CG2-CD2 4Å; V725-L769 VanDerWaalsContact O-CB 3.26Å; V725-L769 WeakPolarHBondContact O-CB 3.21Å; V725-L769 PolarHBondContact O-N 3.41Å
726I92.2Very high87.4Confident7 Ų737.8 Ų37.84%0.03621%0.208CC..Iπ-helixtrans-100.4-49.2-170.9-53.1-165.9000112.5T633 A635 A697 L701 I722 S767T633-I726 WeakPolarHBondContact O-CD1 3Å; T633-I726 VanDerWaalsContact O-CG1 3.27Å; T633-I726 WeakPolarHBondContact O-CG1 3.44Å; T633-I726 WeakPolarHBondContact O-CG2 3.41Å; A635-I726 HydrophobicContact CB-CG2 3.72Å; A697-I726 HydrophobicContact CB-CB 4.38Å; A697-I726 HydrophobicContact CB-CG2 4.11Å; L701-I726 HydrophobicContact CD1-CD1 3.83Å; L701-I726 HydrophobicContact CD2-CD1 3.85Å; L701-I726 HydrophobicContact CG-CD1 4.2Å; I722-I726 HydrophobicContact CG2-CD1 3.91Å; I722-I726 HydrophobicContact CG2-CG1 4.38Å; I722-I726 WeakPolarHBondContact O-CB 3.27Å; I722-I726 WeakPolarHBondContact O-CG1 3.37Å; I722-I726 PolarHBondContact O-N 2.84Å; I726-S767 VanDerWaalsContact C-CB 3.47Å; I726-S767 WeakPolarHBondContact O-CB 3.32Å; I726-S767 PolarHBondContact O-OG 2.93Å; I726-S767 VanDerWaalsContact O-OG 3.12Å
727A91.8Very high86.8Confident7 Ų738 Ų386%0.05821%0.21CC..Iπ-helixtrans-97.6-69-167.500000114I643 A697 S723I643-A727 HydrophobicContact CD1-CB 3.78Å; I643-A727 HydrophobicContact CG1-CB 4.25Å; I643-A727 HydrophobicContact CG2-CB 4.23Å; A697-A727 HydrophobicContact CB-CB 4.15Å; S723-A727 CarbonylContact O-C 3.59Å; S723-A727 WeakPolarHBondContact O-CA 3.39Å; S723-A727 WeakPolarHBondContact O-CB 3.23Å; S723-A727 PolarHBondContact O-N 2.72Å
728C91.9Very high87Confident0 Ų036.3 Ų36.30%019%0.191CC..  trans-162.6143.9179.259.60000111.4I647 T693 S723 Q724 E765 N766I647-C728 HydrophobicContact CD1-CB 4.07Å; T693-C728 PolarHBondContact OG1-SG 3.1Å; S723-C728 PolarHBondContact O-N 3.41Å; Q724-C728 WeakPolarHBondContact CA-O 3.16Å; C728-E765 WeakPolarHBondContact CB-O 3.4Å; C728-N766 WeakPolarHBondContact CA-O 3.32Å
729V91.9Very high87.3Confident3 Ų333.9 Ų33.92%0.01818%0.175CC..  trans-72.1-34.1178.8-174.60000112.2Q724 V764 N766 Y768 L772Q724-V729 HydrophobicContact CG-CG1 4.47Å; Q724-V729 PolarHBondContact NE2-O 2.95Å; V729-V764 HydrophobicContact CB-CB 4.04Å; V729-V764 HydrophobicContact CB-CG1 3.69Å; V729-V764 HydrophobicContact CG2-CG1 4.05Å; V729-N766 PolarHBondContact N-O 3.29Å; V729-Y768 HydrophobicContact CG1-CE1 4.34Å; V729-Y768 HydrophobicContact CG2-CD1 3.88Å; V729-Y768 HydrophobicContact CG2-CD2 4.32Å; V729-Y768 HydrophobicContact CG2-CE1 3.64Å; V729-Y768 HydrophobicContact CG2-CE2 4.12Å; V729-Y768 HydrophobicContact CG2-CG 4.21Å; V729-L772 HydrophobicContact CG2-CD2 4.21Å
730G91.4Very high87.6Confident1 Ų130.7 Ų30.71%0.0117%0.168CC..EExtended strand (participates in β ladder)trans93.2-172.7174.200000115.3Q732 V764G730-Q732 PolarHBondContact O-N 3.26Å; G730-Q732 PolarHBondContact O-NE2 3.47Å; G730-V764 WeakPolarHBondContact CA-O 3.47Å; G730-V764 PolarHBondContact N-O 3.4Å; G730-V764 WeakPolarHBondContact O-CB 3.35Å; G730-V764 PolarHBondContact O-N 3.18Å
731Q90.7Very high88Confident7 Ų730.2 Ų30.23%0.03316%0.164CC..EExtended strand (participates in β ladder)trans-58.4130.4180-176.961.358.500112.1R738 R761 G762 F763Q731-R738 HydrophobicContact CG-CG 4.11Å; Q731-R761 PolarHBondContact NE2-O 3.22Å; Q731-G762 PolarHBondContact NE2-O 3.38Å; Q731-F763 HydrophobicContact CB-CD2 4.09Å
732Q90.3Very high88Confident10 Ų1030.8 Ų30.85%0.04718%0.183CC..  trans-96.3130.8169.7-51.4-57.4-70.300109.5G730 I739 G762 V764 H780G730-Q732 PolarHBondContact O-N 3.26Å; G730-Q732 PolarHBondContact O-NE2 3.47Å; Q732-I739 HydrophobicContact CB-CD1 4.27Å; Q732-G762 WeakPolarHBondContact CB-O 3.02Å; Q732-G762 WeakPolarHBondContact CG-O 3.18Å; Q732-G762 PolarHBondContact N-O 2.74Å; Q732-V764 HydrophobicContact CG-CG2 3.68Å; Q732-H780 HydrophobicContact CG-CB 4.37Å; Q732-H780 PolarHBondContact OE1-ND1 3.05Å
733N83.4Confident88.2Confident4 Ų435.7 Ų35.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-116.2155178.2-69.7-89.5000111.3K737 R738 G1052 S1054N733-K737 CarbonylContact C-O 3.58Å; N733-K737 WeakPolarHBondContact CA-O 3.22Å; N733-K737 WeakPolarHBondContact CB-O 3.27Å; N733-K737 PolarHBondContact OD1-O 2.9Å; N733-R738 PolarHBondContact OD1-N 3.04Å; N733-R738 VanDerWaalsContact OD1-N 3.17Å; N733-G1052 PolarHBondContact N-O 3.25Å; N733-G1052 PolarHBondContact ND2-O 2.9Å; N733-S1054 PolarHBondContact ND2-OG 2.95Å; N733-S1054 PolarHBondContact OD1-OG 2.79Å
734V81.9Confident88.3Confident31 Ų3145.1 Ų45.119%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-138.7133.7170.51720000107.3G736 K737 I739 M782 E786V734-G736 PolarHBondContact O-N 2.72Å; V734-K737 PolarHBondContact N-O 3.47Å; V734-K737 PolarHBondContact O-N 2.91Å; V734-K737 VanDerWaalsContact O-O 3.06Å; V734-I739 HydrophobicContact CG2-CD1 3.85Å; V734-M782 HydrophobicContact CG2-CB 4.16Å; V734-E786 WeakPolarHBondContact CA-OE2 3.2Å
735E73.9Confident88.4Confident143 Ų14347.9 Ų47.967%0.66825%0.253SS*.THydrogen-bonded Turntrans52.234.1-172.2-60.9-177.3172.300113.1K737 E786E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 2.79Å; E735-E786 WeakPolarHBondContact CA-OE1 3.32Å; E735-E786 PolarHBondContact N-OE1 2.85Å
736G69.5Low88.5Confident39 Ų3949.6 Ų49.640%0.40226%0.255SS..THydrogen-bonded Turntrans72.37.9-176.800000115.6V734V734-G736 PolarHBondContact O-N 2.72Å
737K79.2Confident88.6Confident133 Ų13349.5 Ų49.558%0.57826%0.255SS*.EExtended strand (participates in β ladder)trans-121.3156.3-177.4-62.3161.5-169.4155.80111.1N733 V734 E735N733-K737 CarbonylContact C-O 3.58Å; N733-K737 WeakPolarHBondContact CA-O 3.22Å; N733-K737 WeakPolarHBondContact CB-O 3.27Å; N733-K737 PolarHBondContact OD1-O 2.9Å; V734-K737 PolarHBondContact N-O 3.47Å; V734-K737 PolarHBondContact O-N 2.91Å; V734-K737 VanDerWaalsContact O-O 3.06Å; E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 2.79Å
738R89.1Confident88.8Confident0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-58.4143.4169.3-56.2-168.6-61.9149.32.5110.1E679 N683 Q731 N733 Y756 R761E679-R738 IonicContact OE1-CZ 2.69Å; E679-R738 IonicContact OE1-NE 2.69Å; E679-R738 IonicContact OE1-NH2 2.68Å; E679-R738 PolarHBondContact OE1-NH2 3.03Å; E679-R738 IonicContact OE2-CZ 2.89Å; E679-R738 IonicContact OE2-NE 3.26Å; E679-R738 PolarHBondContact OE2-NE 3.36Å; E679-R738 IonicContact OE2-NH2 2.68Å; E679-R738 PolarHBondContact OE2-NH2 3.39Å; N683-R738 VanDerWaalsContact OD1-CG 3.29Å; N683-R738 WeakPolarHBondContact OD1-CG 3.35Å; Q731-R738 HydrophobicContact CG-CG 4.11Å; N733-R738 PolarHBondContact OD1-N 3.04Å; N733-R738 VanDerWaalsContact OD1-N 3.17Å; R738-Y756 PolarHBondContact NH1-O 2.94Å; R738-Y756 PolarHBondContact NH2-O 3.3Å; R738-R761 HydrophobicContact CB-CB 4.04Å; R738-R761 PolarHBondContact O-NH2 2.84Å
739I92.1Very high88.9Confident2 Ų252.8 Ų52.81%0.0128%0.275CS..  trans-37.7121.2-169.9-57.2-61.5000112.1Q732 V734 T747 R761 F779 M782Q732-I739 HydrophobicContact CB-CD1 4.27Å; V734-I739 HydrophobicContact CG2-CD1 3.85Å; I739-T747 HydrophobicContact CB-CG2 4.34Å; I739-T747 HydrophobicContact CG2-CG2 4.04Å; I739-T747 WeakPolarHBondContact O-CG2 3.45Å; I739-R761 PolarHBondContact N-O 3.2Å; I739-R761 VanDerWaalsContact O-CZ 3.31Å; I739-R761 PolarHBondContact O-NE 2.87Å; I739-R761 PolarHBondContact O-NH2 2.69Å; I739-F779 HydrophobicContact CB-CD1 4.28Å; I739-F779 HydrophobicContact CD1-CB 4.32Å; I739-F779 HydrophobicContact CD1-CD1 4.5Å; I739-F779 HydrophobicContact CG1-CB 4.08Å; I739-F779 HydrophobicContact CG1-CD1 3.91Å; I739-F779 HydrophobicContact CG1-CG 4.09Å; I739-F779 HydrophobicContact CG2-CD1 3.78Å; I739-F779 HydrophobicContact CG2-CE1 3.83Å; I739-M782 HydrophobicContact CD1-CB 4.3Å; I739-M782 HydrophobicContact CG2-SD 4.04Å
740P91.5Very high89Confident73 Ų7360.3 Ų60.347%0.47431%0.31SS..  trans-71.5157.9-174.228.2-35.2000112.6G742P740-G742 VanDerWaalsContact C-N 3.3Å; P740-G742 PolarHBondContact O-N 2.96Å
741F94.2Very high89.1Confident45 Ų4561.8 Ų61.820%0.19732%0.316CS..  trans-7082.2172.6-69.6-20.9000111.4F743 R746 T747 D755 Y756 R761F741-F743 VanDerWaalsContact C-N 3.28Å; F741-F743 CarbonylContact C-O 3.57Å; F741-F743 PolarHBondContact O-N 3.05Å; F741-R746 CarbonylContact C-O 3.53Å; F741-R746 WeakPolarHBondContact CA-O 3.47Å; F741-R746 VanDerWaalsContact CD1-CA 3.47Å; F741-T747 HydrophobicContact CD1-CG2 3.76Å; F741-T747 HydrophobicContact CE1-CG2 4.16Å; F741-D755 WeakPolarHBondContact CE1-O 3.32Å; F741-D755 WeakPolarHBondContact CZ-O 3.42Å; F741-Y756 AromaticContact CE2-CE1 3.94Å; F741-Y756 HydrophobicContact CE2-CE1 3.94Å; F741-Y756 HydrophobicContact CE2-CE2 4.22Å; F741-Y756 AromaticContact CE2-CZ 3.69Å; F741-Y756 HydrophobicContact CZ-CD1 4.28Å; F741-Y756 HydrophobicContact CZ-CE1 4.01Å; F741-Y756 HydrophobicContact CZ-CE2 4.3Å; F741-R761 VanDerWaalsContact CE1-CD 3.44Å
742G90.4Very high89.3Confident69 Ų6967.4 Ų67.471%0.71134%0.344SS*.  trans-70.8-18.5177.700000114.6P740 R746P740-G742 VanDerWaalsContact C-N 3.3Å; P740-G742 PolarHBondContact O-N 2.96Å; G742-R746 PolarHBondContact N-O 3.38Å
743F93.1Very high89.5Confident103 Ų10373.1 Ų73.145%0.45237%0.369SS..BIsolated β-bridgetrans-106.8164.6167-62.1-93.2000109.7F741 H745 R746 T747 L748F741-F743 VanDerWaalsContact C-N 3.28Å; F741-F743 CarbonylContact C-O 3.57Å; F741-F743 PolarHBondContact O-N 3.05Å; F743-H745 PolarHBondContact O-N 2.94Å; F743-R746 WeakPolarHBondContact CA-O 3.48Å; F743-R746 HydrophobicContact CB-CG 3.9Å; F743-R746 WeakPolarHBondContact CB-O 3.2Å; F743-R746 PolarHBondContact N-O 3.27Å; F743-R746 PolarHBondContact O-N 2.94Å; F743-R746 VanDerWaalsContact O-O 3.09Å; F743-T747 WeakPolarHBondContact CD2-O 3.28Å; F743-L748 HydrophobicContact CE2-CD2 4.38Å
744R93.1Very high89.9Confident203 Ų20376.2 Ų76.277%0.76639%0.386SS*.THydrogen-bonded Turntrans-51.5101.4177.8-176175.5179.6-178.60.7110.9R746R744-R746 VanDerWaalsContact C-N 3.34Å; R744-R746 PolarHBondContact O-N 3.28Å
745H92.6Very high90.5Very high91 Ų9176.6 Ų76.642%0.42139%0.387SS..THydrogen-bonded Turntrans60.227.1-178.5-64.5-112.4000115.8F743 K753 D754F743-H745 PolarHBondContact O-N 2.94Å; H745-K753 HydrophobicContact CB-CB 4.12Å; H745-K753 HydrophobicContact CB-CG 4.37Å; H745-K753 CarbonylContact O-C 3.48Å; H745-K753 WeakPolarHBondContact O-CA 3.22Å; H745-D754 WeakPolarHBondContact CB-OD2 3.35Å; H745-D754 IonicContact CE1-OD1 2.76Å; H745-D754 IonicContact CG-OD1 3.84Å; H745-D754 IonicContact CG-OD2 3.58Å; H745-D754 VanDerWaalsContact ND1-CG 3.34Å; H745-D754 IonicContact ND1-OD1 2.92Å; H745-D754 PolarHBondContact ND1-OD1 2.85Å; H745-D754 IonicContact ND1-OD2 3.64Å; H745-D754 PolarHBondContact ND1-OD2 2.72Å; H745-D754 VanDerWaalsContact ND1-OD2 3.1Å; H745-D754 PolarHBondContact O-N 3.3Å
746R94.2Very high91.4Very high71 Ų7171.5 Ų71.527%0.26836%0.362SS..BIsolated β-bridgetrans-159.4159.1175.457.9-170.2178.6154.66114F741 G742 F743 R744 L748 P749 F751 I752F741-R746 CarbonylContact C-O 3.53Å; F741-R746 WeakPolarHBondContact CA-O 3.47Å; F741-R746 VanDerWaalsContact CD1-CA 3.47Å; G742-R746 PolarHBondContact N-O 3.38Å; F743-R746 WeakPolarHBondContact CA-O 3.48Å; F743-R746 HydrophobicContact CB-CG 3.9Å; F743-R746 WeakPolarHBondContact CB-O 3.2Å; F743-R746 PolarHBondContact N-O 3.27Å; F743-R746 PolarHBondContact O-N 2.94Å; F743-R746 VanDerWaalsContact O-O 3.09Å; R744-R746 VanDerWaalsContact C-N 3.34Å; R744-R746 PolarHBondContact O-N 3.28Å; R746-L748 WeakPolarHBondContact CD-O 3.17Å; R746-P749 PolarHBondContact NH1-O 3.09Å; R746-F751 VanDerWaalsContact CD-O 3.23Å; R746-F751 WeakPolarHBondContact CD-O 3.38Å; R746-F751 PolarHBondContact NH1-O 3.04Å; R746-I752 WeakPolarHBondContact CB-O 3.43Å
747T94.4Very high92.5Very high4 Ų470.4 Ų70.43%0.02535%0.35CS..SBendtrans-79.1-39.5-179.352.90000113.2I739 F741 F743 F751 S760I739-T747 HydrophobicContact CB-CG2 4.34Å; I739-T747 HydrophobicContact CG2-CG2 4.04Å; I739-T747 WeakPolarHBondContact O-CG2 3.45Å; F741-T747 HydrophobicContact CD1-CG2 3.76Å; F741-T747 HydrophobicContact CE1-CG2 4.16Å; F743-T747 WeakPolarHBondContact CD2-O 3.28Å; T747-F751 WeakPolarHBondContact OG1-CD2 3.35Å; T747-S760 VanDerWaalsContact CB-O 3.28Å; T747-S760 WeakPolarHBondContact CB-O 3.39Å; T747-S760 WeakPolarHBondContact CG2-O 3.17Å; T747-S760 PolarHBondContact OG1-O 2.96Å
748L95.1Very high93.2Very high14 Ų1464.5 Ų64.57%0.07333%0.326CS..SBendtrans-137.4158.9177.1-71.4178.7000111.1F743 R746 H750 F751 F778 F779F743-L748 HydrophobicContact CE2-CD2 4.38Å; R746-L748 WeakPolarHBondContact CD-O 3.17Å; L748-H750 PolarHBondContact O-N 3.43Å; L748-H750 VanDerWaalsContact O-N 3.12Å; L748-F751 HydrophobicContact CB-CD2 3.95Å; L748-F751 HydrophobicContact CB-CE2 4.26Å; L748-F751 HydrophobicContact CD1-CE2 4.24Å; L748-F751 PolarHBondContact O-N 3.09Å; L748-F778 HydrophobicContact CD1-CD1 4.37Å; L748-F778 HydrophobicContact CD2-CD1 3.76Å; L748-F778 HydrophobicContact CD2-CE1 3.72Å; L748-F779 HydrophobicContact CD1-CE1 3.79Å; L748-F779 HydrophobicContact CD1-CE2 4.25Å; L748-F779 HydrophobicContact CD1-CZ 3.58Å; L748-F779 HydrophobicContact CG-CE1 3.75Å; L748-F779 HydrophobicContact CG-CZ 3.76Å
749P94.8Very high93.3Very high63 Ų6369.3 Ų69.341%0.40935%0.348SS..THydrogen-bonded Turntrans-65.6-11.3175.928.2-36.8000114.3R746R746-P749 PolarHBondContact NH1-O 3.09Å
750H93.9Very high93.4Very high161 Ų16169.2 Ų69.275%0.74535%0.348SS*.THydrogen-bonded Turntrans-81.5-25.1178.8-54.8-68.5000113.8L748L748-H750 PolarHBondContact O-N 3.43Å; L748-H750 VanDerWaalsContact O-N 3.12Å
751F94.8Very high93.5Very high31 Ų3166.5 Ų66.514%0.13633%0.328CS..SBendtrans-88.8160177.8-63.7-72000111.5R746 T747 L748 E759 F779R746-F751 VanDerWaalsContact CD-O 3.23Å; R746-F751 WeakPolarHBondContact CD-O 3.38Å; R746-F751 PolarHBondContact NH1-O 3.04Å; T747-F751 WeakPolarHBondContact OG1-CD2 3.35Å; L748-F751 HydrophobicContact CB-CD2 3.95Å; L748-F751 HydrophobicContact CB-CE2 4.26Å; L748-F751 HydrophobicContact CD1-CE2 4.24Å; L748-F751 PolarHBondContact O-N 3.09Å; F751-E759 HydrophobicContact CE1-CB 4.3Å; F751-F779 HydrophobicContact CD2-CZ 4.43Å; F751-F779 AromaticContact CE2-CE2 3.83Å; F751-F779 HydrophobicContact CE2-CE2 3.83Å; F751-F779 AromaticContact CE2-CZ 3.75Å; F751-F779 HydrophobicContact CE2-CZ 3.75Å; F751-F779 HydrophobicContact CZ-CE2 4.28Å
752I94.4Very high93.4Very high125 Ų12564.3 Ų64.364%0.64132%0.318SS*.PPolyproline II helixtrans-70.4174170.765179.3000110.5R746 D755R746-I752 WeakPolarHBondContact CB-O 3.43Å; I752-D755 HydrophobicContact CG1-CB 3.84Å
753K94.5Very high93.6Very high131 Ų13161.3 Ų61.357%0.5729%0.286SS*.THydrogen-bonded Turntrans-79147.7173.9-67.3176-172.2162.20110.1H745 D755H745-K753 HydrophobicContact CB-CB 4.12Å; H745-K753 HydrophobicContact CB-CG 4.37Å; H745-K753 CarbonylContact O-C 3.48Å; H745-K753 WeakPolarHBondContact O-CA 3.22Å; K753-D755 PolarHBondContact O-N 3.37Å
754D92.4Very high93.7Very high69 Ų6956.4 Ų56.437%0.36926%0.264SS..THydrogen-bonded Turntrans56.428.9178.4-60.5-75.2000113.3H745 Y756H745-D754 WeakPolarHBondContact CB-OD2 3.35Å; H745-D754 IonicContact CE1-OD1 2.76Å; H745-D754 IonicContact CG-OD1 3.84Å; H745-D754 IonicContact CG-OD2 3.58Å; H745-D754 VanDerWaalsContact ND1-CG 3.34Å; H745-D754 IonicContact ND1-OD1 2.92Å; H745-D754 PolarHBondContact ND1-OD1 2.85Å; H745-D754 IonicContact ND1-OD2 3.64Å; H745-D754 PolarHBondContact ND1-OD2 2.72Å; H745-D754 VanDerWaalsContact ND1-OD2 3.1Å; H745-D754 PolarHBondContact O-N 3.3Å; D754-Y756 HydrophobicContact CB-CE2 4.21Å; D754-Y756 WeakPolarHBondContact O-CD2 3.13Å; D754-Y756 WeakPolarHBondContact O-CE2 3.1Å; D754-Y756 PolarHBondContact O-N 3.39Å
755D93Very high93.7Very high38 Ų3849.2 Ų49.220%0.20324%0.239CC..  trans-75.1100.7173.2-172-19.9000110.6F741 I752 K753 G757 S760 R761F741-D755 WeakPolarHBondContact CE1-O 3.32Å; F741-D755 WeakPolarHBondContact CZ-O 3.42Å; I752-D755 HydrophobicContact CG1-CB 3.84Å; K753-D755 PolarHBondContact O-N 3.37Å; D755-G757 PolarHBondContact OD1-N 2.68Å; D755-S760 WeakPolarHBondContact O-CB 3.4Å; D755-S760 PolarHBondContact O-OG 3.33Å; D755-S760 WeakPolarHBondContact OD1-CB 3.32Å; D755-S760 WeakPolarHBondContact OD2-CB 3.36Å; D755-R761 WeakPolarHBondContact O-CD 3.3Å
756Y92.9Very high93.7Very high36 Ų3646.8 Ų46.814%0.14123%0.23CC..  trans-90.63.2174.9-68.9-84.2000114.1R675 F678 R738 F741 D754 R761R675-Y756 PolarHBondContact NH2-OH 3.48Å; F678-Y756 AromaticContact CE1-CD1 3.84Å; F678-Y756 HydrophobicContact CE1-CD1 3.84Å; F678-Y756 HydrophobicContact CE1-CG 4.04Å; F678-Y756 HydrophobicContact CZ-CG 4.29Å; R738-Y756 PolarHBondContact NH1-O 2.94Å; R738-Y756 PolarHBondContact NH2-O 3.3Å; F741-Y756 AromaticContact CE2-CE1 3.94Å; F741-Y756 HydrophobicContact CE2-CE1 3.94Å; F741-Y756 HydrophobicContact CE2-CE2 4.22Å; F741-Y756 AromaticContact CE2-CZ 3.69Å; F741-Y756 HydrophobicContact CZ-CD1 4.28Å; F741-Y756 HydrophobicContact CZ-CE1 4.01Å; F741-Y756 HydrophobicContact CZ-CE2 4.3Å; D754-Y756 HydrophobicContact CB-CE2 4.21Å; D754-Y756 WeakPolarHBondContact O-CD2 3.13Å; D754-Y756 WeakPolarHBondContact O-CE2 3.1Å; D754-Y756 PolarHBondContact O-N 3.39Å; Y756-R761 VanDerWaalsContact CD1-NH1 3.28Å
757G92.4Very high93.7Very high16 Ų1643.7 Ų43.717%0.16522%0.219CC..SBendtrans-61.8162.1-178.100000113.4D755 E759 S760 R761D755-G757 PolarHBondContact OD1-N 2.68Å; G757-E759 PolarHBondContact O-N 3.19Å; G757-S760 PolarHBondContact O-N 3.16Å; G757-R761 WeakPolarHBondContact O-CB 3.49Å; G757-R761 WeakPolarHBondContact O-CG 3.27Å; G757-R761 PolarHBondContact O-N 3.29Å; G757-R761 VanDerWaalsContact O-N 3.08Å
758P93.5Very high93.6Very high9 Ų948.2 Ų48.26%0.05824%0.236CC..THydrogen-bonded Turntrans-60-44.6-175.420.9-29.3000111.9K651 L686 R761 G762 F763K651-P758 HydrophobicContact CB-CG 4.5Å; K651-P758 HydrophobicContact CG-CG 3.94Å; L686-P758 HydrophobicContact CD1-CB 4.16Å; L686-P758 HydrophobicContact CD2-CB 4.07Å; P758-R761 PolarHBondContact O-N 3.06Å; P758-G762 PolarHBondContact O-N 3.21Å; P758-F763 HydrophobicContact CB-CB 3.65Å; P758-F763 HydrophobicContact CB-CD1 4.4Å; P758-F763 HydrophobicContact CB-CG 4.15Å; P758-F763 VanDerWaalsContact O-CB 3.27Å; P758-F763 WeakPolarHBondContact O-CB 3.47Å; P758-F763 PolarHBondContact O-N 3.34Å
759E92.8Very high93.5Very high102 Ų10251 Ų5148%0.47725%0.25SS..THydrogen-bonded Turntrans-63.1-47.8-178.6-65.2170.1-150.200112.4K651 F751 G757 R761 G762 F779K651-E759 IonicContact NZ-OE1 3.14Å; K651-E759 PolarHBondContact NZ-OE1 3.21Å; F751-E759 HydrophobicContact CE1-CB 4.3Å; G757-E759 PolarHBondContact O-N 3.19Å; E759-R761 VanDerWaalsContact C-N 3.33Å; E759-R761 PolarHBondContact O-N 3.09Å; E759-G762 PolarHBondContact O-N 2.63Å; E759-F779 WeakPolarHBondContact O-CE2 3.35Å
760S93.6Very high93.3Very high0 Ų050.7 Ų50.70%025%0.253CS..THydrogen-bonded Turntrans-59.3-42.6175.4162.20000112.4T747 D755 G757 G762 F779T747-S760 VanDerWaalsContact CB-O 3.28Å; T747-S760 WeakPolarHBondContact CB-O 3.39Å; T747-S760 WeakPolarHBondContact CG2-O 3.17Å; T747-S760 PolarHBondContact OG1-O 2.96Å; D755-S760 WeakPolarHBondContact O-CB 3.4Å; D755-S760 PolarHBondContact O-OG 3.33Å; D755-S760 WeakPolarHBondContact OD1-CB 3.32Å; D755-S760 WeakPolarHBondContact OD2-CB 3.36Å; G757-S760 PolarHBondContact O-N 3.16Å; S760-G762 VanDerWaalsContact C-N 3.33Å; S760-G762 PolarHBondContact O-N 2.93Å; S760-F779 VanDerWaalsContact O-CZ 3.28Å; S760-F779 WeakPolarHBondContact O-CZ 3.22Å
761R93.6Very high93.3Very high15 Ų1544.7 Ų44.76%0.05724%0.235CC..THydrogen-bonded Turntrans-91.413-173-56.5-55.9-56.8-77.5-13.6113.9E679 Q731 R738 I739 F741 D755 Y756 G757 P758 E759E679-R761 IonicContact OE1-CZ 3.89Å; E679-R761 IonicContact OE1-NH1 2.73Å; E679-R761 PolarHBondContact OE1-NH1 2.81Å; E679-R761 VanDerWaalsContact OE1-NH1 3.13Å; E679-R761 IonicContact OE1-NH2 2.64Å; Q731-R761 PolarHBondContact NE2-O 3.22Å; R738-R761 HydrophobicContact CB-CB 4.04Å; R738-R761 PolarHBondContact O-NH2 2.84Å; I739-R761 PolarHBondContact N-O 3.2Å; I739-R761 VanDerWaalsContact O-CZ 3.31Å; I739-R761 PolarHBondContact O-NE 2.87Å; I739-R761 PolarHBondContact O-NH2 2.69Å; F741-R761 VanDerWaalsContact CE1-CD 3.44Å; D755-R761 WeakPolarHBondContact O-CD 3.3Å; Y756-R761 VanDerWaalsContact CD1-NH1 3.28Å; G757-R761 WeakPolarHBondContact O-CB 3.49Å; G757-R761 WeakPolarHBondContact O-CG 3.27Å; G757-R761 PolarHBondContact O-N 3.29Å; G757-R761 VanDerWaalsContact O-N 3.08Å; P758-R761 PolarHBondContact O-N 3.06Å; E759-R761 VanDerWaalsContact C-N 3.33Å; E759-R761 PolarHBondContact O-N 3.09Å
762G92.1Very high93.3Very high0 Ų045.3 Ų45.30%024%0.24CC..THydrogen-bonded Turntrans88.328.1169.300000116.1Q731 Q732 P758 E759 S760Q731-G762 PolarHBondContact NE2-O 3.38Å; Q732-G762 WeakPolarHBondContact CB-O 3.02Å; Q732-G762 WeakPolarHBondContact CG-O 3.18Å; Q732-G762 PolarHBondContact N-O 2.74Å; P758-G762 PolarHBondContact O-N 3.21Å; E759-G762 PolarHBondContact O-N 2.63Å; S760-G762 VanDerWaalsContact C-N 3.33Å; S760-G762 PolarHBondContact O-N 2.93Å
763F94.5Very high93.3Very high6 Ų642 Ų423%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-72.5125161.6-172.1-100.1000110.2I647 L686 Q731 P758 E765I647-F763 HydrophobicContact CG2-CE1 4.44Å; L686-F763 HydrophobicContact CB-CD2 3.87Å; L686-F763 HydrophobicContact CB-CE2 3.9Å; L686-F763 HydrophobicContact CD1-CB 4.41Å; L686-F763 HydrophobicContact CD1-CD2 4.06Å; L686-F763 HydrophobicContact CD1-CG 4.48Å; L686-F763 HydrophobicContact CD2-CD2 3.77Å; L686-F763 HydrophobicContact CD2-CE2 3.91Å; L686-F763 HydrophobicContact CD2-CG 4.15Å; L686-F763 HydrophobicContact CD2-CZ 4.4Å; L686-F763 HydrophobicContact CG-CD2 4.1Å; L686-F763 HydrophobicContact CG-CE2 4.4Å; Q731-F763 HydrophobicContact CB-CD2 4.09Å; P758-F763 HydrophobicContact CB-CB 3.65Å; P758-F763 HydrophobicContact CB-CD1 4.4Å; P758-F763 HydrophobicContact CB-CG 4.15Å; P758-F763 VanDerWaalsContact O-CB 3.27Å; P758-F763 WeakPolarHBondContact O-CB 3.47Å; P758-F763 PolarHBondContact O-N 3.34Å; F763-E765 HydrophobicContact CD1-CB 4.06Å; F763-E765 HydrophobicContact CE1-CB 3.79Å
764V94.6Very high93.4Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-99.4105.4174.9-179.50000108.3V729 G730 Q732 L772 E776V729-V764 HydrophobicContact CB-CB 4.04Å; V729-V764 HydrophobicContact CB-CG1 3.69Å; V729-V764 HydrophobicContact CG2-CG1 4.05Å; G730-V764 WeakPolarHBondContact CA-O 3.47Å; G730-V764 PolarHBondContact N-O 3.4Å; G730-V764 WeakPolarHBondContact O-CB 3.35Å; G730-V764 PolarHBondContact O-N 3.18Å; Q732-V764 HydrophobicContact CG-CG2 3.68Å; V764-L772 HydrophobicContact CG1-CD2 3.48Å; V764-L772 VanDerWaalsContact CG1-CD2 3.48Å; V764-E776 WeakPolarHBondContact CA-OE1 3.24Å; V764-E776 HydrophobicContact CB-CB 4.46Å; V764-E776 HydrophobicContact CB-CG 4.25Å; V764-E776 HydrophobicContact CG1-CB 4.08Å; V764-E776 HydrophobicContact CG1-CG 4.07Å; V764-E776 WeakPolarHBondContact CG1-OE1 3.49Å; V764-E776 HydrophobicContact CG2-CB 3.91Å; V764-E776 HydrophobicContact CG2-CG 4.03Å
765E93.3Very high93.6Very high51 Ų5139.7 Ų39.724%0.23823%0.228CC..  trans-83.5-27.6-178.981.9-177.3122.100112I647 K651 C728 F763 E776I647-E765 HydrophobicContact CG2-CB 4Å; K651-E765 VanDerWaalsContact CE-OE2 3.24Å; K651-E765 WeakPolarHBondContact CE-OE2 3.45Å; K651-E765 IonicContact NZ-OE1 2.75Å; K651-E765 PolarHBondContact NZ-OE1 3.23Å; K651-E765 IonicContact NZ-OE2 2.76Å; K651-E765 PolarHBondContact NZ-OE2 3.06Å; C728-E765 WeakPolarHBondContact CB-O 3.4Å; F763-E765 HydrophobicContact CD1-CB 4.06Å; F763-E765 HydrophobicContact CE1-CB 3.79Å; E765-E776 PolarHBondContact N-OE1 3.49Å
766N93.2Very high93.7Very high41 Ų4138.4 Ų38.422%0.21922%0.221CC..SBendtrans-75.2156.1178.1-67.3-68.4000112C728 V729 A770 G771 E776C728-N766 WeakPolarHBondContact CA-O 3.32Å; V729-N766 PolarHBondContact N-O 3.29Å; N766-A770 HydrophobicContact CB-CB 4.29Å; N766-G771 WeakPolarHBondContact CB-O 3.34Å; N766-E776 PolarHBondContact N-OE1 3.29Å; N766-E776 VanDerWaalsContact N-OE1 3.14Å; N766-E776 PolarHBondContact ND2-OE1 2.7Å; N766-E776 PolarHBondContact ND2-OE2 3.48Å
767S93Very high93.8Very high6 Ų642.7 Ų42.74%0.04224%0.241CC..  trans-96165.4170.966.80000111.3Q724 V725 I726 L769 A770 G771Q724-S767 WeakPolarHBondContact O-CA 3.26Å; V725-S767 WeakPolarHBondContact O-CB 3.34Å; V725-S767 PolarHBondContact O-OG 3.26Å; I726-S767 VanDerWaalsContact C-CB 3.47Å; I726-S767 WeakPolarHBondContact O-CB 3.32Å; I726-S767 PolarHBondContact O-OG 2.93Å; I726-S767 VanDerWaalsContact O-OG 3.12Å; S767-L769 PolarHBondContact O-N 3.22Å; S767-A770 PolarHBondContact O-N 2.91Å; S767-A770 VanDerWaalsContact O-N 3.1Å; S767-A770 PolarHBondContact OG-N 3.39Å; S767-G771 PolarHBondContact O-N 2.99Å
768Y93.8Very high93.9Very high99 Ų9946.5 Ų46.539%0.38825%0.253SS..THydrogen-bonded Turntrans-62.3-23.9174.3-60.5-56000113.2Q724 V725 V729 H780Q724-Y768 HydrophobicContact CB-CD2 4.13Å; Q724-Y768 HydrophobicContact CB-CE2 3.72Å; Q724-Y768 WeakPolarHBondContact O-CD2 3.45Å; Q724-Y768 PolarHBondContact O-N 2.57Å; V725-Y768 HydrophobicContact CG2-CD2 4Å; V729-Y768 HydrophobicContact CG1-CE1 4.34Å; V729-Y768 HydrophobicContact CG2-CD1 3.88Å; V729-Y768 HydrophobicContact CG2-CD2 4.32Å; V729-Y768 HydrophobicContact CG2-CE1 3.64Å; V729-Y768 HydrophobicContact CG2-CE2 4.12Å; V729-Y768 HydrophobicContact CG2-CG 4.21Å; Y768-H780 AromaticContact CE1-NE2 3.94Å; Y768-H780 PolarHBondContact OH-CE1 2.96Å; Y768-H780 PolarHBondContact OH-NE2 3.38Å
769L92.1Very high94Very high71 Ų7146.1 Ų46.137%0.37225%0.25SS..THydrogen-bonded Turntrans-72.3-39.4171.6176.162.8000112.7I630 T633 I634 V725 S767I630-L769 HydrophobicContact CD1-CD1 3.67Å; I630-L769 HydrophobicContact CG1-CD1 4.13Å; T633-L769 WeakPolarHBondContact O-CD2 3.28Å; I634-L769 HydrophobicContact CG1-CD2 4.07Å; V725-L769 VanDerWaalsContact O-CB 3.26Å; V725-L769 WeakPolarHBondContact O-CB 3.21Å; V725-L769 PolarHBondContact O-N 3.41Å; S767-L769 PolarHBondContact O-N 3.22Å
770A91.1Very high94Very high57 Ų5743.7 Ų43.747%0.47124%0.239SC..THydrogen-bonded Turntrans-73.6-30.2177.600000112.8N766 S767N766-A770 HydrophobicContact CB-CB 4.29Å; S767-A770 PolarHBondContact O-N 2.91Å; S767-A770 VanDerWaalsContact O-N 3.1Å; S767-A770 PolarHBondContact OG-N 3.39Å
771G93.1Very high93.9Very high35 Ų3546.5 Ų46.536%0.36126%0.256SS..  trans90.3151.7-174.600000112.4N766 S767N766-G771 WeakPolarHBondContact CB-O 3.34Å; S767-G771 PolarHBondContact O-N 2.99Å
772L95.2Very high93.8Very high45 Ų4549.2 Ų49.224%0.23627%0.27CS..  trans-92.8137.8-176.1-56-174.6000111.4V729 V764 E776 F777 H780V729-L772 HydrophobicContact CG2-CD2 4.21Å; V764-L772 HydrophobicContact CG1-CD2 3.48Å; V764-L772 VanDerWaalsContact CG1-CD2 3.48Å; L772-E776 HydrophobicContact CB-CB 4.21Å; L772-F777 HydrophobicContact CB-CB 4.09Å; L772-F777 HydrophobicContact CD1-CB 4.49Å; L772-F777 HydrophobicContact CD1-CD2 4.46Å; L772-H780 HydrophobicContact CD1-CB 4.3Å
773T95.6Very high93.5Very high56 Ų5649.3 Ų49.334%0.34427%0.271SS..  trans-65.7160.3166.661.20000111.2S775 E776 F777T773-S775 VanDerWaalsContact C-N 3.27Å; T773-S775 PolarHBondContact O-N 2.89Å; T773-S775 PolarHBondContact OG1-OG 3.19Å; T773-E776 WeakPolarHBondContact CB-OE2 3.43Å; T773-E776 WeakPolarHBondContact CG2-OE2 3.22Å; T773-E776 PolarHBondContact N-OE2 3.05Å; T773-E776 PolarHBondContact O-N 2.85Å; T773-E776 WeakPolarHBondContact OG1-CB 3.27Å; T773-E776 VanDerWaalsContact OG1-CD 3.27Å; T773-E776 WeakPolarHBondContact OG1-CG 3.31Å; T773-E776 PolarHBondContact OG1-N 2.74Å; T773-E776 PolarHBondContact OG1-OE2 2.81Å; T773-F777 WeakPolarHBondContact O-CB 3.5Å; T773-F777 PolarHBondContact O-N 2.82Å
774P96.3Very high93.1Very high116 Ų11650.2 Ų50.275%0.75328%0.282SS*.Hα-helixtrans-59.2-32.5-177.6-27.236.4000114.8F778P774-F778 WeakPolarHBondContact O-CB 3.46Å; P774-F778 PolarHBondContact O-N 2.87Å
775S94.9Very high92.8Very high35 Ų3557.4 Ų57.425%0.24531%0.309CS..Hα-helixtrans-69.1-52.617335.20000111.5T773 F777 F778 F779T773-S775 VanDerWaalsContact C-N 3.27Å; T773-S775 PolarHBondContact O-N 2.89Å; T773-S775 PolarHBondContact OG1-OG 3.19Å; S775-F777 VanDerWaalsContact C-N 3.33Å; S775-F777 PolarHBondContact O-N 3.39Å; S775-F778 PolarHBondContact O-N 2.81Å; S775-F778 VanDerWaalsContact O-N 3.16Å; S775-F779 WeakPolarHBondContact O-CD2 3.5Å; S775-F779 VanDerWaalsContact O-CG 3.3Å; S775-F779 WeakPolarHBondContact O-CG 3.36Å; S775-F779 PolarHBondContact O-N 2.8Å
776E95.2Very high92.2Very high11 Ų1157.2 Ų57.25%0.05131%0.308CS..Hα-helixtrans-55.9-45.8176.1-73.2172.8123.500111.9V764 E765 N766 L772 T773 F778 F779 H780V764-E776 WeakPolarHBondContact CA-OE1 3.24Å; V764-E776 HydrophobicContact CB-CB 4.46Å; V764-E776 HydrophobicContact CB-CG 4.25Å; V764-E776 HydrophobicContact CG1-CB 4.08Å; V764-E776 HydrophobicContact CG1-CG 4.07Å; V764-E776 WeakPolarHBondContact CG1-OE1 3.49Å; V764-E776 HydrophobicContact CG2-CB 3.91Å; V764-E776 HydrophobicContact CG2-CG 4.03Å; E765-E776 PolarHBondContact N-OE1 3.49Å; N766-E776 PolarHBondContact N-OE1 3.29Å; N766-E776 VanDerWaalsContact N-OE1 3.14Å; N766-E776 PolarHBondContact ND2-OE1 2.7Å; N766-E776 PolarHBondContact ND2-OE2 3.48Å; L772-E776 HydrophobicContact CB-CB 4.21Å; T773-E776 WeakPolarHBondContact CB-OE2 3.43Å; T773-E776 WeakPolarHBondContact CG2-OE2 3.22Å; T773-E776 PolarHBondContact N-OE2 3.05Å; T773-E776 PolarHBondContact O-N 2.85Å; T773-E776 WeakPolarHBondContact OG1-CB 3.27Å; T773-E776 VanDerWaalsContact OG1-CD 3.27Å; T773-E776 WeakPolarHBondContact OG1-CG 3.31Å; T773-E776 PolarHBondContact OG1-N 2.74Å; T773-E776 PolarHBondContact OG1-OE2 2.81Å; E776-F778 VanDerWaalsContact C-N 3.33Å; E776-F778 PolarHBondContact O-N 3.03Å; E776-F779 PolarHBondContact O-N 3.45Å; E776-H780 WeakPolarHBondContact O-CB 3.32Å; E776-H780 PolarHBondContact O-N 3.2Å
777F95.7Very high91.5Very high126 Ų12655.3 Ų55.355%0.55330%0.299SS*.Hα-helixtrans-59.8-42177.2176.8-95.6000112.1L772 T773 S775 T781L772-F777 HydrophobicContact CB-CB 4.09Å; L772-F777 HydrophobicContact CD1-CB 4.49Å; L772-F777 HydrophobicContact CD1-CD2 4.46Å; T773-F777 WeakPolarHBondContact O-CB 3.5Å; T773-F777 PolarHBondContact O-N 2.82Å; S775-F777 VanDerWaalsContact C-N 3.33Å; S775-F777 PolarHBondContact O-N 3.39Å; F777-T781 VanDerWaalsContact O-CB 3.32Å; F777-T781 WeakPolarHBondContact O-CB 3.37Å; F777-T781 PolarHBondContact O-N 2.72Å; F777-T781 PolarHBondContact O-OG1 3.43Å
778F95.1Very high91.1Very high96 Ų9659.4 Ų59.442%0.42132%0.32SS..Hα-helixtrans-69.9-42178.5-170.3-101.9000112L748 P774 S775 E776 T781 M782L748-F778 HydrophobicContact CD1-CD1 4.37Å; L748-F778 HydrophobicContact CD2-CD1 3.76Å; L748-F778 HydrophobicContact CD2-CE1 3.72Å; P774-F778 WeakPolarHBondContact O-CB 3.46Å; P774-F778 PolarHBondContact O-N 2.87Å; S775-F778 PolarHBondContact O-N 2.81Å; S775-F778 VanDerWaalsContact O-N 3.16Å; E776-F778 VanDerWaalsContact C-N 3.33Å; E776-F778 PolarHBondContact O-N 3.03Å; F778-T781 WeakPolarHBondContact O-CB 3.46Å; F778-T781 PolarHBondContact O-N 3.31Å; F778-M782 HydrophobicContact CD1-CE 4.25Å; F778-M782 HydrophobicContact CD1-SD 4.15Å; F778-M782 HydrophobicContact CE1-CE 3.47Å; F778-M782 VanDerWaalsContact CE1-CE 3.47Å; F778-M782 HydrophobicContact CE1-CG 4.47Å; F778-M782 HydrophobicContact CE1-SD 3.96Å; F778-M782 HydrophobicContact CZ-CE 4.09Å; F778-M782 WeakPolarHBondContact O-CG 3.42Å; F778-M782 PolarHBondContact O-N 3.12Å
779F94.6Very high90.6Very high1 Ų159.3 Ų59.30%0.00433%0.325CS..Hα-helixtrans-66.4-38.8175.4-63.1-38.4000112.8I739 L748 F751 E759 S760 S775 E776 T781 M782 G783I739-F779 HydrophobicContact CB-CD1 4.28Å; I739-F779 HydrophobicContact CD1-CB 4.32Å; I739-F779 HydrophobicContact CD1-CD1 4.5Å; I739-F779 HydrophobicContact CG1-CB 4.08Å; I739-F779 HydrophobicContact CG1-CD1 3.91Å; I739-F779 HydrophobicContact CG1-CG 4.09Å; I739-F779 HydrophobicContact CG2-CD1 3.78Å; I739-F779 HydrophobicContact CG2-CE1 3.83Å; L748-F779 HydrophobicContact CD1-CE1 3.79Å; L748-F779 HydrophobicContact CD1-CE2 4.25Å; L748-F779 HydrophobicContact CD1-CZ 3.58Å; L748-F779 HydrophobicContact CG-CE1 3.75Å; L748-F779 HydrophobicContact CG-CZ 3.76Å; F751-F779 HydrophobicContact CD2-CZ 4.43Å; F751-F779 AromaticContact CE2-CE2 3.83Å; F751-F779 HydrophobicContact CE2-CE2 3.83Å; F751-F779 AromaticContact CE2-CZ 3.75Å; F751-F779 HydrophobicContact CE2-CZ 3.75Å; F751-F779 HydrophobicContact CZ-CE2 4.28Å; E759-F779 WeakPolarHBondContact O-CE2 3.35Å; S760-F779 VanDerWaalsContact O-CZ 3.28Å; S760-F779 WeakPolarHBondContact O-CZ 3.22Å; S775-F779 WeakPolarHBondContact O-CD2 3.5Å; S775-F779 VanDerWaalsContact O-CG 3.3Å; S775-F779 WeakPolarHBondContact O-CG 3.36Å; S775-F779 PolarHBondContact O-N 2.8Å; E776-F779 PolarHBondContact O-N 3.45Å; F779-T781 VanDerWaalsContact C-N 3.34Å; F779-M782 HydrophobicContact CD1-SD 4.14Å; F779-M782 WeakPolarHBondContact O-CB 3.45Å; F779-M782 PolarHBondContact O-N 2.99Å; F779-G783 PolarHBondContact O-N 2.82Å; F779-G783 VanDerWaalsContact O-N 3.12Å
780H92.4Very high89.9Confident50 Ų5057.6 Ų57.623%0.23132%0.316CS..Hα-helixtrans-64.7-39.3171.9-176.555.6000111.6Q732 Y768 L772 E776 M782 G783 G784Q732-H780 HydrophobicContact CG-CB 4.37Å; Q732-H780 PolarHBondContact OE1-ND1 3.05Å; Y768-H780 AromaticContact CE1-NE2 3.94Å; Y768-H780 PolarHBondContact OH-CE1 2.96Å; Y768-H780 PolarHBondContact OH-NE2 3.38Å; L772-H780 HydrophobicContact CD1-CB 4.3Å; E776-H780 WeakPolarHBondContact O-CB 3.32Å; E776-H780 PolarHBondContact O-N 3.2Å; H780-M782 VanDerWaalsContact C-N 3.29Å; H780-M782 PolarHBondContact O-N 3.24Å; H780-G783 PolarHBondContact O-N 3.28Å; H780-G784 PolarHBondContact O-N 3.02Å
781T92.7Very high89.2Confident60 Ų6056.1 Ų56.137%0.36830%0.301SS..Hα-helixtrans-62.9-33.2172.7-60.20000112.2F777 F778 F779 R785F777-T781 VanDerWaalsContact O-CB 3.32Å; F777-T781 WeakPolarHBondContact O-CB 3.37Å; F777-T781 PolarHBondContact O-N 2.72Å; F777-T781 PolarHBondContact O-OG1 3.43Å; F778-T781 WeakPolarHBondContact O-CB 3.46Å; F778-T781 PolarHBondContact O-N 3.31Å; F779-T781 VanDerWaalsContact C-N 3.34Å; T781-R785 WeakPolarHBondContact O-CB 3.47Å; T781-R785 PolarHBondContact O-N 3.41Å
782M91Very high88.7Confident72 Ų7256.6 Ų56.636%0.35530%0.302SS..Hα-helixtrans-66.4-50.5173.4-72.6174.4145.500112V734 I739 F778 F779 H780 R785 E786V734-M782 HydrophobicContact CG2-CB 4.16Å; I739-M782 HydrophobicContact CD1-CB 4.3Å; I739-M782 HydrophobicContact CG2-SD 4.04Å; F778-M782 HydrophobicContact CD1-CE 4.25Å; F778-M782 HydrophobicContact CD1-SD 4.15Å; F778-M782 HydrophobicContact CE1-CE 3.47Å; F778-M782 VanDerWaalsContact CE1-CE 3.47Å; F778-M782 HydrophobicContact CE1-CG 4.47Å; F778-M782 HydrophobicContact CE1-SD 3.96Å; F778-M782 HydrophobicContact CZ-CE 4.09Å; F778-M782 WeakPolarHBondContact O-CG 3.42Å; F778-M782 PolarHBondContact O-N 3.12Å; F779-M782 HydrophobicContact CD1-SD 4.14Å; F779-M782 WeakPolarHBondContact O-CB 3.45Å; F779-M782 PolarHBondContact O-N 2.99Å; H780-M782 VanDerWaalsContact C-N 3.29Å; H780-M782 PolarHBondContact O-N 3.24Å; M782-R785 WeakPolarHBondContact O-CB 3.37Å; M782-R785 PolarHBondContact O-N 3.39Å; M782-E786 PolarHBondContact O-N 3.06Å; M782-E786 VanDerWaalsContact O-N 3.14Å
783G85.3Confident88Confident1 Ų158.4 Ų58.41%0.0132%0.315CS..Hα-helixtrans-62.6-43.2177.200000112.9F779 H780 R785 E786 G787F779-G783 PolarHBondContact O-N 2.82Å; F779-G783 VanDerWaalsContact O-N 3.12Å; H780-G783 PolarHBondContact O-N 3.28Å; G783-R785 VanDerWaalsContact C-N 3.3Å; G783-R785 PolarHBondContact O-N 3.35Å; G783-E786 WeakPolarHBondContact O-CB 3.46Å; G783-E786 PolarHBondContact O-N 3.4Å; G783-G787 PolarHBondContact O-N 3.43Å
784G86Confident87.4Confident26 Ų2657 Ų5727%0.26830%0.304SS..Hα-helixtrans-63.8-32.3174.300000113.4H780 L788H780-G784 PolarHBondContact O-N 3.02Å; G784-L788 WeakPolarHBondContact O-CG 3.28Å; G784-L788 PolarHBondContact O-N 3.35Å; G784-L788 VanDerWaalsContact O-N 3.15Å
785R88.7Confident86.7Confident150 Ų15053.6 Ų53.657%0.56628%0.281SS*.Hα-helixtrans-67.5-39.217517860.563.6171.52.8112.1T781 M782 G783 L788 I789T781-R785 WeakPolarHBondContact O-CB 3.47Å; T781-R785 PolarHBondContact O-N 3.41Å; M782-R785 WeakPolarHBondContact O-CB 3.37Å; M782-R785 PolarHBondContact O-N 3.39Å; G783-R785 VanDerWaalsContact C-N 3.3Å; G783-R785 PolarHBondContact O-N 3.35Å; R785-L788 PolarHBondContact O-N 3.17Å; R785-I789 HydrophobicContact CG-CD1 3.94Å; R785-I789 WeakPolarHBondContact O-CG1 3.24Å; R785-I789 PolarHBondContact O-N 3.27Å; R785-I789 VanDerWaalsContact O-N 3.12Å
786E81.3Confident86.2Confident47 Ų4754.9 Ų54.922%0.2229%0.293CS..Hα-helixtrans-57.1-56.6173.4-179.3175.6-131.400109.8V734 E735 M782 G783 L788 I789 D790V734-E786 WeakPolarHBondContact CA-OE2 3.2Å; E735-E786 WeakPolarHBondContact CA-OE1 3.32Å; E735-E786 PolarHBondContact N-OE1 2.85Å; M782-E786 PolarHBondContact O-N 3.06Å; M782-E786 VanDerWaalsContact O-N 3.14Å; G783-E786 WeakPolarHBondContact O-CB 3.46Å; G783-E786 PolarHBondContact O-N 3.4Å; E786-L788 VanDerWaalsContact C-N 3.3Å; E786-L788 PolarHBondContact O-N 2.98Å; E786-I789 PolarHBondContact O-N 2.83Å; E786-D790 WeakPolarHBondContact O-CB 3.3Å; E786-D790 PolarHBondContact O-N 3.33Å
787G78.5Confident85.8Confident1 Ų157.3 Ų57.31%0.0131%0.305CS..Hα-helixtrans-54.7-40.1-179.900000114.1G783 D790 T791G783-G787 PolarHBondContact O-N 3.43Å; G787-D790 PolarHBondContact O-N 3.28Å; G787-T791 WeakPolarHBondContact O-CB 3.25Å; G787-T791 PolarHBondContact O-N 3.48Å; G787-T791 PolarHBondContact O-OG1 2.94Å; G787-T791 VanDerWaalsContact O-OG1 3.1Å
788L83.6Confident85.4Confident93 Ų9351.4 Ų51.449%0.48728%0.279SS..Hα-helixtrans-65.3-41.7175.7-72.7172.3000113.2G784 R785 E786 A792 F1048G784-L788 WeakPolarHBondContact O-CG 3.28Å; G784-L788 PolarHBondContact O-N 3.35Å; G784-L788 VanDerWaalsContact O-N 3.15Å; R785-L788 PolarHBondContact O-N 3.17Å; E786-L788 VanDerWaalsContact C-N 3.3Å; E786-L788 PolarHBondContact O-N 2.98Å; L788-A792 WeakPolarHBondContact O-CB 3.3Å; L788-A792 PolarHBondContact O-N 3.32Å; L788-F1048 HydrophobicContact CD2-CD2 4.26Å; L788-F1048 HydrophobicContact CD2-CE2 3.75Å; L788-F1048 HydrophobicContact CG-CE2 4.03Å
789I84.4Confident85Confident96 Ų9648.6 Ų48.649%0.49228%0.278SS..Hα-helixtrans-67-44.9176.7-69.1168.7000109.6R785 E786 A792 V793R785-I789 HydrophobicContact CG-CD1 3.94Å; R785-I789 WeakPolarHBondContact O-CG1 3.24Å; R785-I789 PolarHBondContact O-N 3.27Å; R785-I789 VanDerWaalsContact O-N 3.12Å; E786-I789 PolarHBondContact O-N 2.83Å; I789-A792 PolarHBondContact O-N 3.13Å; I789-A792 VanDerWaalsContact O-N 3.15Å; I789-V793 HydrophobicContact CG2-CG2 4.22Å; I789-V793 WeakPolarHBondContact O-CG2 3.37Å; I789-V793 PolarHBondContact O-N 3.5Å
790D77.3Confident84.7Confident35 Ų3553 Ų5319%0.18730%0.295CS..Hα-helixtrans-63.5-47.3-175.8-134.17.7000111E786 G787 A792 V793 K794 T1047E786-D790 WeakPolarHBondContact O-CB 3.3Å; E786-D790 PolarHBondContact O-N 3.33Å; G787-D790 PolarHBondContact O-N 3.28Å; D790-A792 VanDerWaalsContact C-N 3.34Å; D790-A792 PolarHBondContact O-N 3.11Å; D790-V793 PolarHBondContact O-N 3.4Å; D790-K794 HydrophobicContact CB-CD 4.34Å; D790-K794 VanDerWaalsContact CG-NZ 3.29Å; D790-K794 WeakPolarHBondContact O-CB 3.45Å; D790-K794 VanDerWaalsContact O-CG 3.3Å; D790-K794 WeakPolarHBondContact O-CG 3.28Å; D790-K794 PolarHBondContact O-N 2.89Å; D790-K794 WeakPolarHBondContact OD1-CE 3.49Å; D790-K794 IonicContact OD1-NZ 3.86Å; D790-K794 VanDerWaalsContact OD2-CE 3.25Å; D790-K794 WeakPolarHBondContact OD2-CE 3.2Å; D790-K794 IonicContact OD2-NZ 2.75Å; D790-K794 PolarHBondContact OD2-NZ 2.72Å; D790-T1047 HydrophobicContact CB-CG2 4.17Å; D790-T1047 WeakPolarHBondContact OD2-CG2 3.39Å
791T77.1Confident84.7Confident26 Ų2650.8 Ų50.816%0.1629%0.285CS..Hα-helixtrans-57.8-44.8172.1-62.40000111.6G787 V793 T795 T1044 L1045G787-T791 WeakPolarHBondContact O-CB 3.25Å; G787-T791 PolarHBondContact O-N 3.48Å; G787-T791 PolarHBondContact O-OG1 2.94Å; G787-T791 VanDerWaalsContact O-OG1 3.1Å; T791-V793 PolarHBondContact O-N 3.49Å; T791-T795 WeakPolarHBondContact O-CB 3.43Å; T791-T795 PolarHBondContact O-N 2.9Å; T791-T795 VanDerWaalsContact O-N 3.08Å; T791-T795 PolarHBondContact O-OG1 3.23Å; T791-T1044 HydrophobicContact CG2-CG2 4.47Å; T791-T1044 PolarHBondContact OG1-O 3.2Å; T791-L1045 HydrophobicContact CG2-CD2 4.1Å
792A82.4Confident84.5Confident46 Ų4648.5 Ų48.538%0.3827%0.27SS..Hα-helixtrans-65.8-37.1-179.100000113.4L788 I789 D790 R1692L788-A792 WeakPolarHBondContact O-CB 3.3Å; L788-A792 PolarHBondContact O-N 3.32Å; I789-A792 PolarHBondContact O-N 3.13Å; I789-A792 VanDerWaalsContact O-N 3.15Å; D790-A792 VanDerWaalsContact C-N 3.34Å; D790-A792 PolarHBondContact O-N 3.11Å; A792-R1692 VanDerWaalsContact O-CZ 3.27Å; A792-R1692 PolarHBondContact O-NH1 3.07Å; A792-R1692 PolarHBondContact O-NH2 3.38Å
793V80.9Confident84.5Confident83 Ų8347.2 Ų47.250%0.50326%0.261SS..Hα-helixtrans-77.7-57.9177.91730000110.6I789 D790 T791 T795 A796 E797I789-V793 HydrophobicContact CG2-CG2 4.22Å; I789-V793 WeakPolarHBondContact O-CG2 3.37Å; I789-V793 PolarHBondContact O-N 3.5Å; D790-V793 PolarHBondContact O-N 3.4Å; T791-V793 PolarHBondContact O-N 3.49Å; V793-T795 VanDerWaalsContact C-N 3.26Å; V793-T795 PolarHBondContact O-N 3.02Å; V793-A796 WeakPolarHBondContact O-CB 3.3Å; V793-A796 PolarHBondContact O-N 2.93Å; V793-E797 PolarHBondContact O-N 2.96Å
794K81.2Confident84.8Confident25 Ų2547.5 Ų47.511%0.10926%0.262CS..Hα-helixtrans-58.1-35.5-176.2-68.7167.9167.3172.80112D790 A796 E797 T798 T1044D790-K794 HydrophobicContact CB-CD 4.34Å; D790-K794 VanDerWaalsContact CG-NZ 3.29Å; D790-K794 WeakPolarHBondContact O-CB 3.45Å; D790-K794 VanDerWaalsContact O-CG 3.3Å; D790-K794 WeakPolarHBondContact O-CG 3.28Å; D790-K794 PolarHBondContact O-N 2.89Å; D790-K794 WeakPolarHBondContact OD1-CE 3.49Å; D790-K794 IonicContact OD1-NZ 3.86Å; D790-K794 VanDerWaalsContact OD2-CE 3.25Å; D790-K794 WeakPolarHBondContact OD2-CE 3.2Å; D790-K794 IonicContact OD2-NZ 2.75Å; D790-K794 PolarHBondContact OD2-NZ 2.72Å; K794-A796 PolarHBondContact O-N 3.11Å; K794-E797 CarbonylContact O-C 3.43Å; K794-E797 WeakPolarHBondContact O-CA 3.23Å; K794-E797 WeakPolarHBondContact O-CB 3.31Å; K794-E797 PolarHBondContact O-N 2.72Å; K794-T798 WeakPolarHBondContact O-CG2 3.4Å; K794-T798 PolarHBondContact O-N 3.2Å; K794-T1044 HydrophobicContact CB-CG2 3.44Å; K794-T1044 VanDerWaalsContact CB-CG2 3.44Å; K794-T1044 WeakPolarHBondContact CB-OG1 3.26Å
795T81.6Confident85.1Confident46 Ų4646.4 Ų46.428%0.28225%0.25SC..Hα-helixtrans-63.5-25.3176.7-60.50000112.9T791 V793 G799 T1044T791-T795 WeakPolarHBondContact O-CB 3.43Å; T791-T795 PolarHBondContact O-N 2.9Å; T791-T795 VanDerWaalsContact O-N 3.08Å; T791-T795 PolarHBondContact O-OG1 3.23Å; V793-T795 VanDerWaalsContact C-N 3.26Å; V793-T795 PolarHBondContact O-N 3.02Å; T795-G799 PolarHBondContact O-N 3.15Å; T795-T1044 WeakPolarHBondContact OG1-CG2 3.31Å
796A85.1Confident85.3Confident61 Ų6141.1 Ų41.150%0.50423%0.232SC..Hα-helixtrans-76.5-33.9172.200000111.5V793 K794 Y800V793-A796 WeakPolarHBondContact O-CB 3.3Å; V793-A796 PolarHBondContact O-N 2.93Å; K794-A796 PolarHBondContact O-N 3.11Å; A796-Y800 PolarHBondContact O-N 3.19Å
797E86.5Confident85.7Confident62 Ų6239 Ų3929%0.2922%0.222SC..Hα-helixtrans-72.6-46.3177.4-55.3-129.1116.100111.8V793 K794 Y800 I801 K1066V793-E797 PolarHBondContact O-N 2.96Å; K794-E797 CarbonylContact O-C 3.43Å; K794-E797 WeakPolarHBondContact O-CA 3.23Å; K794-E797 WeakPolarHBondContact O-CB 3.31Å; K794-E797 PolarHBondContact O-N 2.72Å; E797-Y800 CarbonylContact O-C 3.6Å; E797-Y800 WeakPolarHBondContact O-CB 3.31Å; E797-Y800 PolarHBondContact O-N 3.14Å; E797-Y800 VanDerWaalsContact O-N 3.1Å; E797-I801 WeakPolarHBondContact O-CG1 3.09Å; E797-I801 PolarHBondContact O-N 3.15Å; E797-K1066 IonicContact OE1-NZ 3.7Å; E797-K1066 PolarHBondContact OE1-NZ 3.29Å; E797-K1066 WeakPolarHBondContact OE2-CD 3.45Å; E797-K1066 IonicContact OE2-NZ 3.71Å; E797-K1066 PolarHBondContact OE2-NZ 3.12Å
798T88.1Confident86.3Confident2 Ų239.1 Ų39.11%0.01222%0.223CC..Hα-helixtrans-64.2-44-179.6630000111.8K794 Y800 I801 Q802 A1040 T1041 T1044 V1062K794-T798 WeakPolarHBondContact O-CG2 3.4Å; K794-T798 PolarHBondContact O-N 3.2Å; T798-Y800 PolarHBondContact O-N 2.9Å; T798-I801 PolarHBondContact O-N 3.15Å; T798-I801 VanDerWaalsContact O-N 3.13Å; T798-Q802 WeakPolarHBondContact O-CB 3.44Å; T798-Q802 PolarHBondContact O-N 3.31Å; T798-A1040 VanDerWaalsContact CG2-O 3.22Å; T798-A1040 WeakPolarHBondContact CG2-O 3.34Å; T798-T1041 WeakPolarHBondContact CB-OG1 3.11Å; T798-T1041 PolarHBondContact OG1-OG1 2.88Å; T798-T1044 WeakPolarHBondContact CG2-OG1 3.46Å; T798-V1062 HydrophobicContact CG2-CG1 3.92Å; T798-V1062 HydrophobicContact CG2-CG2 3.78Å
799G87.1Confident86.8Confident38 Ų3834.7 Ų34.739%0.39220%0.2SC..Hα-helixtrans-62.4-23174.400000114T795 R803T795-G799 PolarHBondContact O-N 3.15Å; G799-R803 PolarHBondContact O-N 3.33Å
800Y88.5Confident87.1Confident94 Ų9430.7 Ų30.737%0.36918%0.179SC..Hα-helixtrans-85.3-37.6172.3173.9-122.3000112.5A796 E797 T798 R803 R804 E1375A796-Y800 PolarHBondContact O-N 3.19Å; E797-Y800 CarbonylContact O-C 3.6Å; E797-Y800 WeakPolarHBondContact O-CB 3.31Å; E797-Y800 PolarHBondContact O-N 3.14Å; E797-Y800 VanDerWaalsContact O-N 3.1Å; T798-Y800 PolarHBondContact O-N 2.9Å; Y800-R803 PolarHBondContact O-N 3.22Å; Y800-R804 HydrophobicContact CD2-CG 4.41Å; Y800-R804 HydrophobicContact CE2-CG 4.14Å; Y800-R804 VanDerWaalsContact O-CG 3.31Å; Y800-R804 WeakPolarHBondContact O-CG 3.43Å; Y800-R804 PolarHBondContact O-N 3.07Å; Y800-E1375 PolarHBondContact OH-OE1 2.96Å
801I90.4Very high87.7Confident3 Ų329.4 Ų29.42%0.01517%0.172CC..Hα-helixtrans-60.3-47.7170.7-68.6164.8000110.3E797 T798 R803 R804 L805 V1062 K1066 I1069E797-I801 WeakPolarHBondContact O-CG1 3.09Å; E797-I801 PolarHBondContact O-N 3.15Å; T798-I801 PolarHBondContact O-N 3.15Å; T798-I801 VanDerWaalsContact O-N 3.13Å; I801-R803 VanDerWaalsContact C-N 3.33Å; I801-R803 PolarHBondContact O-N 2.69Å; I801-R804 WeakPolarHBondContact O-CA 3.39Å; I801-R804 WeakPolarHBondContact O-CB 3.05Å; I801-R804 PolarHBondContact O-N 3.06Å; I801-L805 HydrophobicContact CG2-CD1 3.97Å; I801-L805 HydrophobicContact CG2-CG 4.32Å; I801-L805 PolarHBondContact O-N 2.87Å; I801-V1062 HydrophobicContact CD1-CG1 3.98Å; I801-K1066 HydrophobicContact CD1-CB 4.33Å; I801-I1069 HydrophobicContact CG2-CD1 3.87Å
802Q90.3Very high88.5Confident11 Ų1128.3 Ų28.35%0.05117%0.166CC..Hα-helixtrans-50.1-51.8173.7-174.972.3-22.600111.4L430 T798 R804 L805 I806 A1033L430-Q802 HydrophobicContact CD2-CG 4.27Å; L430-Q802 PolarHBondContact O-NE2 2.79Å; T798-Q802 WeakPolarHBondContact O-CB 3.44Å; T798-Q802 PolarHBondContact O-N 3.31Å; Q802-R804 VanDerWaalsContact C-N 3.29Å; Q802-R804 PolarHBondContact O-N 2.88Å; Q802-L805 PolarHBondContact O-N 3.18Å; Q802-I806 HydrophobicContact CG-CD1 4.09Å; Q802-I806 VanDerWaalsContact O-CG1 3.3Å; Q802-I806 WeakPolarHBondContact O-CG1 3.37Å; Q802-I806 PolarHBondContact O-N 2.89Å; Q802-A1033 PolarHBondContact OE1-O 3.24Å
803R89.4Confident89.1Confident45 Ų4527.6 Ų27.617%0.1716%0.155CC..Hα-helixtrans-64.9-30.7179-176.2171.9176.5-93.3-8.9113.1G799 Y800 I801 K807 S1373G799-R803 PolarHBondContact O-N 3.33Å; Y800-R803 PolarHBondContact O-N 3.22Å; I801-R803 VanDerWaalsContact C-N 3.33Å; I801-R803 PolarHBondContact O-N 2.69Å; R803-K807 VanDerWaalsContact O-CB 3.27Å; R803-K807 WeakPolarHBondContact O-CB 3.37Å; R803-K807 WeakPolarHBondContact O-CG 2.95Å; R803-K807 PolarHBondContact O-N 2.86Å; R803-S1373 PolarHBondContact NH2-O 3.42Å
804R91.7Very high89.8Confident8 Ų823.7 Ų23.73%0.0313%0.131CC..Hα-helixtrans-73.1-45.7176.5-75.3167.356.2-178.1-1.1112Y800 I801 Q802 K807 A808 N1070 I1356 F1374Y800-R804 HydrophobicContact CD2-CG 4.41Å; Y800-R804 HydrophobicContact CE2-CG 4.14Å; Y800-R804 VanDerWaalsContact O-CG 3.31Å; Y800-R804 WeakPolarHBondContact O-CG 3.43Å; Y800-R804 PolarHBondContact O-N 3.07Å; I801-R804 WeakPolarHBondContact O-CA 3.39Å; I801-R804 WeakPolarHBondContact O-CB 3.05Å; I801-R804 PolarHBondContact O-N 3.06Å; Q802-R804 VanDerWaalsContact C-N 3.29Å; Q802-R804 PolarHBondContact O-N 2.88Å; R804-K807 PolarHBondContact O-N 3.34Å; R804-A808 PolarHBondContact O-N 2.98Å; R804-A808 VanDerWaalsContact O-N 3.15Å; R804-N1070 VanDerWaalsContact CZ-OD1 3.27Å; R804-N1070 PolarHBondContact NH1-OD1 3.2Å; R804-N1070 PolarHBondContact NH2-OD1 3.18Å; R804-I1356 HydrophobicContact CB-CG2 4.3Å; R804-I1356 PolarHBondContact NE-O 3.36Å; R804-I1356 PolarHBondContact NH2-O 3.16Å; R804-I1356 WeakPolarHBondContact O-CG2 3.28Å; R804-F1374 HydrophobicContact CG-CE2 4.37Å; R804-F1374 HydrophobicContact CG-CZ 3.8Å
805L93.2Very high90.4Very high3 Ų325 Ų252%0.01614%0.14CC..Hα-helixtrans-57.6-53.1175.8-71.2170.5000110.5I801 Q802 K807 A808 M809 A1033 L1036 I1069 L1343 I1356I801-L805 HydrophobicContact CG2-CD1 3.97Å; I801-L805 HydrophobicContact CG2-CG 4.32Å; I801-L805 PolarHBondContact O-N 2.87Å; Q802-L805 PolarHBondContact O-N 3.18Å; L805-K807 VanDerWaalsContact C-N 3.32Å; L805-K807 PolarHBondContact O-N 3.22Å; L805-A808 PolarHBondContact O-N 3.04Å; L805-A808 VanDerWaalsContact O-N 3.15Å; L805-M809 WeakPolarHBondContact O-CG 3.43Å; L805-M809 PolarHBondContact O-N 3.32Å; L805-A1033 HydrophobicContact CB-CB 3.74Å; L805-L1036 HydrophobicContact CD1-CB 4.4Å; L805-I1069 HydrophobicContact CD2-CD1 4.15Å; L805-L1343 HydrophobicContact CD2-CD1 3.78Å; L805-L1343 HydrophobicContact CD2-CD2 3.83Å; L805-L1343 HydrophobicContact CD2-CG 4.5Å; L805-I1356 HydrophobicContact CD2-CG2 4.41Å
806I92.5Very high91Very high38 Ų3829 Ų2920%0.19515%0.15CC..Hα-helixtrans-55.2-49.2177.3-64.6165.1000110.1Q802 A808 M809 E810 A1033 L1034Q802-I806 HydrophobicContact CG-CD1 4.09Å; Q802-I806 VanDerWaalsContact O-CG1 3.3Å; Q802-I806 WeakPolarHBondContact O-CG1 3.37Å; Q802-I806 PolarHBondContact O-N 2.89Å; I806-A808 PolarHBondContact O-N 2.92Å; I806-A808 VanDerWaalsContact O-N 3.15Å; I806-M809 PolarHBondContact O-N 2.92Å; I806-E810 HydrophobicContact CG2-CB 4.42Å; I806-E810 VanDerWaalsContact O-CB 3.27Å; I806-E810 WeakPolarHBondContact O-CB 3.42Å; I806-E810 PolarHBondContact O-N 3.49Å; I806-A1033 HydrophobicContact CB-CB 4.48Å; I806-A1033 HydrophobicContact CG1-CB 3.94Å; I806-L1034 HydrophobicContact CD1-CD2 3.73Å; I806-L1034 HydrophobicContact CG1-CD2 4.17Å
807K90.8Very high91.3Very high4 Ų429.5 Ų29.52%0.01715%0.145CC..Hα-helixtrans-66.7-16.1-176.7-82.1-79.5155.7-157.80115.5R803 R804 L805 E810 I1361 S1373 F1374 S1397R803-K807 VanDerWaalsContact O-CB 3.27Å; R803-K807 WeakPolarHBondContact O-CB 3.37Å; R803-K807 WeakPolarHBondContact O-CG 2.95Å; R803-K807 PolarHBondContact O-N 2.86Å; R804-K807 PolarHBondContact O-N 3.34Å; L805-K807 VanDerWaalsContact C-N 3.32Å; L805-K807 PolarHBondContact O-N 3.22Å; K807-E810 VanDerWaalsContact CD-OE2 3.27Å; K807-E810 WeakPolarHBondContact CD-OE2 3.46Å; K807-E810 WeakPolarHBondContact CE-OE2 3.4Å; K807-E810 IonicContact NZ-OE1 3.67Å; K807-E810 PolarHBondContact NZ-OE1 3.48Å; K807-E810 IonicContact NZ-OE2 3.36Å; K807-E810 PolarHBondContact NZ-OE2 3.47Å; K807-I1361 HydrophobicContact CB-CD1 4.39Å; K807-S1373 WeakPolarHBondContact CE-OG 3.24Å; K807-S1373 PolarHBondContact NZ-OG 2.96Å; K807-F1374 HydrophobicContact CB-CD2 3.93Å; K807-F1374 HydrophobicContact CB-CE2 4.33Å; K807-F1374 HydrophobicContact CB-CG 4.43Å; K807-F1374 HydrophobicContact CD-CB 4.36Å; K807-F1374 HydrophobicContact CD-CD2 4.28Å; K807-F1374 HydrophobicContact CG-CD2 3.76Å; K807-F1374 HydrophobicContact CG-CE2 4.36Å; K807-F1374 HydrophobicContact CG-CG 4.5Å; K807-S1397 PolarHBondContact NZ-OG 3.14Å
808A91.3Very high91.5Very high2 Ų227.5 Ų27.52%0.01714%0.14CC..Hα-helixtrans-93.6-19.4172.800000113.8R804 L805 I806 I1356 I1361R804-A808 PolarHBondContact O-N 2.98Å; R804-A808 VanDerWaalsContact O-N 3.15Å; L805-A808 PolarHBondContact O-N 3.04Å; L805-A808 VanDerWaalsContact O-N 3.15Å; I806-A808 PolarHBondContact O-N 2.92Å; I806-A808 VanDerWaalsContact O-N 3.15Å; A808-I1356 HydrophobicContact CB-CD1 3.97Å; A808-I1356 HydrophobicContact CB-CG2 3.73Å; A808-I1361 HydrophobicContact CB-CD1 4.06Å; A808-I1361 HydrophobicContact CB-CG1 4Å
809M92.2Very high91.8Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-119.4-6.8-171.7-56.5179.978.200114.1L805 I806 S811 V812 G1029 A1033 L1342 L1343 V1346L805-M809 WeakPolarHBondContact O-CG 3.43Å; L805-M809 PolarHBondContact O-N 3.32Å; I806-M809 PolarHBondContact O-N 2.92Å; M809-S811 PolarHBondContact O-N 3.31Å; M809-V812 WeakPolarHBondContact O-CB 3.26Å; M809-V812 PolarHBondContact O-N 3.47Å; M809-G1029 VanDerWaalsContact CB-O 3.27Å; M809-G1029 WeakPolarHBondContact CB-O 3.46Å; M809-G1029 CarbonylContact O-C 3.51Å; M809-G1029 WeakPolarHBondContact O-CA 3.41Å; M809-A1033 HydrophobicContact CB-CB 4.46Å; M809-A1033 HydrophobicContact SD-CB 4.12Å; M809-L1342 HydrophobicContact CE-CB 4.29Å; M809-L1342 HydrophobicContact CE-CD2 4.15Å; M809-L1342 HydrophobicContact CE-CG 3.87Å; M809-L1343 HydrophobicContact CE-CB 4.28Å; M809-L1343 HydrophobicContact SD-CB 4.4Å; M809-L1343 HydrophobicContact SD-CD1 3.89Å; M809-V1346 HydrophobicContact CE-CG2 4.25Å; M809-V1346 HydrophobicContact CG-CG1 4.21Å; M809-V1346 HydrophobicContact CG-CG2 4.39Å
810E90.9Very high92.3Very high13 Ų1326.1 Ų26.16%0.06113%0.125CC..THydrogen-bonded Turntrans-61-14.7-174.564.6178.7-137.100115.8I806 K807 M1027 M1370 V1396 S1397I806-E810 HydrophobicContact CG2-CB 4.42Å; I806-E810 VanDerWaalsContact O-CB 3.27Å; I806-E810 WeakPolarHBondContact O-CB 3.42Å; I806-E810 PolarHBondContact O-N 3.49Å; K807-E810 VanDerWaalsContact CD-OE2 3.27Å; K807-E810 WeakPolarHBondContact CD-OE2 3.46Å; K807-E810 WeakPolarHBondContact CE-OE2 3.4Å; K807-E810 IonicContact NZ-OE1 3.67Å; K807-E810 PolarHBondContact NZ-OE1 3.48Å; K807-E810 IonicContact NZ-OE2 3.36Å; K807-E810 PolarHBondContact NZ-OE2 3.47Å; E810-M1027 WeakPolarHBondContact O-CE 3.49Å; E810-M1370 HydrophobicContact CG-CE 3.79Å; E810-V1396 VanDerWaalsContact O-CG2 3.31Å; E810-V1396 WeakPolarHBondContact O-CG2 3.27Å; E810-S1397 WeakPolarHBondContact OE1-CB 3.12Å; E810-S1397 PolarHBondContact OE1-OG 2.92Å
811S90.5Very high92.6Very high7 Ų725.2 Ų25.25%0.04912%0.12CC..THydrogen-bonded Turntrans-106.17.9176.468.40000113.9M809 N822 S823M809-S811 PolarHBondContact O-N 3.31Å; S811-N822 CarbonylContact O-C 3.56Å; S811-N822 VanDerWaalsContact O-CA 3.3Å; S811-N822 WeakPolarHBondContact O-CA 3.31Å; S811-S823 PolarHBondContact O-N 3.09Å; S811-S823 PolarHBondContact OG-OG 3.09Å
812V94Very high92.6Very high4 Ų426.3 Ų26.32%0.02413%0.126CC..  trans-96.7119.5-178.3-179.20000110.2M809 V820 R821 N822 V828 G1029 L1342 V1346M809-V812 WeakPolarHBondContact O-CB 3.26Å; M809-V812 PolarHBondContact O-N 3.47Å; V812-V820 HydrophobicContact CG1-CG1 3.43Å; V812-V820 VanDerWaalsContact CG1-CG1 3.43Å; V812-R821 WeakPolarHBondContact CA-O 3.43Å; V812-N822 HydrophobicContact CG2-CB 4.08Å; V812-V828 HydrophobicContact CG1-CG2 4.27Å; V812-G1029 WeakPolarHBondContact O-CA 3.24Å; V812-G1029 PolarHBondContact O-N 2.77Å; V812-L1342 HydrophobicContact CG1-CD1 4.15Å; V812-L1342 HydrophobicContact CG1-CD2 4.35Å; V812-V1346 HydrophobicContact CG2-CG2 4.27Å
813M95.2Very high92.6Very high30 Ų3026.3 Ų26.315%0.14813%0.128CC..EExtended strand (participates in β ladder)trans-142.1165.6-170.570-177.2-66.900112.3V820 R821 E1026 M1027M813-V820 WeakPolarHBondContact O-CA 3.21Å; M813-R821 PolarHBondContact N-O 2.77Å; M813-R821 PolarHBondContact O-N 3.49Å; M813-E1026 VanDerWaalsContact CA-O 3.28Å; M813-E1026 WeakPolarHBondContact CA-O 3.49Å; M813-M1027 HydrophobicContact CB-CE 4.27Å; M813-M1027 HydrophobicContact CB-SD 3.61Å
814V95.8Very high92.5Very high1 Ų127.7 Ų27.71%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-85128.4168.9-174.70000110.2V820 Y832 V1022 G1025 E1026 V1028V814-V820 HydrophobicContact CG2-CG2 4.41Å; V814-Y832 HydrophobicContact CG2-CG 4.44Å; V814-V1022 HydrophobicContact CG1-CG1 4.11Å; V814-V1022 HydrophobicContact CG2-CG1 4.35Å; V814-V1022 HydrophobicContact CG2-CG2 4Å; V814-G1025 PolarHBondContact O-N 3.08Å; V814-E1026 PolarHBondContact N-O 2.84Å; V814-V1028 HydrophobicContact CG2-CB 4.47Å; V814-V1028 HydrophobicContact CG2-CG1 3.67Å; V814-V1028 HydrophobicContact CG2-CG2 3.93Å
815N94.4Very high92.3Very high54 Ų5428.9 Ų28.929%0.28915%0.152SC..  trans-90.8165.4175.3-80.858.7000111.9D817 G818 T819N815-D817 WeakPolarHBondContact CB-OD1 3.46Å; N815-D817 PolarHBondContact O-N 3.12Å; N815-D817 VanDerWaalsContact O-N 3.17Å; N815-G818 VanDerWaalsContact O-CA 3.31Å; N815-G818 WeakPolarHBondContact O-CA 3.48Å; N815-G818 PolarHBondContact O-N 2.7Å; N815-T819 PolarHBondContact N-O 2.96Å
816Y93.2Very high92.2Very high129 Ų12931.3 Ų31.351%0.50616%0.163SC..THydrogen-bonded Turntrans-64.6-14178.6-82.1-78000115.6P1024 F1413Y816-P1024 HydrophobicContact CD1-CB 3.59Å; Y816-P1024 HydrophobicContact CD1-CG 3.94Å; Y816-P1024 HydrophobicContact CD2-CB 4.45Å; Y816-P1024 HydrophobicContact CE1-CB 3.74Å; Y816-P1024 HydrophobicContact CE1-CG 4.25Å; Y816-P1024 HydrophobicContact CG-CB 3.97Å; Y816-F1413 VanDerWaalsContact OH-CD1 3.23Å; Y816-F1413 WeakPolarHBondContact OH-CD1 3.39Å
817D91Very high92.3Very high72 Ų7233.4 Ų33.439%0.38517%0.174SC..THydrogen-bonded Turntrans-82.40.8167.762.80.5000112.8N815 T819 R821 R831N815-D817 WeakPolarHBondContact CB-OD1 3.46Å; N815-D817 PolarHBondContact O-N 3.12Å; N815-D817 VanDerWaalsContact O-N 3.17Å; D817-T819 VanDerWaalsContact C-N 3.28Å; D817-T819 PolarHBondContact O-N 3.29Å; D817-T819 WeakPolarHBondContact OD1-CB 3.48Å; D817-T819 PolarHBondContact OD1-N 2.77Å; D817-T819 PolarHBondContact OD1-OG1 2.73Å; D817-T819 PolarHBondContact OD2-OG1 2.96Å; D817-T819 VanDerWaalsContact OD2-OG1 3.05Å; D817-R821 IonicContact OD2-CZ 2.72Å; D817-R821 IonicContact OD2-NE 2.72Å; D817-R821 IonicContact OD2-NH2 3.81Å; D817-R821 PolarHBondContact OD2-NH2 3.43Å; D817-R831 PolarHBondContact O-NH1 3.4Å; D817-R831 PolarHBondContact O-NH2 2.99Å
818G90.5Very high92.5Very high19 Ų1934.1 Ų34.120%0.19618%0.179CC..SBendtrans71.613.1-175.500000114.6N815 R831N815-G818 VanDerWaalsContact O-CA 3.31Å; N815-G818 WeakPolarHBondContact O-CA 3.48Å; N815-G818 PolarHBondContact O-N 2.7Å; G818-R831 PolarHBondContact O-NH1 2.73Å
819T95.4Very high92.8Very high12 Ų1234.5 Ų34.57%0.07418%0.18CC..  trans-88.5154.8175.366.50000110.9N815 D817 R821 L827N815-T819 PolarHBondContact N-O 2.96Å; D817-T819 VanDerWaalsContact C-N 3.28Å; D817-T819 PolarHBondContact O-N 3.29Å; D817-T819 WeakPolarHBondContact OD1-CB 3.48Å; D817-T819 PolarHBondContact OD1-N 2.77Å; D817-T819 PolarHBondContact OD1-OG1 2.73Å; D817-T819 PolarHBondContact OD2-OG1 2.96Å; D817-T819 VanDerWaalsContact OD2-OG1 3.05Å; T819-R821 PolarHBondContact OG1-NE 3.38Å; T819-L827 HydrophobicContact CG2-CD1 4.13Å
820V96.9Very high92.9Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-96.9122.2173.7-175.20000109.4V812 M813 V814 V828 Q829 Y832 V1028 L1342V812-V820 HydrophobicContact CG1-CG1 3.43Å; V812-V820 VanDerWaalsContact CG1-CG1 3.43Å; M813-V820 WeakPolarHBondContact O-CA 3.21Å; V814-V820 HydrophobicContact CG2-CG2 4.41Å; V820-V828 HydrophobicContact CG1-CB 4.32Å; V820-V828 PolarHBondContact O-N 3.13Å; V820-Q829 HydrophobicContact CB-CB 3.97Å; V820-Q829 HydrophobicContact CB-CG 4.5Å; V820-Q829 HydrophobicContact CG2-CB 4.05Å; V820-Q829 PolarHBondContact N-O 3.26Å; V820-Q829 PolarHBondContact O-N 3.28Å; V820-Y832 HydrophobicContact CG2-CD2 4.35Å; V820-Y832 HydrophobicContact CG2-CG 4.45Å; V820-V1028 HydrophobicContact CG1-CG2 3.92Å; V820-V1028 HydrophobicContact CG2-CG2 4.43Å; V820-L1342 HydrophobicContact CG1-CD1 3.88Å
821R94.7Very high93.1Very high74 Ų7441.8 Ų41.828%0.27922%0.216SC..EExtended strand (participates in β ladder)trans-134.6160.9-176-53.6-170.6-176-138.510112.6V812 M813 D817 T819 G825 H826V812-R821 WeakPolarHBondContact CA-O 3.43Å; M813-R821 PolarHBondContact N-O 2.77Å; M813-R821 PolarHBondContact O-N 3.49Å; D817-R821 IonicContact OD2-CZ 2.72Å; D817-R821 IonicContact OD2-NE 2.72Å; D817-R821 IonicContact OD2-NH2 3.81Å; D817-R821 PolarHBondContact OD2-NH2 3.43Å; T819-R821 PolarHBondContact OG1-NE 3.38Å; R821-G825 PolarHBondContact NH1-O 2.91Å; R821-H826 CarbonylContact C-O 3.5Å; R821-H826 WeakPolarHBondContact CA-O 3.45Å; R821-H826 WeakPolarHBondContact CB-O 2.95Å
822N91.6Very high93.3Very high26 Ų2641.4 Ų41.414%0.13921%0.213CC..  trans-96.1174.3170.592-14.6000112.9S811 V812 M824 G825 H826S811-N822 CarbonylContact O-C 3.56Å; S811-N822 VanDerWaalsContact O-CA 3.3Å; S811-N822 WeakPolarHBondContact O-CA 3.31Å; V812-N822 HydrophobicContact CG2-CB 4.08Å; N822-M824 PolarHBondContact O-N 2.82Å; N822-M824 WeakPolarHBondContact OD1-CB 3.3Å; N822-M824 PolarHBondContact OD1-N 3.37Å; N822-G825 WeakPolarHBondContact O-CA 3.31Å; N822-G825 PolarHBondContact O-N 2.83Å; N822-H826 PolarHBondContact N-O 3.05Å; N822-H826 WeakPolarHBondContact OD1-CB 3.45Å; N822-H826 PolarHBondContact OD1-N 3.34Å; N822-H826 PolarHBondContact OD1-ND1 3.25Å
823S88.8Confident93.2Very high12 Ų1241.4 Ų41.48%0.08421%0.214CC..THydrogen-bonded Turntrans-53.3-24-179.348.40000116.1S811 G825 R1394S811-S823 PolarHBondContact O-N 3.09Å; S811-S823 PolarHBondContact OG-OG 3.09Å; S823-G825 VanDerWaalsContact C-N 3.33Å; S823-R1394 WeakPolarHBondContact O-CB 3.35Å; S823-R1394 VanDerWaalsContact O-CD 3.3Å; S823-R1394 WeakPolarHBondContact O-CD 2.92Å
824M87.4Confident93.1Very high74 Ų7444.1 Ų44.137%0.36523%0.226SC..THydrogen-bonded Turntrans-87.5-1.6176.8-58.5-62.3-6800113.1N822 H826 E1365 V1366 P1392N822-M824 PolarHBondContact O-N 2.82Å; N822-M824 WeakPolarHBondContact OD1-CB 3.3Å; N822-M824 PolarHBondContact OD1-N 3.37Å; M824-H826 VanDerWaalsContact C-N 3.32Å; M824-E1365 WeakPolarHBondContact CE-O 3.39Å; M824-E1365 VanDerWaalsContact CG-O 3.29Å; M824-E1365 WeakPolarHBondContact CG-O 3.45Å; M824-V1366 HydrophobicContact CG-CG1 4.22Å; M824-P1392 HydrophobicContact SD-CG 3.82Å
825G89.1Confident93Very high33 Ų3345.4 Ų45.434%0.3423%0.233SC..  trans79.39.2-173.400000114.4R821 N822 S823 L827R821-G825 PolarHBondContact NH1-O 2.91Å; N822-G825 WeakPolarHBondContact O-CA 3.31Å; N822-G825 PolarHBondContact O-N 2.83Å; S823-G825 VanDerWaalsContact C-N 3.33Å; G825-L827 PolarHBondContact O-N 3.35Å
826H91.1Very high93Very high53 Ų5343 Ų4325%0.24522%0.221CC..  trans-65.6129.9172.4-65.8119.5000109.8R821 N822 M824 K1350R821-H826 CarbonylContact C-O 3.5Å; R821-H826 WeakPolarHBondContact CA-O 3.45Å; R821-H826 WeakPolarHBondContact CB-O 2.95Å; N822-H826 PolarHBondContact N-O 3.05Å; N822-H826 WeakPolarHBondContact OD1-CB 3.45Å; N822-H826 PolarHBondContact OD1-N 3.34Å; N822-H826 PolarHBondContact OD1-ND1 3.25Å; M824-H826 VanDerWaalsContact C-N 3.32Å; H826-K1350 PolarHBondContact CD2-NZ 2.92Å; H826-K1350 VanDerWaalsContact CD2-NZ 3.31Å; H826-K1350 PolarHBondContact CE1-NZ 3.14Å; H826-K1350 PolarHBondContact NE2-NZ 3.1Å; H826-K1350 VanDerWaalsContact NE2-NZ 3.15Å
827L94.4Very high93.1Very high82 Ų8237.2 Ų37.243%0.42920%0.199SC..EExtended strand (participates in β ladder)trans-65.4136.8171.4-172.269.8000110.3T819 G825 Q829 L830T819-L827 HydrophobicContact CG2-CD1 4.13Å; G825-L827 PolarHBondContact O-N 3.35Å; L827-Q829 VanDerWaalsContact CD1-O 3.29Å; L827-Q829 WeakPolarHBondContact CD1-O 3.47Å; L827-L830 HydrophobicContact CD2-CD2 3.76Å; L827-L830 HydrophobicContact CD2-CG 4.26Å
828V94.6Very high93.2Very high19 Ų1935 Ų3512%0.11519%0.187CC..EExtended strand (participates in β ladder)trans-114.5-46.8172.2-175.10000109.9V812 V820 L1342 D1345 V1346 T1349V812-V828 HydrophobicContact CG1-CG2 4.27Å; V820-V828 HydrophobicContact CG1-CB 4.32Å; V820-V828 PolarHBondContact O-N 3.13Å; V828-L1342 HydrophobicContact CG1-CD1 3.78Å; V828-D1345 HydrophobicContact CG1-CB 3.82Å; V828-V1346 HydrophobicContact CG1-CG2 4.06Å; V828-T1349 HydrophobicContact CG1-CG2 4.3Å
829Q96.2Very high93.3Very high10 Ų1034 Ų345%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-137.1144173.6-55.5-176.6-38.100110.4V820 L827 R831 L1342 D1345V820-Q829 HydrophobicContact CB-CB 3.97Å; V820-Q829 HydrophobicContact CB-CG 4.5Å; V820-Q829 HydrophobicContact CG2-CB 4.05Å; V820-Q829 PolarHBondContact N-O 3.26Å; V820-Q829 PolarHBondContact O-N 3.28Å; L827-Q829 VanDerWaalsContact CD1-O 3.29Å; L827-Q829 WeakPolarHBondContact CD1-O 3.47Å; Q829-R831 VanDerWaalsContact C-N 3.34Å; Q829-R831 VanDerWaalsContact CB-O 3.3Å; Q829-R831 WeakPolarHBondContact CB-O 3.47Å; Q829-R831 PolarHBondContact OE1-O 3.49Å; Q829-L1342 HydrophobicContact CG-CD1 4.02Å; Q829-D1345 VanDerWaalsContact CG-OD2 3.31Å; Q829-D1345 WeakPolarHBondContact CG-OD2 3.42Å; Q829-D1345 PolarHBondContact NE2-OD2 3.14Å
830L95.4Very high93.1Very high126 Ų12634.1 Ų34.166%0.6618%0.179SC*.SBendtrans-67.9-34.5173.8-73.1167.8000112.2L827L827-L830 HydrophobicContact CD2-CD2 3.76Å; L827-L830 HydrophobicContact CD2-CG 4.26Å
831R94.5Very high93Very high40 Ų4036.8 Ų36.815%0.15119%0.193CC..SBendtrans-137.6142.1171.4-61.3-65.8151.6-148.56.7108.5D817 G818 Q829 G833 E834D817-R831 PolarHBondContact O-NH1 3.4Å; D817-R831 PolarHBondContact O-NH2 2.99Å; G818-R831 PolarHBondContact O-NH1 2.73Å; Q829-R831 VanDerWaalsContact C-N 3.34Å; Q829-R831 VanDerWaalsContact CB-O 3.3Å; Q829-R831 WeakPolarHBondContact CB-O 3.47Å; Q829-R831 PolarHBondContact OE1-O 3.49Å; R831-G833 PolarHBondContact O-N 2.75Å; R831-E834 PolarHBondContact O-N 3.02Å; R831-E834 VanDerWaalsContact O-N 3.17Å
832Y94.8Very high92.9Very high0 Ų033.3 Ų33.30%018%0.18CC..G310 helixtrans-61.2126.9177.3170.4-130.8000110.7V814 V820 E834 D835 G836 L837 V1022 V1028 R1338V814-Y832 HydrophobicContact CG2-CG 4.44Å; V820-Y832 HydrophobicContact CG2-CD2 4.35Å; V820-Y832 HydrophobicContact CG2-CG 4.45Å; Y832-E834 PolarHBondContact O-N 2.89Å; Y832-D835 PolarHBondContact O-N 3.2Å; Y832-D835 VanDerWaalsContact O-OD1 3.07Å; Y832-G836 WeakPolarHBondContact O-CA 2.99Å; Y832-G836 PolarHBondContact O-N 3.13Å; Y832-L837 WeakPolarHBondContact CD1-O 3.49Å; Y832-V1022 HydrophobicContact CD1-CB 3.99Å; Y832-V1022 HydrophobicContact CD1-CG1 4.32Å; Y832-V1022 HydrophobicContact CD1-CG2 3.61Å; Y832-V1022 HydrophobicContact CE1-CG2 4.03Å; Y832-V1028 HydrophobicContact CD1-CG1 3.95Å; Y832-V1028 HydrophobicContact CD2-CB 3.85Å; Y832-V1028 HydrophobicContact CD2-CG1 3.82Å; Y832-V1028 HydrophobicContact CD2-CG2 4.07Å; Y832-V1028 HydrophobicContact CE1-CB 4.5Å; Y832-V1028 HydrophobicContact CE1-CG1 3.65Å; Y832-V1028 HydrophobicContact CE2-CB 3.51Å; Y832-V1028 HydrophobicContact CE2-CG1 3.58Å; Y832-V1028 HydrophobicContact CE2-CG2 4.2Å; Y832-V1028 HydrophobicContact CG-CB 4.5Å; Y832-V1028 HydrophobicContact CG-CG1 3.99Å; Y832-V1028 VanDerWaalsContact CZ-CG1 3.44Å; Y832-R1338 HydrophobicContact CE2-CB 4.13Å; Y832-R1338 HydrophobicContact CE2-CG 4.38Å; Y832-R1338 WeakPolarHBondContact OH-CD 3.48Å
833G92Very high93Very high4 Ų432.6 Ų32.64%0.04118%0.176CC..G310 helixtrans63.919.4-18000000113.9R831 D835R831-G833 PolarHBondContact O-N 2.75Å; G833-D835 PolarHBondContact O-N 2.93Å
834E93.4Very high93.2Very high86 Ų8635 Ų3540%0.40218%0.184SC..G310 helixtrans65.7-16.7-173.8-62.3159.2-170.300114.9R831 Y832 R1317 Y1337R831-E834 PolarHBondContact O-N 3.02Å; R831-E834 VanDerWaalsContact O-N 3.17Å; Y832-E834 PolarHBondContact O-N 2.89Å; E834-R1317 IonicContact OE1-CZ 3.26Å; E834-R1317 IonicContact OE1-NE 2.62Å; E834-R1317 IonicContact OE1-NH2 3.8Å; E834-R1317 PolarHBondContact OE1-NH2 3.07Å; E834-Y1337 VanDerWaalsContact CD-OH 3.25Å; E834-Y1337 PolarHBondContact OE1-OH 3.1Å; E834-Y1337 VanDerWaalsContact OE2-CE1 3.3Å; E834-Y1337 WeakPolarHBondContact OE2-CE1 3.25Å; E834-Y1337 PolarHBondContact OE2-OH 3.28Å
835D93.8Very high93.5Very high28 Ų2832.2 Ų32.215%0.1517%0.17CC..THydrogen-bonded Turntrans-96.3-36.9177.562.912000114.7Y832 G833 L837 I963 R1338Y832-D835 PolarHBondContact O-N 3.2Å; Y832-D835 VanDerWaalsContact O-OD1 3.07Å; G833-D835 PolarHBondContact O-N 2.93Å; D835-L837 HydrophobicContact CB-CD1 4.09Å; D835-L837 HydrophobicContact CB-CG 4.04Å; D835-L837 PolarHBondContact OD1-N 2.84Å; D835-I963 WeakPolarHBondContact O-CD1 3.32Å; D835-R1338 IonicContact OD1-CZ 2.73Å; D835-R1338 IonicContact OD1-NH1 2.69Å; D835-R1338 PolarHBondContact OD1-NH1 2.91Å; D835-R1338 IonicContact OD1-NH2 3.73Å; D835-R1338 PolarHBondContact OD1-NH2 2.92Å; D835-R1338 IonicContact OD2-CZ 3.82Å; D835-R1338 IonicContact OD2-NH1 3Å; D835-R1338 IonicContact OD2-NH2 2.71Å; D835-R1338 PolarHBondContact OD2-NH2 3.29Å
836G94Very high93.7Very high4 Ų432.8 Ų32.84%0.04117%0.167CC..THydrogen-bonded Turntrans85.320.1-172.200000114.6Y832 V1022Y832-G836 WeakPolarHBondContact O-CA 2.99Å; Y832-G836 PolarHBondContact O-N 3.13Å; G836-V1022 WeakPolarHBondContact O-CG1 3.47Å; G836-V1022 PolarHBondContact O-N 3.14Å; G836-V1022 VanDerWaalsContact O-N 3.09Å
837L95.1Very high93.8Very high7 Ų730.5 Ų30.54%0.03716%0.156CC..BIsolated β-bridgetrans-107164.8-176.6-56.2175.7000112.5Y832 D835 V842 P921 I963 F1017 A1020 R1338Y832-L837 WeakPolarHBondContact CD1-O 3.49Å; D835-L837 HydrophobicContact CB-CD1 4.09Å; D835-L837 HydrophobicContact CB-CG 4.04Å; D835-L837 PolarHBondContact OD1-N 2.84Å; L837-V842 HydrophobicContact CB-CG1 4.33Å; L837-V842 HydrophobicContact CD1-CG1 4.16Å; L837-P921 HydrophobicContact CD1-CB 4.29Å; L837-P921 HydrophobicContact CD1-CG 3.61Å; L837-I963 HydrophobicContact CD2-CD1 4.34Å; L837-F1017 HydrophobicContact CD2-CE2 4.14Å; L837-A1020 CarbonylContact C-O 3.25Å; L837-A1020 VanDerWaalsContact CA-O 3.32Å; L837-A1020 WeakPolarHBondContact CA-O 3.45Å; L837-A1020 WeakPolarHBondContact CB-O 3.33Å; L837-R1338 PolarHBondContact O-NH1 3.12Å
838D94Very high93.6Very high25 Ų2527.5 Ų27.513%0.13414%0.142CC..  trans-78.6132.9168.3-174.6-9.8000110.6A840 L841 A1020D838-A840 PolarHBondContact O-N 3.32Å; D838-A840 WeakPolarHBondContact OD1-CB 3.45Å; D838-A840 PolarHBondContact OD1-N 3.26Å; D838-L841 HydrophobicContact CB-CD1 4.5Å; D838-L841 PolarHBondContact O-N 3Å; D838-A1020 PolarHBondContact N-O 2.92Å
839G91.8Very high93.4Very high0 Ų026.6 Ų26.60%014%0.137CC..THydrogen-bonded Turntrans-66.4-14.6174.700000115N497 N1336N497-G839 WeakPolarHBondContact CB-O 3.41Å; G839-N1336 PolarHBondContact O-ND2 3.17Å
840A92.4Very high93.2Very high13 Ų1326.1 Ų26.111%0.10713%0.134CC..THydrogen-bonded Turntrans-87.6-16.2178.300000114.2P494 D838P494-A840 HydrophobicContact CB-CB 4.06Å; D838-A840 PolarHBondContact O-N 3.32Å; D838-A840 WeakPolarHBondContact OD1-CB 3.45Å; D838-A840 PolarHBondContact OD1-N 3.26Å
841L93Very high93Very high56 Ų5625.9 Ų25.929%0.29313%0.128SC..SBendtrans-114.914.3-172.7-61.4177.8000113.6L599 D838 Q1019 A1020L599-L841 HydrophobicContact CD2-CD2 3.67Å; D838-L841 HydrophobicContact CB-CD1 4.5Å; D838-L841 PolarHBondContact O-N 3Å; L841-Q1019 VanDerWaalsContact CD1-O 3.29Å; L841-Q1019 WeakPolarHBondContact CD1-O 3.03Å; L841-A1020 HydrophobicContact CB-CB 4.15Å
842V93.3Very high92.8Very high1 Ų125.3 Ų25.31%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-106.5143.1175.6-68.50000111.2N497 L837 V919 P921N497-V842 HydrophobicContact CB-CG2 4.09Å; N497-V842 WeakPolarHBondContact CB-O 3.33Å; L837-V842 HydrophobicContact CB-CG1 4.33Å; L837-V842 HydrophobicContact CD1-CG1 4.16Å; V842-V919 HydrophobicContact CB-CG1 3.67Å; V842-V919 HydrophobicContact CG2-CG1 3.43Å; V842-V919 VanDerWaalsContact CG2-CG1 3.43Å; V842-P921 HydrophobicContact CG1-CB 4.3Å
843E93.6Very high92.7Very high12 Ų1226 Ų266%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-120.2160.6-177.9-72.6178.2-115.400111.5L599 Q845 V919 L920 N923 R926L599-E843 HydrophobicContact CD1-CG 3.91Å; L599-E843 WeakPolarHBondContact CD1-OE1 3.48Å; E843-Q845 PolarHBondContact O-N 3.27Å; E843-V919 CarbonylContact O-C 3.6Å; E843-V919 WeakPolarHBondContact O-CA 3.28Å; E843-L920 PolarHBondContact N-O 3.28Å; E843-L920 PolarHBondContact O-N 2.72Å; E843-N923 WeakPolarHBondContact OE1-CB 3.4Å; E843-N923 WeakPolarHBondContact OE2-CB 3.05Å; E843-N923 PolarHBondContact OE2-ND2 2.88Å; E843-R926 IonicContact OE1-CZ 3.94Å; E843-R926 IonicContact OE1-NH2 2.75Å; E843-R926 PolarHBondContact OE1-NH2 3.18Å; E843-R926 IonicContact OE2-CZ 2.92Å; E843-R926 IonicContact OE2-NE 3.81Å; E843-R926 IonicContact OE2-NH2 3.34Å; E843-R926 PolarHBondContact OE2-NH2 3.42Å
844Y93.2Very high92.8Very high63 Ų6329 Ų2925%0.24715%0.148CC..EExtended strand (participates in β ladder)trans-68.5128.7162.9-73.2-69.8000109.8R917 V918 V919 Y1334Y844-R917 HydrophobicContact CD1-CG 3.74Å; Y844-R917 HydrophobicContact CE1-CG 4.42Å; Y844-R917 HydrophobicContact CG-CG 4.39Å; Y844-V918 CarbonylContact C-O 3.25Å; Y844-V918 WeakPolarHBondContact CA-O 3.32Å; Y844-V919 HydrophobicContact CD1-CG2 3.73Å; Y844-V919 HydrophobicContact CE1-CG2 3.62Å; Y844-Y1334 WeakPolarHBondContact OH-CD1 3.49Å; Y844-Y1334 WeakPolarHBondContact OH-CD2 3.19Å; Y844-Y1334 WeakPolarHBondContact OH-CE1 3.33Å; Y844-Y1334 VanDerWaalsContact OH-CE2 3.32Å; Y844-Y1334 WeakPolarHBondContact OH-CE2 3.38Å; Y844-Y1334 VanDerWaalsContact OH-CZ 3.26Å
845Q93.7Very high92.8Very high14 Ų1428.2 Ų28.27%0.06516%0.156CC..EExtended strand (participates in β ladder)trans-136.1157.9175.6-63-170.568.800109.7E843 V918 L920 P921 C922 L924 L985E843-Q845 PolarHBondContact O-N 3.27Å; Q845-V918 PolarHBondContact N-O 3.08Å; Q845-V918 PolarHBondContact O-N 3.44Å; Q845-L920 PolarHBondContact NE2-O 2.99Å; Q845-P921 PolarHBondContact NE2-O 2.72Å; Q845-C922 PolarHBondContact NE2-O 2.98Å; Q845-C922 VanDerWaalsContact NE2-O 3.14Å; Q845-C922 PolarHBondContact OE1-O 3.21Å; Q845-L924 VanDerWaalsContact OE1-N 3.08Å; Q845-L985 HydrophobicContact CB-CD2 4.18Å
846T92.9Very high92.8Very high46 Ų4631 Ų3128%0.28217%0.169SC..EExtended strand (participates in β ladder)trans-100.9147.7177.775.40000111.9P848 S916 L985T846-P848 VanDerWaalsContact O-CD 3.24Å; T846-P848 WeakPolarHBondContact O-CD 3.39Å; T846-S916 CarbonylContact C-O 3.52Å; T846-S916 VanDerWaalsContact CA-O 3.27Å; T846-S916 WeakPolarHBondContact CA-O 2.97Å; T846-L985 WeakPolarHBondContact O-CD1 3.5Å
847L92.9Very high92.8Very high4 Ų431 Ų312%0.02117%0.168CC..  trans-92.699172.7-67.3174.7000110.2S849 L850 L907 F911 S916 V918 L981 L985L847-S849 VanDerWaalsContact C-N 3.28Å; L847-S849 PolarHBondContact O-N 3.3Å; L847-L850 HydrophobicContact CB-CB 4.05Å; L847-L850 HydrophobicContact CD1-CD2 4.32Å; L847-L850 PolarHBondContact O-N 3.25Å; L847-L907 HydrophobicContact CD1-CD1 4.39Å; L847-L907 HydrophobicContact CD1-CD2 4.09Å; L847-L907 HydrophobicContact CD2-CD1 4.42Å; L847-F911 HydrophobicContact CD1-CD2 4.09Å; L847-F911 HydrophobicContact CD1-CE2 3.89Å; L847-S916 PolarHBondContact N-O 3.41Å; L847-V918 HydrophobicContact CD1-CG1 3.73Å; L847-V918 HydrophobicContact CD1-CG2 4.46Å; L847-V918 HydrophobicContact CD2-CG2 4.09Å; L847-V918 HydrophobicContact CG-CG1 4.09Å; L847-V918 HydrophobicContact CG-CG2 3.95Å; L847-L981 HydrophobicContact CD1-CD1 4.21Å; L847-L981 HydrophobicContact CD2-CD1 4.22Å; L847-L985 HydrophobicContact CD2-CB 4.28Å; L847-L985 HydrophobicContact CD2-CD1 4.43Å
848P90.9Very high92.7Very high19 Ų1934.5 Ų34.512%0.12318%0.184CC..THydrogen-bonded Turntrans-70.6-19.9-167.828.3-36.9000114.4T846 L852 S988T846-P848 VanDerWaalsContact O-CD 3.24Å; T846-P848 WeakPolarHBondContact O-CD 3.39Å; P848-L852 WeakPolarHBondContact O-CD1 3.4Å; P848-L852 WeakPolarHBondContact O-CG 3.39Å; P848-S988 WeakPolarHBondContact CG-O 3.48Å
849S91.3Very high92.6Very high1 Ų140.7 Ų40.71%0.00721%0.21CC..THydrogen-bonded Turntrans-84.9-22.6178.855.80000114L847 R904L847-S849 VanDerWaalsContact C-N 3.28Å; L847-S849 PolarHBondContact O-N 3.3Å; S849-R904 WeakPolarHBondContact O-CD 3.36Å; S849-R904 PolarHBondContact O-NE 3.14Å
850L91.6Very high92.6Very high0 Ų045.1 Ų45.10%023%0.226CC..THydrogen-bonded Turntrans-66.8-57.3-165.2-176.964000112.6L847 L907 R908 F911 E915 Y1270L847-L850 HydrophobicContact CB-CB 4.05Å; L847-L850 HydrophobicContact CD1-CD2 4.32Å; L847-L850 PolarHBondContact O-N 3.25Å; L850-L907 HydrophobicContact CD1-CB 4Å; L850-R908 HydrophobicContact CD1-CG 3.86Å; L850-R908 PolarHBondContact O-NE 3.45Å; L850-R908 PolarHBondContact O-NH2 3.5Å; L850-F911 HydrophobicContact CD2-CB 4.08Å; L850-E915 VanDerWaalsContact CD2-O 3.23Å; L850-E915 WeakPolarHBondContact CD2-O 3.39Å; L850-Y1270 HydrophobicContact CD1-CE2 4.22Å; L850-Y1270 VanDerWaalsContact CD1-OH 3.3Å; L850-Y1270 WeakPolarHBondContact CD1-OH 3.31Å; L850-Y1270 HydrophobicContact CG-CE2 4.06Å; L850-Y1270 WeakPolarHBondContact O-CE2 3.5Å
851K90.2Very high92.7Very high121 Ų12144.7 Ų44.753%0.52622%0.222SC..SBendtrans-81-13.9-169.1-76.1176.6172.6167.40115.3G914 S916 Y1270K851-G914 WeakPolarHBondContact CE-O 3.27Å; K851-S916 WeakPolarHBondContact CE-OG 3.12Å; K851-S916 PolarHBondContact NZ-OG 3.17Å; K851-Y1270 HydrophobicContact CG-CD2 4.46Å
852L90.5Very high92.6Very high27 Ų2747.7 Ų47.714%0.14123%0.229CC..  trans-65144.2-174.7-61.9176.1000112.3P848 M856 F857 Y861 R904 R908P848-L852 WeakPolarHBondContact O-CD1 3.4Å; P848-L852 WeakPolarHBondContact O-CG 3.39Å; L852-M856 HydrophobicContact CB-CB 4.41Å; L852-M856 HydrophobicContact CD2-CB 4.36Å; L852-F857 HydrophobicContact CB-CB 4.16Å; L852-F857 HydrophobicContact CD1-CB 4.41Å; L852-F857 HydrophobicContact CD1-CD2 4.48Å; L852-Y861 HydrophobicContact CD1-CE2 4.07Å; L852-R904 PolarHBondContact O-NH2 3.37Å; L852-R908 PolarHBondContact O-NH2 2.84Å
853S93Very high92.2Very high15 Ų1548.4 Ų48.411%0.10523%0.233CC..  trans-62.3159.9161.665.60000111.1A855 M856 F857 E1267 E1269S853-A855 VanDerWaalsContact C-N 3.35Å; S853-A855 PolarHBondContact O-N 3.2Å; S853-M856 PolarHBondContact O-N 3.15Å; S853-M856 WeakPolarHBondContact OG-CB 3.43Å; S853-M856 WeakPolarHBondContact OG-CG 3.28Å; S853-M856 PolarHBondContact OG-N 3.31Å; S853-F857 WeakPolarHBondContact O-CB 3.48Å; S853-F857 PolarHBondContact O-N 3.42Å; S853-E1267 CarbonylContact C-O 3.56Å; S853-E1267 WeakPolarHBondContact CA-O 3.46Å; S853-E1267 WeakPolarHBondContact CB-O 3.25Å; S853-E1269 WeakPolarHBondContact CB-OE1 3.48Å
854N93.3Very high91.6Very high67 Ų6751.6 Ų51.636%0.35825%0.251SS..Hα-helixtrans-59.1-45.1-177.7-65.9-24.3000111.5M856 F857 E858 R904 P1266 E1267N854-M856 PolarHBondContact O-N 3.37Å; N854-F857 PolarHBondContact O-N 2.8Å; N854-E858 PolarHBondContact O-N 3.5Å; N854-R904 PolarHBondContact OD1-NH1 3.26Å; N854-R904 PolarHBondContact OD1-NH2 3.29Å; N854-P1266 PolarHBondContact ND2-O 3.32Å; N854-E1267 PolarHBondContact N-O 3.39Å; N854-E1267 PolarHBondContact ND2-O 3.04Å
855A93.7Very high90.6Very high69 Ų6950.2 Ų50.257%0.5725%0.249SC*.Hα-helixtrans-65-38176.600000113.1S853 K859S853-A855 VanDerWaalsContact C-N 3.35Å; S853-A855 PolarHBondContact O-N 3.2Å; A855-K859 WeakPolarHBondContact O-CB 3.25Å; A855-K859 PolarHBondContact O-N 3.25Å
856M93.3Very high89.8Confident87 Ų8754.2 Ų54.243%0.42928%0.279SS..Hα-helixtrans-74-31.9176.6-73.5-68.5-69.200112.6L852 S853 N854 K859 R860L852-M856 HydrophobicContact CB-CB 4.41Å; L852-M856 HydrophobicContact CD2-CB 4.36Å; S853-M856 PolarHBondContact O-N 3.15Å; S853-M856 WeakPolarHBondContact OG-CB 3.43Å; S853-M856 WeakPolarHBondContact OG-CG 3.28Å; S853-M856 PolarHBondContact OG-N 3.31Å; N854-M856 PolarHBondContact O-N 3.37Å; M856-K859 HydrophobicContact SD-CD 4.35Å; M856-R860 VanDerWaalsContact O-CB 3.3Å; M856-R860 WeakPolarHBondContact O-CB 3.39Å; M856-R860 PolarHBondContact O-N 3.43Å
857F94.3Very high89.2Confident4 Ų455.6 Ų55.62%0.01828%0.284CS..Hα-helixtrans-65.4-52.7172.1176.5-100.6000110.9L852 S853 N854 K859 R860 Y861 F897 L900 E901 R904L852-F857 HydrophobicContact CB-CB 4.16Å; L852-F857 HydrophobicContact CD1-CB 4.41Å; L852-F857 HydrophobicContact CD1-CD2 4.48Å; S853-F857 WeakPolarHBondContact O-CB 3.48Å; S853-F857 PolarHBondContact O-N 3.42Å; N854-F857 PolarHBondContact O-N 2.8Å; F857-K859 PolarHBondContact O-N 2.73Å; F857-R860 PolarHBondContact O-N 3.3Å; F857-R860 VanDerWaalsContact O-N 3.15Å; F857-Y861 AromaticContact CD2-CD2 3.36Å; F857-Y861 HydrophobicContact CD2-CD2 3.36Å; F857-Y861 AromaticContact CD2-CE2 3.68Å; F857-Y861 HydrophobicContact CD2-CE2 3.68Å; F857-Y861 HydrophobicContact CD2-CG 4.4Å; F857-Y861 AromaticContact CE2-CD2 3.38Å; F857-Y861 HydrophobicContact CE2-CD2 3.38Å; F857-Y861 AromaticContact CE2-CE2 3.75Å; F857-Y861 HydrophobicContact CE2-CE2 3.75Å; F857-Y861 HydrophobicContact CE2-CG 4.09Å; F857-Y861 HydrophobicContact CG-CD2 4.13Å; F857-Y861 HydrophobicContact CZ-CD2 4.18Å; F857-Y861 WeakPolarHBondContact O-CD2 3.14Å; F857-Y861 PolarHBondContact O-N 2.88Å; F857-F897 HydrophobicContact CD1-CE2 4.28Å; F857-F897 HydrophobicContact CD1-CZ 4.37Å; F857-F897 AromaticContact CE1-CE2 3.81Å; F857-F897 HydrophobicContact CE1-CE2 3.81Å; F857-F897 HydrophobicContact CE1-CZ 4.03Å; F857-L900 HydrophobicContact CZ-CB 4.01Å; F857-L900 WeakPolarHBondContact CZ-O 3.35Å; F857-E901 HydrophobicContact CE1-CB 4.36Å; F857-R904 HydrophobicContact CE2-CB 4.25Å; F857-R904 VanDerWaalsContact CE2-CD 3.4Å; F857-R904 HydrophobicContact CE2-CG 4.46Å; F857-R904 HydrophobicContact CZ-CB 4.3Å
858E92.9Very high88.7Confident81 Ų8159.4 Ų59.438%0.37930%0.302SS..Hα-helixtrans-57.1-48.5175.7-173.9176.7-160.900111.1N854 R860 Y861 R862 F897N854-E858 PolarHBondContact O-N 3.5Å; E858-R860 VanDerWaalsContact C-N 3.28Å; E858-R860 PolarHBondContact O-N 3.14Å; E858-Y861 PolarHBondContact O-N 3.49Å; E858-R862 HydrophobicContact CG-CB 3.74Å; E858-R862 HydrophobicContact CG-CG 4.38Å; E858-R862 VanDerWaalsContact O-CB 3.29Å; E858-R862 WeakPolarHBondContact O-CB 3.39Å; E858-R862 PolarHBondContact O-N 3.13Å; E858-R862 WeakPolarHBondContact OE1-CD 3.4Å; E858-R862 IonicContact OE1-CZ 3.83Å; E858-R862 IonicContact OE1-NE 2.69Å; E858-R862 IonicContact OE1-NH1 3.42Å; E858-R862 PolarHBondContact OE1-NH1 3.08Å; E858-F897 HydrophobicContact CB-CZ 4.45Å; E858-F897 HydrophobicContact CG-CZ 4.29Å
859K91.9Very high88.4Confident154 Ų15467.3 Ų67.367%0.6733%0.329SS*.Hα-helixtrans-56.5-38.6176.9-176.7176178.8179.20113A855 M856 F857 K993A855-K859 WeakPolarHBondContact O-CB 3.25Å; A855-K859 PolarHBondContact O-N 3.25Å; M856-K859 HydrophobicContact SD-CD 4.35Å; F857-K859 PolarHBondContact O-N 2.73Å; K859-K993 PolarHBondContact O-NZ 3.03Å
860R92.3Very high88Confident93 Ų9369.2 Ų69.235%0.35134%0.339SS..Hα-helixtrans-79.5-33.7-179.6-177.5170.7-74.1174.5-4.8113.6M856 F857 E858 R994M856-R860 VanDerWaalsContact O-CB 3.3Å; M856-R860 WeakPolarHBondContact O-CB 3.39Å; M856-R860 PolarHBondContact O-N 3.43Å; F857-R860 PolarHBondContact O-N 3.3Å; F857-R860 VanDerWaalsContact O-N 3.15Å; E858-R860 VanDerWaalsContact C-N 3.28Å; E858-R860 PolarHBondContact O-N 3.14Å; R860-R994 HydrophobicContact CG-CG 4.41Å
861Y94.2Very high87.7Confident4 Ų469.3 Ų69.32%0.01634%0.339CS..Hα-helixtrans-113-34.7-169.1-69-74.4000115.4L852 F857 E858 M863 L900 S988 A991 R994L852-Y861 HydrophobicContact CD1-CE2 4.07Å; F857-Y861 AromaticContact CD2-CD2 3.36Å; F857-Y861 HydrophobicContact CD2-CD2 3.36Å; F857-Y861 AromaticContact CD2-CE2 3.68Å; F857-Y861 HydrophobicContact CD2-CE2 3.68Å; F857-Y861 HydrophobicContact CD2-CG 4.4Å; F857-Y861 AromaticContact CE2-CD2 3.38Å; F857-Y861 HydrophobicContact CE2-CD2 3.38Å; F857-Y861 AromaticContact CE2-CE2 3.75Å; F857-Y861 HydrophobicContact CE2-CE2 3.75Å; F857-Y861 HydrophobicContact CE2-CG 4.09Å; F857-Y861 HydrophobicContact CG-CD2 4.13Å; F857-Y861 HydrophobicContact CZ-CD2 4.18Å; F857-Y861 WeakPolarHBondContact O-CD2 3.14Å; F857-Y861 PolarHBondContact O-N 2.88Å; E858-Y861 PolarHBondContact O-N 3.49Å; Y861-M863 PolarHBondContact O-N 2.94Å; Y861-L900 HydrophobicContact CD1-CD1 3.78Å; Y861-L900 HydrophobicContact CG-CD1 4.27Å; Y861-S988 VanDerWaalsContact CE1-O 3.24Å; Y861-S988 WeakPolarHBondContact CE1-O 3.09Å; Y861-S988 PolarHBondContact OH-O 3.36Å; Y861-A991 HydrophobicContact CD1-CB 3.87Å; Y861-A991 HydrophobicContact CE1-CB 4.13Å; Y861-R994 HydrophobicContact CD1-CG 4.36Å; Y861-R994 VanDerWaalsContact CE1-CD 3.49Å; Y861-R994 HydrophobicContact CE1-CG 4.06Å
862R91.9Very high87.5Confident119 Ų11968.7 Ų68.745%0.44933%0.334SS..  trans-72.9117-177.2-168.6178-179.3179.42110.7E858 F897 K993E858-R862 HydrophobicContact CG-CB 3.74Å; E858-R862 HydrophobicContact CG-CG 4.38Å; E858-R862 VanDerWaalsContact O-CB 3.29Å; E858-R862 WeakPolarHBondContact O-CB 3.39Å; E858-R862 PolarHBondContact O-N 3.13Å; E858-R862 WeakPolarHBondContact OE1-CD 3.4Å; E858-R862 IonicContact OE1-CZ 3.83Å; E858-R862 IonicContact OE1-NE 2.69Å; E858-R862 IonicContact OE1-NH1 3.42Å; E858-R862 PolarHBondContact OE1-NH1 3.08Å; R862-F897 HydrophobicContact CB-CD2 3.78Å; R862-F897 HydrophobicContact CB-CE1 4.45Å; R862-F897 HydrophobicContact CB-CE2 3.63Å; R862-F897 HydrophobicContact CB-CG 4.26Å; R862-F897 HydrophobicContact CB-CZ 3.99Å; R862-F897 HydrophobicContact CG-CD1 4.34Å; R862-F897 HydrophobicContact CG-CD2 4.31Å; R862-F897 HydrophobicContact CG-CE1 4.42Å; R862-F897 HydrophobicContact CG-CE2 4.39Å; R862-F897 HydrophobicContact CG-CG 4.28Å; R862-F897 HydrophobicContact CG-CZ 4.44Å; R862-K993 VanDerWaalsContact O-CD 3.28Å; R862-K993 WeakPolarHBondContact O-CD 3.31Å; R862-K993 WeakPolarHBondContact O-CE 3.33Å; R862-K993 PolarHBondContact O-NZ 3.34Å
863M84.4Confident87.2Confident17 Ų1773.6 Ų73.68%0.08435%0.354CS..  trans-86.5119.5170.9-166170.9-168.900108.9Y861 L871 Y875 L883 L893 P947Y861-M863 PolarHBondContact O-N 2.94Å; M863-L871 HydrophobicContact CE-CD2 3.54Å; M863-Y875 HydrophobicContact CE-CE2 3.43Å; M863-Y875 VanDerWaalsContact CE-CE2 3.43Å; M863-Y875 VanDerWaalsContact CE-OH 3.26Å; M863-Y875 WeakPolarHBondContact CE-OH 3.42Å; M863-L883 HydrophobicContact CE-CD1 4.44Å; M863-L893 HydrophobicContact CB-CD2 4.25Å; M863-L893 HydrophobicContact CG-CD1 4.44Å; M863-L893 HydrophobicContact CG-CD2 4.46Å; M863-L893 HydrophobicContact SD-CD1 3.84Å; M863-L893 HydrophobicContact SD-CD2 3.54Å; M863-L893 VanDerWaalsContact SD-CD2 3.54Å; M863-L893 HydrophobicContact SD-CG 4.35Å; M863-P947 HydrophobicContact CE-CG 4.09Å; M863-P947 HydrophobicContact SD-CG 4.37Å
864D80.6Confident86.9Confident79 Ų7973.2 Ų73.242%0.42235%0.351SS..  trans-100.1113.2174.8-174.5-6.2000108.7S866D864-S866 PolarHBondContact O-N 3.35Å; D864-S866 WeakPolarHBondContact OD1-CB 3.34Å; D864-S866 PolarHBondContact OD1-N 3.04Å; D864-S866 PolarHBondContact OD1-OG 2.9Å
865P72.9Confident86.7Confident34 Ų3470.1 Ų70.122%0.22133%0.334CS..THydrogen-bonded Turntrans-69.8-12.2178.230.1-35000113.1L884 M890P865-L884 WeakPolarHBondContact O-CD2 3.44Å; P865-M890 HydrophobicContact CB-CG 4.28Å; P865-M890 HydrophobicContact CB-SD 4.2Å; P865-M890 HydrophobicContact CG-CG 4.03Å; P865-M890 HydrophobicContact CG-SD 3.78Å
866S76.7Confident86.5Confident97 Ų9768.2 Ų68.268%0.67832%0.316SS*.THydrogen-bonded Turntrans-73.3-26.6-176.8-39.70000113.4D864 E868D864-S866 PolarHBondContact O-N 3.35Å; D864-S866 WeakPolarHBondContact OD1-CB 3.34Å; D864-S866 PolarHBondContact OD1-N 3.04Å; D864-S866 PolarHBondContact OD1-OG 2.9Å; S866-E868 VanDerWaalsContact C-N 3.32Å; S866-E868 PolarHBondContact O-N 2.64Å; S866-E868 VanDerWaalsContact O-N 3.08Å
867D81.2Confident86.1Confident76 Ų7669.2 Ų69.241%0.40632%0.32SS..  trans-86.172.4177.6-168.3-10.9000111R869 M870 L871D867-R869 PolarHBondContact O-N 3.27Å; D867-R869 VanDerWaalsContact O-N 3.12Å; D867-R869 WeakPolarHBondContact OD1-CB 3.24Å; D867-R869 PolarHBondContact OD1-N 2.84Å; D867-M870 HydrophobicContact CB-CB 3.88Å; D867-M870 WeakPolarHBondContact O-CB 3.41Å; D867-M870 PolarHBondContact O-N 2.83Å; D867-M870 WeakPolarHBondContact OD1-CB 3.33Å; D867-M870 PolarHBondContact OD1-N 3.31Å; D867-M870 WeakPolarHBondContact OD2-CB 3.47Å; D867-L871 PolarHBondContact O-N 3.21Å
868E81.4Confident85.8Confident83 Ų8372.9 Ų72.939%0.38834%0.343SS..Hα-helixtrans-50.4-35.1174178.4179.6-16400112.3S866 M870 L871 R872 L884S866-E868 VanDerWaalsContact C-N 3.32Å; S866-E868 PolarHBondContact O-N 2.64Å; S866-E868 VanDerWaalsContact O-N 3.08Å; E868-M870 VanDerWaalsContact C-N 3.31Å; E868-M870 PolarHBondContact O-N 2.95Å; E868-L871 PolarHBondContact O-N 3.16Å; E868-R872 HydrophobicContact CG-CG 4.19Å; E868-R872 WeakPolarHBondContact O-CB 3.49Å; E868-R872 VanDerWaalsContact O-CG 3.3Å; E868-R872 WeakPolarHBondContact O-CG 3.35Å; E868-R872 PolarHBondContact O-N 3.18Å; E868-R872 IonicContact OE1-CZ 2.69Å; E868-R872 IonicContact OE1-NE 2.95Å; E868-R872 PolarHBondContact OE1-NE 3.34Å; E868-R872 IonicContact OE1-NH2 3.92Å; E868-R872 PolarHBondContact OE1-NH2 3.3Å; E868-L884 HydrophobicContact CG-CD1 4.12Å
869R84.6Confident85.6Confident186 Ų18669.5 Ų69.570%0.70233%0.328SS*.Hα-helixtrans-68.1-31.2179.8-173.3-172.3-174.3-155.85.8112.1D867 K873D867-R869 PolarHBondContact O-N 3.27Å; D867-R869 VanDerWaalsContact O-N 3.12Å; D867-R869 WeakPolarHBondContact OD1-CB 3.24Å; D867-R869 PolarHBondContact OD1-N 2.84Å; R869-K873 WeakPolarHBondContact O-CD 3.27Å; R869-K873 VanDerWaalsContact O-CG 3.28Å; R869-K873 WeakPolarHBondContact O-CG 3.32Å
870M83.7Confident85.3Confident41 Ų4162.2 Ų62.220%0.20230%0.296CS..Hα-helixtrans-82.2-34.1175.9173.3-92.2-153.300111.7D867 E868 T874 F997D867-M870 HydrophobicContact CB-CB 3.88Å; D867-M870 WeakPolarHBondContact O-CB 3.41Å; D867-M870 PolarHBondContact O-N 2.83Å; D867-M870 WeakPolarHBondContact OD1-CB 3.33Å; D867-M870 PolarHBondContact OD1-N 3.31Å; D867-M870 WeakPolarHBondContact OD2-CB 3.47Å; E868-M870 VanDerWaalsContact C-N 3.31Å; E868-M870 PolarHBondContact O-N 2.95Å; M870-T874 PolarHBondContact O-OG1 3.48Å; M870-F997 HydrophobicContact CE-CD1 4.16Å; M870-F997 HydrophobicContact CE-CE1 3.52Å; M870-F997 HydrophobicContact CE-CE2 4Å; M870-F997 HydrophobicContact CE-CZ 3.45Å; M870-F997 VanDerWaalsContact CE-CZ 3.45Å; M870-F997 HydrophobicContact CG-CE1 3.72Å; M870-F997 HydrophobicContact CG-CZ 4.08Å; M870-F997 HydrophobicContact SD-CE1 3.5Å; M870-F997 WeakPolarHBondContact SD-CE1 3.33Å; M870-F997 HydrophobicContact SD-CE2 4.2Å; M870-F997 HydrophobicContact SD-CZ 3.23Å; M870-F997 WeakPolarHBondContact SD-CZ 3.42Å
871L84.5Confident85Confident1 Ų165.3 Ų65.31%0.00531%0.308CS..Hα-helixtrans-64.8-51.3170.6-63.8179.2000112.3M863 D867 E868 K873 T874 Y875 V880 L884M863-L871 HydrophobicContact CE-CD2 3.54Å; D867-L871 PolarHBondContact O-N 3.21Å; E868-L871 PolarHBondContact O-N 3.16Å; L871-K873 PolarHBondContact O-N 3.06Å; L871-K873 VanDerWaalsContact O-N 3.11Å; L871-T874 PolarHBondContact O-N 3.04Å; L871-Y875 HydrophobicContact CD2-CD2 4.16Å; L871-Y875 HydrophobicContact CD2-CE2 4.04Å; L871-Y875 PolarHBondContact O-N 3.24Å; L871-V880 HydrophobicContact CB-CG1 4.36Å; L871-V880 HydrophobicContact CB-CG2 4.24Å; L871-L884 HydrophobicContact CD1-CD2 4.4Å
872R85.6Confident84.6Confident109 Ų10968.4 Ų68.441%0.41133%0.325SS..THydrogen-bonded Turntrans-62-16.3179.5-72.2178.5178.4-85.80.2114.9E868 E877 V880E868-R872 HydrophobicContact CG-CG 4.19Å; E868-R872 WeakPolarHBondContact O-CB 3.49Å; E868-R872 VanDerWaalsContact O-CG 3.3Å; E868-R872 WeakPolarHBondContact O-CG 3.35Å; E868-R872 PolarHBondContact O-N 3.18Å; E868-R872 IonicContact OE1-CZ 2.69Å; E868-R872 IonicContact OE1-NE 2.95Å; E868-R872 PolarHBondContact OE1-NE 3.34Å; E868-R872 IonicContact OE1-NH2 3.92Å; E868-R872 PolarHBondContact OE1-NH2 3.3Å; R872-E877 IonicContact CZ-OE1 3.66Å; R872-E877 IonicContact CZ-OE2 2.97Å; R872-E877 IonicContact NH1-OE1 3.69Å; R872-E877 PolarHBondContact NH1-OE1 3.18Å; R872-E877 IonicContact NH1-OE2 3.6Å; R872-E877 PolarHBondContact NH1-OE2 3.36Å; R872-E877 IonicContact NH2-OE1 3.65Å; R872-V880 HydrophobicContact CG-CG1 3.9Å; R872-V880 HydrophobicContact CG-CG2 4.32Å
873K85.9Confident84.2Confident130 Ų13063.1 Ų63.157%0.56531%0.305SS*.THydrogen-bonded Turntrans-85-10.8173.7-81.1175.4176.5-1770113.9R869 L871 L942R869-K873 WeakPolarHBondContact O-CD 3.27Å; R869-K873 VanDerWaalsContact O-CG 3.28Å; R869-K873 WeakPolarHBondContact O-CG 3.32Å; L871-K873 PolarHBondContact O-N 3.06Å; L871-K873 VanDerWaalsContact O-N 3.11Å; K873-L942 VanDerWaalsContact C-CD2 3.44Å; K873-L942 WeakPolarHBondContact O-CD2 3.3Å
874T86.6Confident84.2Confident7 Ų766 Ų664%0.04332%0.32CS..THydrogen-bonded Turntrans-125.3-45.4-166.8-57.20000112M870 L871 L942 T943 A996 F997M870-T874 PolarHBondContact O-OG1 3.48Å; L871-T874 PolarHBondContact O-N 3.04Å; T874-L942 CarbonylContact O-C 3.57Å; T874-L942 VanDerWaalsContact O-CA 3.28Å; T874-L942 WeakPolarHBondContact O-CA 3.42Å; T874-T943 HydrophobicContact CG2-CG2 4.29Å; T874-T943 WeakPolarHBondContact O-CG2 3.38Å; T874-T943 PolarHBondContact O-N 3.35Å; T874-A996 HydrophobicContact CG2-CB 3.91Å; T874-A996 VanDerWaalsContact CG2-O 3.22Å; T874-A996 WeakPolarHBondContact CG2-O 3.33Å; T874-F997 HydrophobicContact CG2-CD1 4.17Å; T874-F997 HydrophobicContact CG2-CD2 4.13Å; T874-F997 HydrophobicContact CG2-CE1 3.95Å; T874-F997 HydrophobicContact CG2-CE2 3.91Å; T874-F997 HydrophobicContact CG2-CG 4.25Å; T874-F997 HydrophobicContact CG2-CZ 3.79Å; T874-F997 WeakPolarHBondContact OG1-CE1 3.35Å; T874-F997 WeakPolarHBondContact OG1-CZ 3.16Å
875Y89.2Confident84.1Confident2 Ų265.5 Ų65.51%0.00833%0.334CS..BIsolated β-bridgetrans-100.5158.8-178.3-64.6-80.7000112.6M863 L871 V879 T943 L945 P947 A996 F997M863-Y875 HydrophobicContact CE-CE2 3.43Å; M863-Y875 VanDerWaalsContact CE-CE2 3.43Å; M863-Y875 VanDerWaalsContact CE-OH 3.26Å; M863-Y875 WeakPolarHBondContact CE-OH 3.42Å; L871-Y875 HydrophobicContact CD2-CD2 4.16Å; L871-Y875 HydrophobicContact CD2-CE2 4.04Å; L871-Y875 PolarHBondContact O-N 3.24Å; Y875-V879 HydrophobicContact CD1-CB 4.43Å; Y875-V879 HydrophobicContact CD1-CG1 3.64Å; Y875-V879 HydrophobicContact CE1-CG1 4.34Å; Y875-V879 HydrophobicContact CG-CG1 3.94Å; Y875-T943 CarbonylContact C-O 3.57Å; Y875-T943 WeakPolarHBondContact CA-O 3.16Å; Y875-T943 HydrophobicContact CD1-CG2 3.82Å; Y875-T943 HydrophobicContact CE1-CG2 3.99Å; Y875-L945 WeakPolarHBondContact CE1-O 3.46Å; Y875-P947 HydrophobicContact CE1-CG 3.9Å; Y875-A996 HydrophobicContact CE1-CB 3.71Å; Y875-A996 HydrophobicContact CE2-CB 4.18Å; Y875-A996 WeakPolarHBondContact OH-CB 3.48Å; Y875-F997 HydrophobicContact CE2-CE2 4Å; Y875-F997 HydrophobicContact CE2-CZ 4.37Å
876S88Confident84.6Confident28 Ų2865.5 Ų65.520%0.19634%0.335CS..  trans-62.9150165.362.20000111.9T878 V879 V880 T943S876-T878 PolarHBondContact O-N 2.86Å; S876-T878 VanDerWaalsContact O-N 3.11Å; S876-T878 PolarHBondContact OG-OG1 3.39Å; S876-T878 VanDerWaalsContact OG-OG1 3.06Å; S876-V879 PolarHBondContact O-N 3.21Å; S876-V879 WeakPolarHBondContact OG-CG2 3.4Å; S876-V880 WeakPolarHBondContact O-CG2 3.38Å; S876-V880 PolarHBondContact O-N 3.21Å; S876-T943 PolarHBondContact N-O 2.83Å
877E86.1Confident84.9Confident109 Ų10964.1 Ų64.151%0.50933%0.33SS..Hα-helixtrans-54.4-33.2-178.5-172.165.8-169.600113.2R872 R881R872-E877 IonicContact CZ-OE1 3.66Å; R872-E877 IonicContact CZ-OE2 2.97Å; R872-E877 IonicContact NH1-OE1 3.69Å; R872-E877 PolarHBondContact NH1-OE1 3.18Å; R872-E877 IonicContact NH1-OE2 3.6Å; R872-E877 PolarHBondContact NH1-OE2 3.36Å; R872-E877 IonicContact NH2-OE1 3.65Å; E877-R881 WeakPolarHBondContact O-CB 3.38Å; E877-R881 PolarHBondContact O-N 2.65Å
878T87.1Confident85.2Confident81 Ų8167 Ų6750%0.49734%0.34SS..Hα-helixtrans-61.5-50.617547.70000111.8S876 R881 D882S876-T878 PolarHBondContact O-N 2.86Å; S876-T878 VanDerWaalsContact O-N 3.11Å; S876-T878 PolarHBondContact OG-OG1 3.39Å; S876-T878 VanDerWaalsContact OG-OG1 3.06Å; T878-R881 PolarHBondContact O-N 3.07Å; T878-D882 WeakPolarHBondContact O-CB 3.34Å; T878-D882 PolarHBondContact O-N 2.56Å; T878-D882 VanDerWaalsContact O-N 3.12Å
879V88Confident85.3Confident9 Ų963 Ų636%0.05532%0.322CS..Hα-helixtrans-66.7-38.9179.7173.40000111Y875 S876 D882 L883 H946Y875-V879 HydrophobicContact CD1-CB 4.43Å; Y875-V879 HydrophobicContact CD1-CG1 3.64Å; Y875-V879 HydrophobicContact CE1-CG1 4.34Å; Y875-V879 HydrophobicContact CG-CG1 3.94Å; S876-V879 PolarHBondContact O-N 3.21Å; S876-V879 WeakPolarHBondContact OG-CG2 3.4Å; V879-D882 PolarHBondContact O-N 3.33Å; V879-L883 HydrophobicContact CG1-CD1 3.78Å; V879-L883 HydrophobicContact CG1-CG 4.21Å; V879-L883 WeakPolarHBondContact O-CB 3.17Å; V879-L883 WeakPolarHBondContact O-CG 3.43Å; V879-L883 PolarHBondContact O-N 3.06Å; V879-H946 HydrophobicContact CG2-CB 4.34Å
880V86.6Confident85.3Confident1 Ų157.7 Ų57.71%0.00631%0.306CS..Hα-helixtrans-60.9-49.1176.7177.70000111.6L871 R872 S876 D882 L883 L884L871-V880 HydrophobicContact CB-CG1 4.36Å; L871-V880 HydrophobicContact CB-CG2 4.24Å; R872-V880 HydrophobicContact CG-CG1 3.9Å; R872-V880 HydrophobicContact CG-CG2 4.32Å; S876-V880 WeakPolarHBondContact O-CG2 3.38Å; S876-V880 PolarHBondContact O-N 3.21Å; V880-D882 VanDerWaalsContact C-N 3.33Å; V880-D882 PolarHBondContact O-N 3.23Å; V880-L883 PolarHBondContact O-N 2.86Å; V880-L884 HydrophobicContact CG1-CD1 3.8Å; V880-L884 WeakPolarHBondContact O-CG 3.18Å; V880-L884 PolarHBondContact O-N 2.81Å
881R85.4Confident85.6Confident159 Ų15958.9 Ų58.960%0.632%0.316SS*.Hα-helixtrans-60.6-43.7179.6-175.1-163.366.2-164.3-5.1111.6E877 T878 L884 G885E877-R881 WeakPolarHBondContact O-CB 3.38Å; E877-R881 PolarHBondContact O-N 2.65Å; T878-R881 PolarHBondContact O-N 3.07Å; R881-L884 PolarHBondContact O-N 3.24Å; R881-G885 PolarHBondContact O-N 3.19Å
882D85.5Confident85.9Confident69 Ų6960.3 Ų60.337%0.36932%0.323SS..Hα-helixtrans-76.3-28.6-174.5-62.7-3000111.6T878 V879 V880 S886T878-D882 WeakPolarHBondContact O-CB 3.34Å; T878-D882 PolarHBondContact O-N 2.56Å; T878-D882 VanDerWaalsContact O-N 3.12Å; V879-D882 PolarHBondContact O-N 3.33Å; V880-D882 VanDerWaalsContact C-N 3.33Å; V880-D882 PolarHBondContact O-N 3.23Å; D882-S886 WeakPolarHBondContact O-CB 3.41Å; D882-S886 PolarHBondContact O-N 3.33Å
883L84.4Confident86.1Confident7 Ų755.8 Ų55.84%0.03731%0.306CS..Hα-helixtrans-65.7-50.9167.8-76.4170000112.3M863 V879 V880 G885 S886 A889 L893 P947M863-L883 HydrophobicContact CE-CD1 4.44Å; V879-L883 HydrophobicContact CG1-CD1 3.78Å; V879-L883 HydrophobicContact CG1-CG 4.21Å; V879-L883 WeakPolarHBondContact O-CB 3.17Å; V879-L883 WeakPolarHBondContact O-CG 3.43Å; V879-L883 PolarHBondContact O-N 3.06Å; V880-L883 PolarHBondContact O-N 2.86Å; L883-G885 PolarHBondContact O-N 3.04Å; L883-S886 PolarHBondContact O-N 2.8Å; L883-A889 HydrophobicContact CD2-CB 4.05Å; L883-L893 HydrophobicContact CD2-CD1 4.45Å; L883-P947 HydrophobicContact CD1-CG 3.96Å; L883-P947 HydrophobicContact CD2-CB 4.36Å; L883-P947 HydrophobicContact CD2-CG 3.98Å
884L83.8Confident86.3Confident77 Ų7755.9 Ų55.940%0.40331%0.309SS..Hα-helixtrans-65.2-28.2-179.6-68.2167.8000112.4P865 E868 L871 V880 R881P865-L884 WeakPolarHBondContact O-CD2 3.44Å; E868-L884 HydrophobicContact CG-CD1 4.12Å; L871-L884 HydrophobicContact CD1-CD2 4.4Å; V880-L884 HydrophobicContact CG1-CD1 3.8Å; V880-L884 WeakPolarHBondContact O-CG 3.18Å; V880-L884 PolarHBondContact O-N 2.81Å; R881-L884 PolarHBondContact O-N 3.24Å
885G78.1Confident86.7Confident70 Ų7059.8 Ų59.872%0.72233%0.327SS*.THydrogen-bonded Turntrans-83-10.6175.900000115.6R881 L883R881-G885 PolarHBondContact O-N 3.19Å; L883-G885 PolarHBondContact O-N 3.04Å
886S83.4Confident86.9Confident34 Ų3461 Ų6124%0.23833%0.332CS..  trans-11599-167.9-174.50000113.6D882 L883 Q888 A889 M890D882-S886 WeakPolarHBondContact O-CB 3.41Å; D882-S886 PolarHBondContact O-N 3.33Å; L883-S886 PolarHBondContact O-N 2.8Å; S886-Q888 PolarHBondContact O-N 3.31Å; S886-A889 WeakPolarHBondContact O-CB 3.33Å; S886-A889 PolarHBondContact O-N 3.13Å; S886-A889 PolarHBondContact OG-N 3.48Å; S886-M890 PolarHBondContact O-N 3.19Å
887A84.6Confident87.3Confident68 Ų6861.3 Ų61.356%0.56233%0.33SS*.Hα-helixtrans-56.7-34.4169.700000112.5A889 M890 T891A887-A889 VanDerWaalsContact C-N 3.33Å; A887-A889 PolarHBondContact O-N 3.33Å; A887-M890 HydrophobicContact CB-CE 4.34Å; A887-M890 PolarHBondContact O-N 3.16Å; A887-T891 PolarHBondContact O-N 3.35Å; A887-T891 PolarHBondContact O-OG1 3.46Å; A887-T891 VanDerWaalsContact O-OG1 3.12Å
888Q86.9Confident87.7Confident135 Ų13558.8 Ų58.863%0.63133%0.328SS*.Hα-helixtrans-63.2-37.4174.5-177.8177.6-13.500112.1S886 Q892S886-Q888 PolarHBondContact O-N 3.31Å; Q888-Q892 WeakPolarHBondContact O-CG 3.36Å; Q888-Q892 PolarHBondContact O-N 3.09Å; Q888-Q892 VanDerWaalsContact O-N 3.13Å
889A84.2Confident88.1Confident1 Ų158.8 Ų58.81%0.00832%0.322CS..Hα-helixtrans-65.1-44175.800000111.7L883 S886 A887 Q892 L893 L948L883-A889 HydrophobicContact CD2-CB 4.05Å; S886-A889 WeakPolarHBondContact O-CB 3.33Å; S886-A889 PolarHBondContact O-N 3.13Å; S886-A889 PolarHBondContact OG-N 3.48Å; A887-A889 VanDerWaalsContact C-N 3.33Å; A887-A889 PolarHBondContact O-N 3.33Å; A889-Q892 PolarHBondContact O-N 3.33Å; A889-L893 WeakPolarHBondContact O-CG 3.3Å; A889-L893 PolarHBondContact O-N 3Å; A889-L948 HydrophobicContact CB-CD1 4.15Å; A889-L948 HydrophobicContact CB-CG 4.28Å
890M83.3Confident88.4Confident73 Ų7358.6 Ų58.636%0.3632%0.321SS..Hα-helixtrans-58.8-48.9175.6-62-167.8-73.800111.6P865 S886 A887 Q892 L893 E894P865-M890 HydrophobicContact CB-CG 4.28Å; P865-M890 HydrophobicContact CB-SD 4.2Å; P865-M890 HydrophobicContact CG-CG 4.03Å; P865-M890 HydrophobicContact CG-SD 3.78Å; S886-M890 PolarHBondContact O-N 3.19Å; A887-M890 HydrophobicContact CB-CE 4.34Å; A887-M890 PolarHBondContact O-N 3.16Å; M890-Q892 VanDerWaalsContact C-N 3.27Å; M890-Q892 PolarHBondContact O-N 2.84Å; M890-L893 PolarHBondContact O-N 3.14Å; M890-L893 VanDerWaalsContact O-N 3.15Å; M890-E894 PolarHBondContact O-N 3.27Å
891T89.9Confident88.8Confident66 Ų6663.7 Ų63.741%0.40535%0.345SS..Hα-helixtrans-60-33.7177.5-53.40000113A887 Q895A887-T891 PolarHBondContact O-N 3.35Å; A887-T891 PolarHBondContact O-OG1 3.46Å; A887-T891 VanDerWaalsContact O-OG1 3.12Å; T891-Q895 VanDerWaalsContact O-CG 3.24Å; T891-Q895 WeakPolarHBondContact O-CG 3.4Å; T891-Q895 PolarHBondContact O-N 3.16Å
892Q90.6Very high89.3Confident32 Ų3259.4 Ų59.415%0.1533%0.331CS..Hα-helixtrans-73.9-36.1176.5-70.3-53.2-62.200113.1Q888 A889 M890 Q895 E896 L948 I951 R955Q888-Q892 WeakPolarHBondContact O-CG 3.36Å; Q888-Q892 PolarHBondContact O-N 3.09Å; Q888-Q892 VanDerWaalsContact O-N 3.13Å; A889-Q892 PolarHBondContact O-N 3.33Å; M890-Q892 VanDerWaalsContact C-N 3.27Å; M890-Q892 PolarHBondContact O-N 2.84Å; Q892-Q895 PolarHBondContact O-N 3.37Å; Q892-E896 PolarHBondContact O-N 3.32Å; Q892-L948 HydrophobicContact CB-CD2 3.52Å; Q892-L948 HydrophobicContact CG-CD2 3.71Å; Q892-I951 HydrophobicContact CB-CD1 4.1Å; Q892-R955 VanDerWaalsContact OE1-CZ 3.28Å
893L90.3Very high89.8Confident14 Ų1456.4 Ų56.47%0.07332%0.315CS..Hα-helixtrans-66.8-39.2175-72.4165.4000112.1M863 L883 A889 M890 E896 F897 P947 I951 S992M863-L893 HydrophobicContact CB-CD2 4.25Å; M863-L893 HydrophobicContact CG-CD1 4.44Å; M863-L893 HydrophobicContact CG-CD2 4.46Å; M863-L893 HydrophobicContact SD-CD1 3.84Å; M863-L893 HydrophobicContact SD-CD2 3.54Å; M863-L893 VanDerWaalsContact SD-CD2 3.54Å; M863-L893 HydrophobicContact SD-CG 4.35Å; L883-L893 HydrophobicContact CD2-CD1 4.45Å; A889-L893 WeakPolarHBondContact O-CG 3.3Å; A889-L893 PolarHBondContact O-N 3Å; M890-L893 PolarHBondContact O-N 3.14Å; M890-L893 VanDerWaalsContact O-N 3.15Å; L893-E896 PolarHBondContact O-N 3.43Å; L893-F897 PolarHBondContact O-N 2.67Å; L893-P947 HydrophobicContact CD2-CB 4.1Å; L893-I951 HydrophobicContact CD2-CD1 4.08Å; L893-I951 HydrophobicContact CG-CD1 4.44Å; L893-S992 WeakPolarHBondContact CD2-OG 3.47Å
894E91.5Very high90.3Very high131 Ų13156.7 Ų56.761%0.61232%0.316SS*.Hα-helixtrans-64.7-39.8173.2-69.3-179153.600111.9M890 F897 A898M890-E894 PolarHBondContact O-N 3.27Å; E894-F897 PolarHBondContact O-N 2.94Å; E894-A898 WeakPolarHBondContact O-CB 3.24Å; E894-A898 PolarHBondContact O-N 3.07Å
895Q93.2Very high90.8Very high90 Ų9060 Ų6042%0.42132%0.323SS..Hα-helixtrans-65.3-35.7174-74.7173.51000113T891 Q892 Q899T891-Q895 VanDerWaalsContact O-CG 3.24Å; T891-Q895 WeakPolarHBondContact O-CG 3.4Å; T891-Q895 PolarHBondContact O-N 3.16Å; Q892-Q895 PolarHBondContact O-N 3.37Å; Q895-Q899 PolarHBondContact O-N 2.71Å; Q895-Q899 VanDerWaalsContact O-N 3.14Å
896E94.9Very high91.5Very high27 Ų2758.2 Ų58.213%0.12630%0.298CS..Hα-helixtrans-63.2-48.5172.4-177.3-175.5-150.900110.9Q892 L893 A898 Q899 L900 I951 A991 S992Q892-E896 PolarHBondContact O-N 3.32Å; L893-E896 PolarHBondContact O-N 3.43Å; E896-A898 PolarHBondContact O-N 3.21Å; E896-Q899 PolarHBondContact O-N 2.76Å; E896-L900 HydrophobicContact CG-CD1 4.23Å; E896-L900 WeakPolarHBondContact O-CG 3.45Å; E896-L900 PolarHBondContact O-N 3Å; E896-L900 VanDerWaalsContact O-N 3.08Å; E896-I951 HydrophobicContact CB-CD1 4.16Å; E896-I951 HydrophobicContact CB-CG1 4.34Å; E896-I951 HydrophobicContact CG-CG1 4.45Å; E896-A991 VanDerWaalsContact OE1-CA 3.31Å; E896-A991 WeakPolarHBondContact OE1-CA 3.44Å; E896-S992 PolarHBondContact OE1-N 3.49Å; E896-S992 VanDerWaalsContact OE2-CB 3.23Å; E896-S992 WeakPolarHBondContact OE2-CB 3.32Å; E896-S992 PolarHBondContact OE2-OG 3.47Å
897F94.6Very high92Very high35 Ų3556.6 Ų56.615%0.15429%0.287CS..Hα-helixtrans-63.4-42.6179.6-175.7-107.1000112.6F857 E858 R862 L893 E894 Q899 L900 E901F857-F897 HydrophobicContact CD1-CE2 4.28Å; F857-F897 HydrophobicContact CD1-CZ 4.37Å; F857-F897 AromaticContact CE1-CE2 3.81Å; F857-F897 HydrophobicContact CE1-CE2 3.81Å; F857-F897 HydrophobicContact CE1-CZ 4.03Å; E858-F897 HydrophobicContact CB-CZ 4.45Å; E858-F897 HydrophobicContact CG-CZ 4.29Å; R862-F897 HydrophobicContact CB-CD2 3.78Å; R862-F897 HydrophobicContact CB-CE1 4.45Å; R862-F897 HydrophobicContact CB-CE2 3.63Å; R862-F897 HydrophobicContact CB-CG 4.26Å; R862-F897 HydrophobicContact CB-CZ 3.99Å; R862-F897 HydrophobicContact CG-CD1 4.34Å; R862-F897 HydrophobicContact CG-CD2 4.31Å; R862-F897 HydrophobicContact CG-CE1 4.42Å; R862-F897 HydrophobicContact CG-CE2 4.39Å; R862-F897 HydrophobicContact CG-CG 4.28Å; R862-F897 HydrophobicContact CG-CZ 4.44Å; L893-F897 PolarHBondContact O-N 2.67Å; E894-F897 PolarHBondContact O-N 2.94Å; F897-Q899 VanDerWaalsContact C-N 3.34Å; F897-Q899 PolarHBondContact O-N 2.93Å; F897-L900 PolarHBondContact O-N 3.29Å; F897-L900 VanDerWaalsContact O-N 3.13Å; F897-E901 PolarHBondContact O-N 2.74Å
898A95.8Very high92.4Very high55 Ų5554.8 Ų54.846%0.45527%0.265SS..Hα-helixtrans-61.6-39.117600000112.7E894 E896 L900 E901 E902E894-A898 WeakPolarHBondContact O-CB 3.24Å; E894-A898 PolarHBondContact O-N 3.07Å; E896-A898 PolarHBondContact O-N 3.21Å; A898-L900 VanDerWaalsContact C-N 3.34Å; A898-L900 PolarHBondContact O-N 2.82Å; A898-E901 PolarHBondContact O-N 3.35Å; A898-E902 PolarHBondContact O-N 3.39Å
899Q94.8Very high92.7Very high82 Ų8254.9 Ų54.938%0.38327%0.266SS..Hα-helixtrans-65-37.1173.9-178.464.170.600112Q895 E896 F897 E902 D903Q895-Q899 PolarHBondContact O-N 2.71Å; Q895-Q899 VanDerWaalsContact O-N 3.14Å; E896-Q899 PolarHBondContact O-N 2.76Å; F897-Q899 VanDerWaalsContact C-N 3.34Å; F897-Q899 PolarHBondContact O-N 2.93Å; Q899-E902 PolarHBondContact O-N 3.03Å; Q899-D903 PolarHBondContact NE2-OD1 2.98Å; Q899-D903 WeakPolarHBondContact O-CB 3.36Å; Q899-D903 PolarHBondContact O-N 2.64Å
900L95.5Very high93Very high5 Ų558.9 Ų58.93%0.02629%0.286CS..Hα-helixtrans-70.3-33.7177.4-69.2168.6000112.5F857 Y861 E896 F897 A898 R904 R987 A991F857-L900 HydrophobicContact CZ-CB 4.01Å; F857-L900 WeakPolarHBondContact CZ-O 3.35Å; Y861-L900 HydrophobicContact CD1-CD1 3.78Å; Y861-L900 HydrophobicContact CG-CD1 4.27Å; E896-L900 HydrophobicContact CG-CD1 4.23Å; E896-L900 WeakPolarHBondContact O-CG 3.45Å; E896-L900 PolarHBondContact O-N 3Å; E896-L900 VanDerWaalsContact O-N 3.08Å; F897-L900 PolarHBondContact O-N 3.29Å; F897-L900 VanDerWaalsContact O-N 3.13Å; A898-L900 VanDerWaalsContact C-N 3.34Å; A898-L900 PolarHBondContact O-N 2.82Å; L900-R904 VanDerWaalsContact O-CB 3.3Å; L900-R904 WeakPolarHBondContact O-CB 2.95Å; L900-R904 PolarHBondContact O-N 2.85Å; L900-R987 HydrophobicContact CD2-CB 3.87Å; L900-A991 HydrophobicContact CD1-CB 3.92Å
901E94.8Very high93.4Very high108 Ų10857.1 Ų57.151%0.50528%0.277SS..Hα-helixtrans-67.3-43.3172.6-176.6165.9-145.300111.5F857 F897 A898 R904 R905F857-E901 HydrophobicContact CE1-CB 4.36Å; F897-E901 PolarHBondContact O-N 2.74Å; A898-E901 PolarHBondContact O-N 3.35Å; E901-R904 PolarHBondContact O-N 2.97Å; E901-R905 PolarHBondContact O-N 3.39Å
902E95.3Very high93.2Very high68 Ų6858 Ų5832%0.31828%0.283SS..Hα-helixtrans-63.1-46.2173.8-174.656.6-139.600111.8A898 Q899 R904 R905 V906A898-E902 PolarHBondContact O-N 3.39Å; Q899-E902 PolarHBondContact O-N 3.03Å; E902-R904 VanDerWaalsContact C-N 3.27Å; E902-R904 PolarHBondContact O-N 2.93Å; E902-R905 WeakPolarHBondContact O-CA 3.27Å; E902-R905 WeakPolarHBondContact O-CB 3.44Å; E902-R905 PolarHBondContact O-N 3.14Å; E902-R905 IonicContact OE1-CZ 2.81Å; E902-R905 VanDerWaalsContact OE1-CZ 3.23Å; E902-R905 IonicContact OE1-NE 3.67Å; E902-R905 PolarHBondContact OE1-NE 2.9Å; E902-R905 IonicContact OE1-NH2 2.64Å; E902-R905 PolarHBondContact OE1-NH2 2.71Å; E902-R905 IonicContact OE2-CZ 2.84Å; E902-R905 IonicContact OE2-NE 3.94Å; E902-R905 PolarHBondContact OE2-NE 2.91Å; E902-R905 IonicContact OE2-NH1 2.73Å; E902-R905 IonicContact OE2-NH2 2.64Å; E902-R905 PolarHBondContact OE2-NH2 2.76Å; E902-V906 WeakPolarHBondContact O-CG2 3.46Å; E902-V906 PolarHBondContact O-N 3.17Å
903D95.6Very high92.9Very high6 Ų659.9 Ų59.93%0.03230%0.297CS..Hα-helixtrans-55.2-44.8174.3-76.25.4000111Q899 R905 V906 L907 C984 R987Q899-D903 PolarHBondContact NE2-OD1 2.98Å; Q899-D903 WeakPolarHBondContact O-CB 3.36Å; Q899-D903 PolarHBondContact O-N 2.64Å; D903-R905 VanDerWaalsContact C-N 3.33Å; D903-R905 PolarHBondContact O-N 2.98Å; D903-V906 PolarHBondContact O-N 3.49Å; D903-L907 WeakPolarHBondContact O-CB 3.45Å; D903-L907 VanDerWaalsContact O-CG 3.23Å; D903-L907 WeakPolarHBondContact O-CG 3.41Å; D903-L907 PolarHBondContact O-N 2.7Å; D903-C984 HydrophobicContact CB-CB 4.29Å; D903-R987 IonicContact OD1-CZ 3.82Å; D903-R987 IonicContact OD1-NE 3.23Å; D903-R987 IonicContact OD1-NH2 3.1Å; D903-R987 PolarHBondContact OD1-NH2 2.92Å; D903-R987 IonicContact OD2-CZ 3.7Å; D903-R987 IonicContact OD2-NE 3.81Å; D903-R987 PolarHBondContact OD2-NE 3.09Å; D903-R987 IonicContact OD2-NH2 2.74Å; D903-R987 PolarHBondContact OD2-NH2 2.68Å
904R94.7Very high92.6Very high13 Ų1359.4 Ų59.45%0.04930%0.296CS..Hα-helixtrans-64.8-35.1176.9178.9167.9173.8-101.42.6112S849 L852 N854 F857 L900 E901 E902 R908S849-R904 WeakPolarHBondContact O-CD 3.36Å; S849-R904 PolarHBondContact O-NE 3.14Å; L852-R904 PolarHBondContact O-NH2 3.37Å; N854-R904 PolarHBondContact OD1-NH1 3.26Å; N854-R904 PolarHBondContact OD1-NH2 3.29Å; F857-R904 HydrophobicContact CE2-CB 4.25Å; F857-R904 VanDerWaalsContact CE2-CD 3.4Å; F857-R904 HydrophobicContact CE2-CG 4.46Å; F857-R904 HydrophobicContact CZ-CB 4.3Å; L900-R904 VanDerWaalsContact O-CB 3.3Å; L900-R904 WeakPolarHBondContact O-CB 2.95Å; L900-R904 PolarHBondContact O-N 2.85Å; E901-R904 PolarHBondContact O-N 2.97Å; E902-R904 VanDerWaalsContact C-N 3.27Å; E902-R904 PolarHBondContact O-N 2.93Å; R904-R908 WeakPolarHBondContact O-CB 3.37Å; R904-R908 WeakPolarHBondContact O-CD 3.44Å; R904-R908 WeakPolarHBondContact O-CG 3.28Å; R904-R908 PolarHBondContact O-N 3.24Å; R904-R908 VanDerWaalsContact O-N 3.16Å
905R94.4Very high92.4Very high146 Ų14658.7 Ų58.755%0.55129%0.292SS*.Hα-helixtrans-65.5-48.1173.7-171.4177.476.2162.24.4111.6E901 E902 D903 R908 Q909E901-R905 PolarHBondContact O-N 3.39Å; E902-R905 WeakPolarHBondContact O-CA 3.27Å; E902-R905 WeakPolarHBondContact O-CB 3.44Å; E902-R905 PolarHBondContact O-N 3.14Å; E902-R905 IonicContact OE1-CZ 2.81Å; E902-R905 VanDerWaalsContact OE1-CZ 3.23Å; E902-R905 IonicContact OE1-NE 3.67Å; E902-R905 PolarHBondContact OE1-NE 2.9Å; E902-R905 IonicContact OE1-NH2 2.64Å; E902-R905 PolarHBondContact OE1-NH2 2.71Å; E902-R905 IonicContact OE2-CZ 2.84Å; E902-R905 IonicContact OE2-NE 3.94Å; E902-R905 PolarHBondContact OE2-NE 2.91Å; E902-R905 IonicContact OE2-NH1 2.73Å; E902-R905 IonicContact OE2-NH2 2.64Å; E902-R905 PolarHBondContact OE2-NH2 2.76Å; D903-R905 VanDerWaalsContact C-N 3.33Å; D903-R905 PolarHBondContact O-N 2.98Å; R905-R908 PolarHBondContact O-N 3.37Å; R905-Q909 PolarHBondContact O-N 3.45Å
906V94.2Very high92.2Very high33 Ų3355.3 Ų55.320%0.228%0.278CS..Hα-helixtrans-63.4-47.2178.2172.50000111.2E902 D903 R908 Q909 I910 L980E902-V906 WeakPolarHBondContact O-CG2 3.46Å; E902-V906 PolarHBondContact O-N 3.17Å; D903-V906 PolarHBondContact O-N 3.49Å; V906-R908 VanDerWaalsContact C-N 3.25Å; V906-R908 PolarHBondContact O-N 3.38Å; V906-Q909 WeakPolarHBondContact O-CB 3.27Å; V906-Q909 PolarHBondContact O-N 3.3Å; V906-I910 HydrophobicContact CG1-CD1 3.83Å; V906-I910 HydrophobicContact CG1-CG1 4.5Å; V906-I910 WeakPolarHBondContact O-CG1 3.33Å; V906-I910 PolarHBondContact O-N 3.49Å; V906-L980 HydrophobicContact CG1-CD2 4.24Å
907L93.5Very high92.1Very high1 Ų158.4 Ų58.41%0.00529%0.289CS..Hα-helixtrans-60.8-33.6177.4-69.6175000112.6L847 L850 D903 Q909 I910 F911 L981 C984L847-L907 HydrophobicContact CD1-CD1 4.39Å; L847-L907 HydrophobicContact CD1-CD2 4.09Å; L847-L907 HydrophobicContact CD2-CD1 4.42Å; L850-L907 HydrophobicContact CD1-CB 4Å; D903-L907 WeakPolarHBondContact O-CB 3.45Å; D903-L907 VanDerWaalsContact O-CG 3.23Å; D903-L907 WeakPolarHBondContact O-CG 3.41Å; D903-L907 PolarHBondContact O-N 2.7Å; L907-Q909 VanDerWaalsContact C-N 3.31Å; L907-Q909 PolarHBondContact O-N 3.23Å; L907-I910 PolarHBondContact O-N 3.48Å; L907-F911 HydrophobicContact CD2-CE2 4.33Å; L907-F911 PolarHBondContact O-N 3.49Å; L907-L981 HydrophobicContact CD2-CD1 3.54Å; L907-C984 HydrophobicContact CD1-CB 4.02Å; L907-C984 HydrophobicContact CD2-CB 4.24Å; L907-C984 HydrophobicContact CG-CB 4.27Å
908R92.9Very high92Very high29 Ų2957.2 Ų57.211%0.10928%0.284CS..Hα-helixtrans-70.2-24.9175.5-76.3171.3171.3-132.7-14.4113.6L850 L852 R904 R905 V906 I1264 G1268 Y1270L850-R908 HydrophobicContact CD1-CG 3.86Å; L850-R908 PolarHBondContact O-NE 3.45Å; L850-R908 PolarHBondContact O-NH2 3.5Å; L852-R908 PolarHBondContact O-NH2 2.84Å; R904-R908 WeakPolarHBondContact O-CB 3.37Å; R904-R908 WeakPolarHBondContact O-CD 3.44Å; R904-R908 WeakPolarHBondContact O-CG 3.28Å; R904-R908 PolarHBondContact O-N 3.24Å; R904-R908 VanDerWaalsContact O-N 3.16Å; R905-R908 PolarHBondContact O-N 3.37Å; V906-R908 VanDerWaalsContact C-N 3.25Å; V906-R908 PolarHBondContact O-N 3.38Å; R908-I1264 HydrophobicContact CB-CD1 4.15Å; R908-I1264 HydrophobicContact CG-CD1 4.16Å; R908-G1268 VanDerWaalsContact CZ-O 3.28Å; R908-G1268 PolarHBondContact NH1-O 3.04Å; R908-G1268 PolarHBondContact NH2-O 3.27Å; R908-Y1270 WeakPolarHBondContact CG-OH 3.42Å
909Q91.9Very high91.9Very high137 Ų13756.2 Ų56.264%0.6427%0.273SS*.Hα-helixtrans-79.2-38.2171.9-66.4171.8-4.800111.8R905 V906 L907R905-Q909 PolarHBondContact O-N 3.45Å; V906-Q909 WeakPolarHBondContact O-CB 3.27Å; V906-Q909 PolarHBondContact O-N 3.3Å; L907-Q909 VanDerWaalsContact C-N 3.31Å; L907-Q909 PolarHBondContact O-N 3.23Å
910I91.9Very high91.8Very high85 Ų8552.9 Ų52.944%0.43626%0.257SS..Hα-helixtrans-71.2-41177.9-62.3168.9000111.3V906 L907 P912 L980V906-I910 HydrophobicContact CG1-CD1 3.83Å; V906-I910 HydrophobicContact CG1-CG1 4.5Å; V906-I910 WeakPolarHBondContact O-CG1 3.33Å; V906-I910 PolarHBondContact O-N 3.49Å; L907-I910 PolarHBondContact O-N 3.48Å; I910-P912 WeakPolarHBondContact O-CD 3.48Å; I910-L980 HydrophobicContact CD1-CD2 4.48Å
911F90.6Very high91.7Very high37 Ų3752.6 Ų52.616%0.16226%0.256CS..  trans-115.670.7-178.3-58.9-77.3000111.7L847 L850 L907 T913 G914 V918 L981 Y1270L847-F911 HydrophobicContact CD1-CD2 4.09Å; L847-F911 HydrophobicContact CD1-CE2 3.89Å; L850-F911 HydrophobicContact CD2-CB 4.08Å; L907-F911 HydrophobicContact CD2-CE2 4.33Å; L907-F911 PolarHBondContact O-N 3.49Å; F911-T913 PolarHBondContact O-N 3.03Å; F911-G914 PolarHBondContact O-N 3.34Å; F911-V918 HydrophobicContact CE1-CG1 4.11Å; F911-V918 HydrophobicContact CE2-CG1 4.17Å; F911-V918 HydrophobicContact CZ-CG1 3.64Å; F911-L981 HydrophobicContact CE2-CD1 3.88Å; F911-L981 HydrophobicContact CZ-CD1 4.36Å; F911-L981 HydrophobicContact CZ-CD2 4.36Å; F911-Y1270 PolarHBondContact O-OH 3.06Å
912P86Confident91.4Very high84 Ų8448 Ų4855%0.54524%0.235SC..THydrogen-bonded Turntrans-66.3-21.1-177.328-36000113.3I910 G914I910-P912 WeakPolarHBondContact O-CD 3.48Å; P912-G914 VanDerWaalsContact C-N 3.28Å; P912-G914 PolarHBondContact O-N 2.74Å
913T84.2Confident91.3Very high71 Ų7146.2 Ų46.244%0.43623%0.228SC..THydrogen-bonded Turntrans-74-15.2172.950.50000113.6F911 E915F911-T913 PolarHBondContact O-N 3.03Å; T913-E915 VanDerWaalsContact C-N 3.35Å
914G84.8Confident91.2Very high4 Ų446 Ų464%0.04123%0.227CC..  trans77.217.9-17200000114.3K851 F911 P912 S916 Y1270K851-G914 WeakPolarHBondContact CE-O 3.27Å; F911-G914 PolarHBondContact O-N 3.34Å; P912-G914 VanDerWaalsContact C-N 3.28Å; P912-G914 PolarHBondContact O-N 2.74Å; G914-S916 PolarHBondContact O-N 3.23Å; G914-S916 VanDerWaalsContact O-N 3.16Å; G914-Y1270 VanDerWaalsContact CA-CE1 3.44Å
915E86.2Confident91.1Very high117 Ų11749.9 Ų49.955%0.54725%0.246SC..  trans-64.5111.5174.9-174.8164.7-15900110.9L850 T913L850-E915 VanDerWaalsContact CD2-O 3.23Å; L850-E915 WeakPolarHBondContact CD2-O 3.39Å; T913-E915 VanDerWaalsContact C-N 3.35Å
916S90.3Very high90.9Very high18 Ų1843.7 Ų43.713%0.12622%0.222CC..  trans-98.1-8.6-174.263.40000114.2T846 L847 K851 G914T846-S916 CarbonylContact C-O 3.52Å; T846-S916 VanDerWaalsContact CA-O 3.27Å; T846-S916 WeakPolarHBondContact CA-O 2.97Å; L847-S916 PolarHBondContact N-O 3.41Å; K851-S916 WeakPolarHBondContact CE-OG 3.12Å; K851-S916 PolarHBondContact NZ-OG 3.17Å; G914-S916 PolarHBondContact O-N 3.23Å; G914-S916 VanDerWaalsContact O-N 3.16Å
917R91.4Very high90.8Very high92 Ų9242.3 Ų42.335%0.34721%0.214SC..EExtended strand (participates in β ladder)trans-95.3105.3-175.8178.6172174.6170.2-3108.2Y844 E1898Y844-R917 HydrophobicContact CD1-CG 3.74Å; Y844-R917 HydrophobicContact CE1-CG 4.42Å; Y844-R917 HydrophobicContact CG-CG 4.39Å; R917-E1898 PolarHBondContact NH1-O 3.36Å; R917-E1898 PolarHBondContact NH1-OXT 3.33Å
918V92.1Very high90.8Very high10 Ų1042.3 Ų42.36%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-114.2164.7-176.7-650000110.7Y844 Q845 L847 F911 L920 L981Y844-V918 CarbonylContact C-O 3.25Å; Y844-V918 WeakPolarHBondContact CA-O 3.32Å; Q845-V918 PolarHBondContact N-O 3.08Å; Q845-V918 PolarHBondContact O-N 3.44Å; L847-V918 HydrophobicContact CD1-CG1 3.73Å; L847-V918 HydrophobicContact CD1-CG2 4.46Å; L847-V918 HydrophobicContact CD2-CG2 4.09Å; L847-V918 HydrophobicContact CG-CG1 4.09Å; L847-V918 HydrophobicContact CG-CG2 3.95Å; F911-V918 HydrophobicContact CE1-CG1 4.11Å; F911-V918 HydrophobicContact CE2-CG1 4.17Å; F911-V918 HydrophobicContact CZ-CG1 3.64Å; V918-L920 HydrophobicContact CG2-CD1 3.65Å; V918-L920 HydrophobicContact CG2-CG 4.02Å; V918-L981 HydrophobicContact CG1-CD2 4.49Å
919V93.8Very high90.7Very high34 Ų3443.8 Ų43.821%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-106.3115.3175.9171.30000109N497 V842 E843 Y844N497-V919 VanDerWaalsContact ND2-CG1 3.26Å; N497-V919 WeakPolarHBondContact ND2-CG1 3.48Å; V842-V919 HydrophobicContact CB-CG1 3.67Å; V842-V919 HydrophobicContact CG2-CG1 3.43Å; V842-V919 VanDerWaalsContact CG2-CG1 3.43Å; E843-V919 CarbonylContact O-C 3.6Å; E843-V919 WeakPolarHBondContact O-CA 3.28Å; Y844-V919 HydrophobicContact CD1-CG2 3.73Å; Y844-V919 HydrophobicContact CE1-CG2 3.62Å
920L94.1Very high90.7Very high12 Ų1237.8 Ų37.86%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-147151.6-173.4-75.6175.5000111.8E843 Q845 V918 L981 L982 L985E843-L920 PolarHBondContact N-O 3.28Å; E843-L920 PolarHBondContact O-N 2.72Å; Q845-L920 PolarHBondContact NE2-O 2.99Å; V918-L920 HydrophobicContact CG2-CD1 3.65Å; V918-L920 HydrophobicContact CG2-CG 4.02Å; L920-L981 HydrophobicContact CD1-CG 4.22Å; L920-L981 HydrophobicContact CD2-CD2 4.17Å; L920-L981 HydrophobicContact CD2-CG 4.16Å; L920-L982 HydrophobicContact CD2-CB 4.31Å; L920-L985 HydrophobicContact CD1-CB 4.06Å; L920-L985 HydrophobicContact CD1-CD2 3.51Å; L920-L985 HydrophobicContact CD1-CG 4.39Å
921P92.7Very high90.6Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-72.2165174.935.6-37.8000110.8L837 V842 Q845 L982 F1017 A1020L837-P921 HydrophobicContact CD1-CB 4.29Å; L837-P921 HydrophobicContact CD1-CG 3.61Å; V842-P921 HydrophobicContact CG1-CB 4.3Å; Q845-P921 PolarHBondContact NE2-O 2.72Å; P921-L982 HydrophobicContact CG-CD1 4.38Å; P921-L982 HydrophobicContact CG-CD2 4.1Å; P921-F1017 HydrophobicContact CG-CD2 4.2Å; P921-A1020 HydrophobicContact CB-CB 3.75Å
922C89.7Confident90.6Very high10 Ų1034.3 Ų34.37%0.06817%0.174CC..SBendtrans56.187.6173.9-52.10000113.5Q845 L924 I927 R1016 F1017Q845-C922 PolarHBondContact NE2-O 2.98Å; Q845-C922 VanDerWaalsContact NE2-O 3.14Å; Q845-C922 PolarHBondContact OE1-O 3.21Å; C922-L924 HydrophobicContact CB-CD2 4.34Å; C922-L924 WeakPolarHBondContact O-CD2 3.24Å; C922-L924 WeakPolarHBondContact O-CG 3.33Å; C922-L924 PolarHBondContact O-N 3.27Å; C922-I927 HydrophobicContact CB-CD1 4.08Å; C922-R1016 VanDerWaalsContact SG-C 3.57Å; C922-R1016 WeakPolarHBondContact SG-CB 3.42Å; C922-F1017 PolarHBondContact SG-N 3.08Å; C922-F1017 VanDerWaalsContact SG-N 3.36Å
923N92.9Very high90.7Very high31 Ų3132.3 Ų32.317%0.16616%0.157CC..  trans-61.294.9177-172.6-35.3000112.1E843 E925 R926 I927E843-N923 WeakPolarHBondContact OE1-CB 3.4Å; E843-N923 WeakPolarHBondContact OE2-CB 3.05Å; E843-N923 PolarHBondContact OE2-ND2 2.88Å; N923-E925 PolarHBondContact O-N 2.78Å; N923-R926 HydrophobicContact CB-CB 4.16Å; N923-R926 PolarHBondContact O-N 3.33Å; N923-R926 WeakPolarHBondContact OD1-CB 3.32Å; N923-R926 PolarHBondContact OD1-N 3.43Å; N923-I927 VanDerWaalsContact O-CG1 3.29Å; N923-I927 WeakPolarHBondContact O-CG1 3.28Å; N923-I927 PolarHBondContact O-N 3.45Å
924L93.2Very high91Very high1 Ų132 Ų321%0.00515%0.152CC..Hα-helixtrans-66.3-40.8-166.7-61.7-171.6000112.6Q845 C922 R926 I927 I928 L985 I986 T989 I1013Q845-L924 VanDerWaalsContact OE1-N 3.08Å; C922-L924 HydrophobicContact CB-CD2 4.34Å; C922-L924 WeakPolarHBondContact O-CD2 3.24Å; C922-L924 WeakPolarHBondContact O-CG 3.33Å; C922-L924 PolarHBondContact O-N 3.27Å; L924-R926 VanDerWaalsContact C-N 3.31Å; L924-R926 PolarHBondContact O-N 3.32Å; L924-I927 PolarHBondContact O-N 2.85Å; L924-I928 WeakPolarHBondContact O-CB 3.5Å; L924-I928 WeakPolarHBondContact O-CD1 3.34Å; L924-I928 VanDerWaalsContact O-CG1 3.22Å; L924-I928 WeakPolarHBondContact O-CG1 3.28Å; L924-I928 PolarHBondContact O-N 3.2Å; L924-L985 HydrophobicContact CD1-CD2 4.23Å; L924-L985 HydrophobicContact CD1-CG 3.87Å; L924-L985 HydrophobicContact CG-CD2 4.47Å; L924-I986 HydrophobicContact CD1-CB 4.49Å; L924-I986 HydrophobicContact CD1-CG1 3.89Å; L924-T989 HydrophobicContact CB-CG2 4.07Å; L924-T989 HydrophobicContact CD1-CG2 4.29Å; L924-I1013 HydrophobicContact CD2-CD1 3.77Å; L924-I1013 HydrophobicContact CD2-CG1 3.88Å; L924-I1013 HydrophobicContact CD2-CG2 4.4Å
925E91.9Very high91.3Very high95 Ų9534.2 Ų34.244%0.44416%0.16SC..Hα-helixtrans-63.8-39.3-179.8-59.8-167.3129.600111.1N923 W929N923-E925 PolarHBondContact O-N 2.78Å; E925-W929 WeakPolarHBondContact O-CB 3.35Å; E925-W929 PolarHBondContact O-N 3.3Å
926R91.4Very high91.4Very high17 Ų1735.7 Ų35.76%0.06417%0.167CC..Hα-helixtrans-68.8-40.8174.9-177.5156.156.296.6-8.1112.8E600 E843 N923 L924 W929 N930E600-R926 VanDerWaalsContact CG-NH1 3.34Å; E600-R926 WeakPolarHBondContact OE1-CD 3.34Å; E600-R926 VanDerWaalsContact OE1-CG 3.29Å; E600-R926 WeakPolarHBondContact OE1-CG 3.33Å; E600-R926 IonicContact OE1-CZ 2.63Å; E600-R926 IonicContact OE1-NE 2.63Å; E600-R926 IonicContact OE1-NH1 2.97Å; E600-R926 PolarHBondContact OE1-NH1 3.03Å; E843-R926 IonicContact OE1-CZ 3.94Å; E843-R926 IonicContact OE1-NH2 2.75Å; E843-R926 PolarHBondContact OE1-NH2 3.18Å; E843-R926 IonicContact OE2-CZ 2.92Å; E843-R926 IonicContact OE2-NE 3.81Å; E843-R926 IonicContact OE2-NH2 3.34Å; E843-R926 PolarHBondContact OE2-NH2 3.42Å; N923-R926 HydrophobicContact CB-CB 4.16Å; N923-R926 PolarHBondContact O-N 3.33Å; N923-R926 WeakPolarHBondContact OD1-CB 3.32Å; N923-R926 PolarHBondContact OD1-N 3.43Å; L924-R926 VanDerWaalsContact C-N 3.31Å; L924-R926 PolarHBondContact O-N 3.32Å; R926-W929 PolarHBondContact O-N 3.18Å; R926-N930 WeakPolarHBondContact O-CB 3.5Å; R926-N930 PolarHBondContact O-N 3.06Å; R926-N930 PolarHBondContact O-ND2 3.42Å; R926-N930 PolarHBondContact O-OD1 3.29Å
927I92.1Very high91.2Very high4 Ų436.2 Ų36.22%0.02117%0.169CC..Hα-helixtrans-66.1-39.2176.3-58.7161000110.7C922 N923 L924 N930 A931 W1008 L1009 E1012 I1013C922-I927 HydrophobicContact CB-CD1 4.08Å; N923-I927 VanDerWaalsContact O-CG1 3.29Å; N923-I927 WeakPolarHBondContact O-CG1 3.28Å; N923-I927 PolarHBondContact O-N 3.45Å; L924-I927 PolarHBondContact O-N 2.85Å; I927-N930 PolarHBondContact O-N 3.22Å; I927-A931 PolarHBondContact O-N 3.11Å; I927-W1008 HydrophobicContact CG2-CH2 4.32Å; I927-W1008 HydrophobicContact CG2-CZ3 3.98Å; I927-L1009 HydrophobicContact CB-CD1 4.19Å; I927-L1009 HydrophobicContact CG2-CD1 3.54Å; I927-E1012 HydrophobicContact CG2-CB 4.21Å; I927-E1012 HydrophobicContact CG2-CG 3.79Å; I927-I1013 HydrophobicContact CD1-CG1 4.29Å
928I92.9Very high90.9Very high1 Ų136 Ų361%0.00518%0.175CC..Hα-helixtrans-63.6-43174.3-68.5162.8000111.3L924 N930 A931 Q932 T989 L990 Y999 L1009L924-I928 WeakPolarHBondContact O-CB 3.5Å; L924-I928 WeakPolarHBondContact O-CD1 3.34Å; L924-I928 VanDerWaalsContact O-CG1 3.22Å; L924-I928 WeakPolarHBondContact O-CG1 3.28Å; L924-I928 PolarHBondContact O-N 3.2Å; I928-N930 VanDerWaalsContact C-N 3.35Å; I928-N930 PolarHBondContact O-N 3.01Å; I928-A931 WeakPolarHBondContact O-CB 3.31Å; I928-A931 PolarHBondContact O-N 2.89Å; I928-Q932 WeakPolarHBondContact O-CG 3.23Å; I928-Q932 PolarHBondContact O-N 3.05Å; I928-T989 HydrophobicContact CD1-CG2 3.56Å; I928-L990 HydrophobicContact CD1-CD2 3.89Å; I928-L990 HydrophobicContact CG1-CD2 4.4Å; I928-Y999 HydrophobicContact CD1-CE2 4.09Å; I928-Y999 HydrophobicContact CG2-CD1 3.43Å; I928-Y999 VanDerWaalsContact CG2-CD1 3.43Å; I928-Y999 HydrophobicContact CG2-CD2 4.2Å; I928-Y999 HydrophobicContact CG2-CE1 3.78Å; I928-Y999 HydrophobicContact CG2-CE2 4.5Å; I928-Y999 HydrophobicContact CG2-CG 3.65Å; I928-L1009 HydrophobicContact CG1-CD1 3.9Å; I928-L1009 HydrophobicContact CG1-CD2 3.79Å
929W91Very high90.3Very high60 Ų6040 Ų4023%0.22720%0.203CC..Hα-helixtrans-63.5-41.7176.3-169.219.9000111.7N567 L568 E572 E925 R926 A931 Q932 K933N567-W929 HydrophobicContact CB-CD2 3.88Å; N567-W929 HydrophobicContact CB-CE3 3.8Å; N567-W929 HydrophobicContact CB-CH2 4.33Å; N567-W929 HydrophobicContact CB-CZ2 4.38Å; N567-W929 HydrophobicContact CB-CZ3 4.05Å; L568-W929 VanDerWaalsContact C-CZ3 3.45Å; L568-W929 VanDerWaalsContact O-CH2 3.24Å; L568-W929 WeakPolarHBondContact O-CH2 3.49Å; E572-W929 HydrophobicContact CG-CZ2 4.14Å; E925-W929 WeakPolarHBondContact O-CB 3.35Å; E925-W929 PolarHBondContact O-N 3.3Å; R926-W929 PolarHBondContact O-N 3.18Å; W929-A931 VanDerWaalsContact C-N 3.33Å; W929-A931 PolarHBondContact O-N 3.11Å; W929-Q932 PolarHBondContact O-N 3.44Å; W929-K933 WeakPolarHBondContact O-CG 3.5Å; W929-K933 PolarHBondContact O-N 3.33Å
930N90.7Very high89.8Confident11 Ų1147.1 Ų47.16%0.05923%0.232CC..Hα-helixtrans-59.7-42.7172.9-68-17.3000111.2N567 E600 R926 I927 I928 K933 I934 W1008N567-N930 PolarHBondContact ND2-OD1 3.07Å; E600-N930 PolarHBondContact OE1-ND2 2.66Å; R926-N930 WeakPolarHBondContact O-CB 3.5Å; R926-N930 PolarHBondContact O-N 3.06Å; R926-N930 PolarHBondContact O-ND2 3.42Å; R926-N930 PolarHBondContact O-OD1 3.29Å; I927-N930 PolarHBondContact O-N 3.22Å; I928-N930 VanDerWaalsContact C-N 3.35Å; I928-N930 PolarHBondContact O-N 3.01Å; N930-K933 PolarHBondContact O-N 3.45Å; N930-I934 HydrophobicContact CB-CD1 4.5Å; N930-I934 WeakPolarHBondContact O-CB 3.35Å; N930-I934 WeakPolarHBondContact O-CD1 3.47Å; N930-I934 WeakPolarHBondContact O-CG1 3.47Å; N930-I934 PolarHBondContact O-N 3.33Å; N930-W1008 HydrophobicContact CB-CH2 4.31Å
931A91.1Very high89.3Confident0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-59.4-47.9174.400000111.9I927 I928 W929 K933 I934 F935 L1001 W1008I927-A931 PolarHBondContact O-N 3.11Å; I928-A931 WeakPolarHBondContact O-CB 3.31Å; I928-A931 PolarHBondContact O-N 2.89Å; W929-A931 VanDerWaalsContact C-N 3.33Å; W929-A931 PolarHBondContact O-N 3.11Å; A931-K933 VanDerWaalsContact C-N 3.27Å; A931-K933 PolarHBondContact O-N 3.33Å; A931-I934 PolarHBondContact O-N 3.45Å; A931-F935 WeakPolarHBondContact O-CD2 3.49Å; A931-F935 PolarHBondContact O-N 3.15Å; A931-L1001 HydrophobicContact CB-CD2 4.47Å; A931-W1008 HydrophobicContact CB-CE3 3.71Å; A931-W1008 HydrophobicContact CB-CZ3 3.7Å
932Q90.5Very high89.1Confident48 Ų4853.5 Ų53.522%0.22427%0.269CS..Hα-helixtrans-57.4-40.2176.7-70.9178.4-37.100112.4I928 W929 H936 V937 Y999 L1001I928-Q932 WeakPolarHBondContact O-CG 3.23Å; I928-Q932 PolarHBondContact O-N 3.05Å; W929-Q932 PolarHBondContact O-N 3.44Å; Q932-H936 CarbonylContact O-C 3.57Å; Q932-H936 WeakPolarHBondContact O-CA 3.28Å; Q932-H936 PolarHBondContact O-N 2.86Å; Q932-H936 VanDerWaalsContact O-N 3.16Å; Q932-V937 HydrophobicContact CB-CB 4.18Å; Q932-V937 HydrophobicContact CG-CB 4.25Å; Q932-V937 HydrophobicContact CG-CG1 4.48Å; Q932-V937 PolarHBondContact O-N 3.04Å; Q932-Y999 PolarHBondContact NE2-O 3.47Å; Q932-L1001 HydrophobicContact CG-CD2 3.83Å
933K88.7Confident89.1Confident43 Ų4353.1 Ų53.119%0.18727%0.266CS..Hα-helixtrans-75.2-40.4-178.9-68.1-68177.9-1790112.8E572 H573 W929 N930 A931 H936E572-K933 VanDerWaalsContact OE1-CE 3.24Å; E572-K933 WeakPolarHBondContact OE1-CE 3.36Å; E572-K933 IonicContact OE1-NZ 3.03Å; E572-K933 PolarHBondContact OE1-NZ 3.4Å; E572-K933 IonicContact OE2-NZ 2.75Å; E572-K933 PolarHBondContact OE2-NZ 3.19Å; H573-K933 PolarHBondContact CE1-O 3.11Å; W929-K933 WeakPolarHBondContact O-CG 3.5Å; W929-K933 PolarHBondContact O-N 3.33Å; N930-K933 PolarHBondContact O-N 3.45Å; A931-K933 VanDerWaalsContact C-N 3.27Å; A931-K933 PolarHBondContact O-N 3.33Å; K933-H936 PolarHBondContact O-CE1 3.45Å; K933-H936 PolarHBondContact O-ND1 3.25Å
934I89.4Confident89Confident63 Ų6355.1 Ų55.132%0.32328%0.277SS..Hα-helixtrans-65.4-48.5178.3-70.6163.9000111.3N930 A931 H936 W1008N930-I934 HydrophobicContact CB-CD1 4.5Å; N930-I934 WeakPolarHBondContact O-CB 3.35Å; N930-I934 WeakPolarHBondContact O-CD1 3.47Å; N930-I934 WeakPolarHBondContact O-CG1 3.47Å; N930-I934 PolarHBondContact O-N 3.33Å; A931-I934 PolarHBondContact O-N 3.45Å; I934-H936 VanDerWaalsContact C-N 3.3Å; I934-H936 PolarHBondContact O-N 2.85Å; I934-W1008 HydrophobicContact CD1-CH2 3.76Å; I934-W1008 HydrophobicContact CD1-CZ2 3.67Å; I934-W1008 HydrophobicContact CD1-CZ3 4.4Å
935F90.7Very high88.9Confident51 Ų5155.1 Ų55.122%0.22428%0.277CS..THydrogen-bonded Turntrans-91.510.9-177.9-63-83000113.5A931 V937 E1004 W1008A931-F935 WeakPolarHBondContact O-CD2 3.49Å; A931-F935 PolarHBondContact O-N 3.15Å; F935-V937 HydrophobicContact CB-CG2 4.14Å; F935-V937 PolarHBondContact O-N 2.87Å; F935-E1004 HydrophobicContact CD1-CG 4.13Å; F935-E1004 HydrophobicContact CE1-CB 4.44Å; F935-E1004 HydrophobicContact CE1-CG 3.64Å; F935-E1004 HydrophobicContact CZ-CG 4.37Å; F935-W1008 HydrophobicContact CE2-CB 3.64Å; F935-W1008 AromaticContact CE2-CD2 3.95Å; F935-W1008 HydrophobicContact CE2-CD2 3.95Å; F935-W1008 HydrophobicContact CE2-CE3 4.29Å; F935-W1008 AromaticContact CE2-CG 3.64Å; F935-W1008 HydrophobicContact CE2-CG 3.64Å; F935-W1008 HydrophobicContact CZ-CB 3.74Å; F935-W1008 AromaticContact CZ-CG 3.87Å; F935-W1008 HydrophobicContact CZ-CG 3.87Å
936H89.4Confident88.8Confident149 Ų14952.9 Ų52.969%0.6927%0.267SS*.THydrogen-bonded Turntrans49.440.8179.1-56.3-32.4000114.1Q932 K933 I934 N938Q932-H936 CarbonylContact O-C 3.57Å; Q932-H936 WeakPolarHBondContact O-CA 3.28Å; Q932-H936 PolarHBondContact O-N 2.86Å; Q932-H936 VanDerWaalsContact O-N 3.16Å; K933-H936 PolarHBondContact O-CE1 3.45Å; K933-H936 PolarHBondContact O-ND1 3.25Å; I934-H936 VanDerWaalsContact C-N 3.3Å; I934-H936 PolarHBondContact O-N 2.85Å; H936-N938 PolarHBondContact O-N 2.91Å
937V86.2Confident88.8Confident29 Ų2952.1 Ų52.118%0.17626%0.264CS..  trans-61.8116.3-176177.50000110.3Q932 F935 K1000 L1001Q932-V937 HydrophobicContact CB-CB 4.18Å; Q932-V937 HydrophobicContact CG-CB 4.25Å; Q932-V937 HydrophobicContact CG-CG1 4.48Å; Q932-V937 PolarHBondContact O-N 3.04Å; F935-V937 HydrophobicContact CB-CG2 4.14Å; F935-V937 PolarHBondContact O-N 2.87Å; V937-K1000 HydrophobicContact CG1-CB 4.39Å; V937-K1000 WeakPolarHBondContact CG1-O 3.3Å; V937-L1001 HydrophobicContact CG2-CD2 4.49Å
938N84.5Confident88.7Confident88 Ų8853.3 Ų53.347%0.47127%0.27SS..  trans-90.9119.5-178.1-174.7-14.3000110.4H936 K940 S941H936-N938 PolarHBondContact O-N 2.91Å; N938-K940 PolarHBondContact O-N 3.3Å; N938-K940 WeakPolarHBondContact OD1-CB 3.37Å; N938-K940 PolarHBondContact OD1-N 3.44Å; N938-S941 PolarHBondContact O-N 3.23Å; N938-S941 PolarHBondContact O-OG 2.96Å
939S79.7Confident88.7Confident92 Ų9256.2 Ų56.264%0.64328%0.281SS*.THydrogen-bonded Turntrans-60.8-11.6177.359.30000114.3K1000S939-K1000 WeakPolarHBondContact O-CD 3.26Å; S939-K1000 WeakPolarHBondContact O-CE 3.26Å; S939-K1000 PolarHBondContact O-NZ 2.83Å
940K83.5Confident88.9Confident185 Ų18553.5 Ų53.580%0.80427%0.271SS*.THydrogen-bonded Turntrans-93.8-15.6174.2-60.3-177.4-179.6177.80114.8N938N938-K940 PolarHBondContact O-N 3.3Å; N938-K940 WeakPolarHBondContact OD1-CB 3.37Å; N938-K940 PolarHBondContact OD1-N 3.44Å
941S84.1Confident89Confident52 Ų5253.2 Ų53.236%0.36427%0.27SS..SBendtrans-76.4166176.653.10000112.2N938 K1000N938-S941 PolarHBondContact O-N 3.23Å; N938-S941 PolarHBondContact O-OG 2.96Å; S941-K1000 PolarHBondContact O-NZ 2.82Å
942L88.1Confident89.2Confident93 Ų9358.4 Ų58.449%0.48729%0.294SS..PPolyproline II helixtrans-79.4154.4163.4-58173.2000109K873 T874K873-L942 VanDerWaalsContact C-CD2 3.44Å; K873-L942 WeakPolarHBondContact O-CD2 3.3Å; T874-L942 CarbonylContact O-C 3.57Å; T874-L942 VanDerWaalsContact O-CA 3.28Å; T874-L942 WeakPolarHBondContact O-CA 3.42Å
943T89.9Confident89.4Confident2 Ų256.1 Ų56.11%0.01228%0.283CS..BIsolated β-bridgetrans-99.3144.1171173.30000111.5T874 Y875 S876 L945 A996 L1001T874-T943 HydrophobicContact CG2-CG2 4.29Å; T874-T943 WeakPolarHBondContact O-CG2 3.38Å; T874-T943 PolarHBondContact O-N 3.35Å; Y875-T943 CarbonylContact C-O 3.57Å; Y875-T943 WeakPolarHBondContact CA-O 3.16Å; Y875-T943 HydrophobicContact CD1-CG2 3.82Å; Y875-T943 HydrophobicContact CE1-CG2 3.99Å; S876-T943 PolarHBondContact N-O 2.83Å; T943-L945 VanDerWaalsContact OG1-CB 3.26Å; T943-L945 WeakPolarHBondContact OG1-CB 3.47Å; T943-L945 PolarHBondContact OG1-N 3.33Å; T943-A996 HydrophobicContact CG2-CB 4.01Å; T943-L1001 WeakPolarHBondContact CB-O 3.38Å; T943-L1001 PolarHBondContact OG1-O 2.55Å
944D89.9Confident89.8Confident73 Ų7354.6 Ų54.639%0.3928%0.277SS..  trans-89.5-11.1170.266.6-47.4000113.1H946 N1002 T1003D944-H946 PolarHBondContact O-N 3.46Å; D944-N1002 WeakPolarHBondContact OD1-CA 3.47Å; D944-N1002 WeakPolarHBondContact OD1-CB 3.49Å; D944-T1003 VanDerWaalsContact CG-OG1 3.32Å; D944-T1003 PolarHBondContact OD1-N 3.44Å; D944-T1003 VanDerWaalsContact OD1-N 3.07Å; D944-T1003 WeakPolarHBondContact OD2-CB 3.35Å; D944-T1003 PolarHBondContact OD2-N 3.29Å; D944-T1003 PolarHBondContact OD2-OG1 3.34Å
945L91Very high90Very high2 Ų256.2 Ų56.21%0.0128%0.279CS..  trans-67.699.2-172.4178.159.1000111.2Y875 T943 V950 L995 L1001 F1006Y875-L945 WeakPolarHBondContact CE1-O 3.46Å; T943-L945 VanDerWaalsContact OG1-CB 3.26Å; T943-L945 WeakPolarHBondContact OG1-CB 3.47Å; T943-L945 PolarHBondContact OG1-N 3.33Å; L945-V950 HydrophobicContact CD1-CG2 3.86Å; L945-V950 HydrophobicContact CD2-CG2 3.75Å; L945-V950 HydrophobicContact CG-CG2 3.64Å; L945-L995 HydrophobicContact CD2-CB 4.27Å; L945-L995 HydrophobicContact CD2-CD1 4.3Å; L945-L1001 WeakPolarHBondContact CB-O 3.36Å; L945-L1001 HydrophobicContact CD2-CB 4.21Å; L945-F1006 HydrophobicContact CD1-CB 3.85Å; L945-F1006 HydrophobicContact CD1-CD1 3.65Å; L945-F1006 HydrophobicContact CD1-CE1 4.41Å; L945-F1006 HydrophobicContact CD1-CG 3.82Å; L945-F1006 HydrophobicContact CD2-CB 3.9Å; L945-F1006 HydrophobicContact CD2-CD2 4.3Å; L945-F1006 HydrophobicContact CD2-CG 4.03Å
946H91Very high90.3Very high48 Ų4857.6 Ų57.622%0.22229%0.287CS..  trans-65.3128.6-177.9-170-83.6000111.7V879 D944 L948 R949 V950V879-H946 HydrophobicContact CG2-CB 4.34Å; D944-H946 PolarHBondContact O-N 3.46Å; H946-L948 VanDerWaalsContact C-N 3.3Å; H946-L948 PolarHBondContact ND1-N 3.46Å; H946-L948 PolarHBondContact O-N 2.91Å; H946-L948 VanDerWaalsContact O-N 3.13Å; H946-R949 WeakPolarHBondContact O-CB 3.31Å; H946-R949 PolarHBondContact O-N 2.92Å; H946-V950 PolarHBondContact O-N 2.86Å
947P90.7Very high90.5Very high1 Ų150.7 Ų50.71%0.00626%0.255CS..Hα-helixtrans-55.5-35.3-174.6-31.537.7000115.8M863 Y875 L883 L893 R949 V950 I951M863-P947 HydrophobicContact CE-CG 4.09Å; M863-P947 HydrophobicContact SD-CG 4.37Å; Y875-P947 HydrophobicContact CE1-CG 3.9Å; L883-P947 HydrophobicContact CD1-CG 3.96Å; L883-P947 HydrophobicContact CD2-CB 4.36Å; L883-P947 HydrophobicContact CD2-CG 3.98Å; L893-P947 HydrophobicContact CD2-CB 4.1Å; P947-R949 VanDerWaalsContact C-N 3.31Å; P947-R949 PolarHBondContact O-N 3.42Å; P947-V950 WeakPolarHBondContact O-CB 3.38Å; P947-V950 PolarHBondContact O-N 3.41Å; P947-V950 VanDerWaalsContact O-N 3.17Å; P947-I951 PolarHBondContact O-N 2.7Å; P947-I951 VanDerWaalsContact O-N 3.1Å
948L90.4Very high90.9Very high29 Ų2950.7 Ų50.715%0.15226%0.255CS..Hα-helixtrans-60.8-37.7173.6-71.6178.3000112.7A889 Q892 H946 V950 I951 E952A889-L948 HydrophobicContact CB-CD1 4.15Å; A889-L948 HydrophobicContact CB-CG 4.28Å; Q892-L948 HydrophobicContact CB-CD2 3.52Å; Q892-L948 HydrophobicContact CG-CD2 3.71Å; H946-L948 VanDerWaalsContact C-N 3.3Å; H946-L948 PolarHBondContact ND1-N 3.46Å; H946-L948 PolarHBondContact O-N 2.91Å; H946-L948 VanDerWaalsContact O-N 3.13Å; L948-V950 VanDerWaalsContact C-N 3.26Å; L948-V950 PolarHBondContact O-N 3.12Å; L948-I951 PolarHBondContact O-N 2.56Å; L948-E952 WeakPolarHBondContact O-CB 3.13Å; L948-E952 VanDerWaalsContact O-CG 3.31Å; L948-E952 WeakPolarHBondContact O-CG 3.46Å; L948-E952 PolarHBondContact O-N 2.84Å
949R92.8Very high91.2Very high62 Ų6254.3 Ų54.323%0.23427%0.266CS..Hα-helixtrans-65.3-32.9177.4178.158.8-163139.70.3111.3H946 P947 G953 E956 F1006 E1007H946-R949 WeakPolarHBondContact O-CB 3.31Å; H946-R949 PolarHBondContact O-N 2.92Å; P947-R949 VanDerWaalsContact C-N 3.31Å; P947-R949 PolarHBondContact O-N 3.42Å; R949-G953 PolarHBondContact O-N 2.64Å; R949-E956 IonicContact NH1-OE2 2.98Å; R949-F1006 HydrophobicContact CG-CE1 4.4Å; R949-E1007 IonicContact CZ-OE1 3.43Å; R949-E1007 VanDerWaalsContact CZ-OE1 3.26Å; R949-E1007 IonicContact CZ-OE2 3.76Å; R949-E1007 IonicContact NE-OE1 3.72Å; R949-E1007 PolarHBondContact NE-OE1 3Å; R949-E1007 IonicContact NE-OE2 2.71Å; R949-E1007 VanDerWaalsContact NH2-CD 3.27Å; R949-E1007 IonicContact NH2-OE1 3.68Å; R949-E1007 PolarHBondContact NH2-OE1 3.41Å; R949-E1007 IonicContact NH2-OE2 3.82Å; R949-E1007 PolarHBondContact NH2-OE2 3.33Å
950V94.1Very high91.9Very high2 Ų254 Ų541%0.01225%0.254CS..Hα-helixtrans-63.9-52.9172.3-179.50000111L945 H946 P947 L948 E952 G953 V954 L990 L995 F1006L945-V950 HydrophobicContact CD1-CG2 3.86Å; L945-V950 HydrophobicContact CD2-CG2 3.75Å; L945-V950 HydrophobicContact CG-CG2 3.64Å; H946-V950 PolarHBondContact O-N 2.86Å; P947-V950 WeakPolarHBondContact O-CB 3.38Å; P947-V950 PolarHBondContact O-N 3.41Å; P947-V950 VanDerWaalsContact O-N 3.17Å; L948-V950 VanDerWaalsContact C-N 3.26Å; L948-V950 PolarHBondContact O-N 3.12Å; V950-E952 VanDerWaalsContact C-N 3.31Å; V950-E952 PolarHBondContact O-N 3.45Å; V950-G953 PolarHBondContact O-N 3.06Å; V950-V954 HydrophobicContact CG1-CG2 4.29Å; V950-V954 WeakPolarHBondContact O-CB 3.24Å; V950-V954 WeakPolarHBondContact O-CG2 3.47Å; V950-V954 PolarHBondContact O-N 3.33Å; V950-L990 WeakPolarHBondContact CG1-O 3.36Å; V950-L995 HydrophobicContact CG1-CD1 3.64Å; V950-L995 HydrophobicContact CG1-CG 4.48Å; V950-L995 HydrophobicContact CG2-CD1 4.06Å; V950-F1006 HydrophobicContact CB-CZ 4.25Å; V950-F1006 HydrophobicContact CG1-CE2 4.25Å; V950-F1006 HydrophobicContact CG1-CZ 4.15Å; V950-F1006 HydrophobicContact CG2-CE1 4.49Å; V950-F1006 HydrophobicContact CG2-CZ 4.33Å
951I94.2Very high92.5Very high6 Ų645.3 Ų45.33%0.03122%0.216CC..Hα-helixtrans-60-42.7-179-65.7169.3000110.9Q892 L893 E896 P947 L948 R955Q892-I951 HydrophobicContact CB-CD1 4.1Å; L893-I951 HydrophobicContact CD2-CD1 4.08Å; L893-I951 HydrophobicContact CG-CD1 4.44Å; E896-I951 HydrophobicContact CB-CD1 4.16Å; E896-I951 HydrophobicContact CB-CG1 4.34Å; E896-I951 HydrophobicContact CG-CG1 4.45Å; P947-I951 PolarHBondContact O-N 2.7Å; P947-I951 VanDerWaalsContact O-N 3.1Å; L948-I951 PolarHBondContact O-N 2.56Å; I951-R955 VanDerWaalsContact CG2-CZ 3.46Å; I951-R955 VanDerWaalsContact O-CB 3.31Å; I951-R955 WeakPolarHBondContact O-CB 3.45Å; I951-R955 WeakPolarHBondContact O-CD 3.3Å; I951-R955 WeakPolarHBondContact O-CG 3.35Å; I951-R955 PolarHBondContact O-N 2.97Å; I951-R955 VanDerWaalsContact O-N 3.08Å
952E94.5Very high92.9Very high108 Ų10845.2 Ų45.251%0.50521%0.213SC..Hα-helixtrans-66.7-48.4176.4-72172.8175.100111.9L948 V950 V954 R955 E956L948-E952 WeakPolarHBondContact O-CB 3.13Å; L948-E952 VanDerWaalsContact O-CG 3.31Å; L948-E952 WeakPolarHBondContact O-CG 3.46Å; L948-E952 PolarHBondContact O-N 2.84Å; V950-E952 VanDerWaalsContact C-N 3.31Å; V950-E952 PolarHBondContact O-N 3.45Å; E952-V954 PolarHBondContact O-N 2.89Å; E952-R955 CarbonylContact O-C 3.6Å; E952-R955 PolarHBondContact O-N 3.01Å; E952-E956 WeakPolarHBondContact O-CB 3.28Å; E952-E956 PolarHBondContact O-N 2.99Å
953G95.3Very high93.2Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-62.3-39.8179.500000113.3R949 V950 E956 L957R949-G953 PolarHBondContact O-N 2.64Å; V950-G953 PolarHBondContact O-N 3.06Å; G953-E956 PolarHBondContact O-N 2.67Å; G953-L957 VanDerWaalsContact O-CB 3.31Å; G953-L957 WeakPolarHBondContact O-CB 3.17Å; G953-L957 PolarHBondContact O-N 3.41Å
954V95.8Very high93.3Very high11 Ų1142.1 Ų42.17%0.06720%0.197CC..Hα-helixtrans-67.4-42.3173.9173.50000111.1V950 E952 E956 L957 T958 I986 R987 L990V950-V954 HydrophobicContact CG1-CG2 4.29Å; V950-V954 WeakPolarHBondContact O-CB 3.24Å; V950-V954 WeakPolarHBondContact O-CG2 3.47Å; V950-V954 PolarHBondContact O-N 3.33Å; E952-V954 PolarHBondContact O-N 2.89Å; V954-E956 VanDerWaalsContact C-N 3.28Å; V954-E956 PolarHBondContact O-N 3.07Å; V954-L957 PolarHBondContact O-N 2.81Å; V954-T958 HydrophobicContact CG1-CG2 4.46Å; V954-T958 WeakPolarHBondContact O-CG2 3.45Å; V954-T958 PolarHBondContact O-N 3.03Å; V954-T958 PolarHBondContact O-OG1 3.38Å; V954-T958 VanDerWaalsContact O-OG1 3.11Å; V954-I986 HydrophobicContact CG1-CG2 4.22Å; V954-R987 HydrophobicContact CG1-CG 4.05Å; V954-L990 HydrophobicContact CG2-CB 3.8Å; V954-L990 HydrophobicContact CG2-CD1 4.2Å
955R94.9Very high93.4Very high97 Ų9747 Ų4737%0.36622%0.215SC..Hα-helixtrans-69.2-22.7175.5-73.7171.8177.8173.12113.8Q892 I951 E952 K959Q892-R955 VanDerWaalsContact OE1-CZ 3.28Å; I951-R955 VanDerWaalsContact CG2-CZ 3.46Å; I951-R955 VanDerWaalsContact O-CB 3.31Å; I951-R955 WeakPolarHBondContact O-CB 3.45Å; I951-R955 WeakPolarHBondContact O-CD 3.3Å; I951-R955 WeakPolarHBondContact O-CG 3.35Å; I951-R955 PolarHBondContact O-N 2.97Å; I951-R955 VanDerWaalsContact O-N 3.08Å; E952-R955 CarbonylContact O-C 3.6Å; E952-R955 PolarHBondContact O-N 3.01Å; R955-K959 WeakPolarHBondContact O-CD 3.2Å; R955-K959 WeakPolarHBondContact O-CG 3.39Å
956E95.6Very high93.3Very high81 Ų8148.8 Ų48.838%0.37923%0.233SC..Hα-helixtrans-78.6-51.4172.6-165.6-163.6144.900109.9R949 E952 G953 V954 T958 K959 K960R949-E956 IonicContact NH1-OE2 2.98Å; E952-E956 WeakPolarHBondContact O-CB 3.28Å; E952-E956 PolarHBondContact O-N 2.99Å; G953-E956 PolarHBondContact O-N 2.67Å; V954-E956 VanDerWaalsContact C-N 3.28Å; V954-E956 PolarHBondContact O-N 3.07Å; E956-T958 PolarHBondContact O-N 3.21Å; E956-K959 WeakPolarHBondContact O-CB 3.4Å; E956-K959 PolarHBondContact O-N 3.14Å; E956-K960 PolarHBondContact O-N 2.87Å; E956-K960 WeakPolarHBondContact OE1-CE 3.45Å; E956-K960 IonicContact OE1-NZ 2.72Å; E956-K960 PolarHBondContact OE1-NZ 2.83Å
957L95Very high93.3Very high4 Ų455.2 Ų55.22%0.02126%0.263CS..Hα-helixtrans-53.7-52.7176.4177.964.3000111.2G953 V954 K959 K960 L961 I986 L990 L1010 I1013 E1014G953-L957 VanDerWaalsContact O-CB 3.31Å; G953-L957 WeakPolarHBondContact O-CB 3.17Å; G953-L957 PolarHBondContact O-N 3.41Å; V954-L957 PolarHBondContact O-N 2.81Å; L957-K959 PolarHBondContact O-N 2.69Å; L957-K960 WeakPolarHBondContact O-CA 3.38Å; L957-K960 PolarHBondContact O-N 3.38Å; L957-L961 HydrophobicContact CD1-CD2 3.94Å; L957-L961 HydrophobicContact CD1-CG 4.36Å; L957-L961 HydrophobicContact CG-CD1 4.43Å; L957-L961 HydrophobicContact CG-CD2 4.5Å; L957-L961 HydrophobicContact CG-CG 4.44Å; L957-L961 WeakPolarHBondContact O-CG 3.43Å; L957-L961 PolarHBondContact O-N 2.94Å; L957-I986 HydrophobicContact CD2-CG2 4.3Å; L957-L990 HydrophobicContact CD2-CD1 4.48Å; L957-L1010 HydrophobicContact CB-CD2 4.19Å; L957-L1010 HydrophobicContact CD2-CD2 3.74Å; L957-I1013 HydrophobicContact CD1-CG2 4.37Å; L957-I1013 HydrophobicContact CD2-CB 4.26Å; L957-I1013 HydrophobicContact CD2-CD1 4.33Å; L957-I1013 HydrophobicContact CD2-CG2 3.97Å; L957-E1014 HydrophobicContact CD1-CB 3.94Å
958T93.1Very high93.4Very high29 Ų2959 Ų5918%0.17828%0.284CS..Hα-helixtrans-63.3-13.5-178.558.70000114V954 E956 N983 I986V954-T958 HydrophobicContact CG1-CG2 4.46Å; V954-T958 WeakPolarHBondContact O-CG2 3.45Å; V954-T958 PolarHBondContact O-N 3.03Å; V954-T958 PolarHBondContact O-OG1 3.38Å; V954-T958 VanDerWaalsContact O-OG1 3.11Å; E956-T958 PolarHBondContact O-N 3.21Å; T958-N983 WeakPolarHBondContact CG2-OD1 3.44Å; T958-I986 HydrophobicContact CG2-CG2 4.37Å
959K92.4Very high93.7Very high163 Ų16367 Ų6771%0.70931%0.312SS*.Hα-helixtrans-87.1-27.4169.4-68.5172.2-175.1176.40113.2R955 E956 L957 V962R955-K959 WeakPolarHBondContact O-CD 3.2Å; R955-K959 WeakPolarHBondContact O-CG 3.39Å; E956-K959 WeakPolarHBondContact O-CB 3.4Å; E956-K959 PolarHBondContact O-N 3.14Å; L957-K959 PolarHBondContact O-N 2.69Å; K959-V962 WeakPolarHBondContact O-CG2 3.23Å
960K94.3Very high93.7Very high87 Ų8770.5 Ų70.538%0.37833%0.333SS..Hα-helixtrans-79.6-21.6177.9-64.1-177.1-170.2166.80113.5E956 L957 V962 E1014E956-K960 PolarHBondContact O-N 2.87Å; E956-K960 WeakPolarHBondContact OE1-CE 3.45Å; E956-K960 IonicContact OE1-NZ 2.72Å; E956-K960 PolarHBondContact OE1-NZ 2.83Å; L957-K960 WeakPolarHBondContact O-CA 3.38Å; L957-K960 PolarHBondContact O-N 3.38Å; K960-V962 PolarHBondContact O-N 3.28Å; K960-E1014 VanDerWaalsContact CD-CD 3.46Å; K960-E1014 WeakPolarHBondContact CD-OE1 3.04Å; K960-E1014 WeakPolarHBondContact CD-OE2 3.3Å; K960-E1014 IonicContact NZ-OE2 3.51Å; K960-E1014 PolarHBondContact NZ-OE2 3.13Å
961L94.7Very high93.6Very high1 Ų171.4 Ų71.41%0.00534%0.34CS..  trans-72.854.4178.4-55.6-176.5000113L957 Q975 T979 L982 I986 F1017L957-L961 HydrophobicContact CD1-CD2 3.94Å; L957-L961 HydrophobicContact CD1-CG 4.36Å; L957-L961 HydrophobicContact CG-CD1 4.43Å; L957-L961 HydrophobicContact CG-CD2 4.5Å; L957-L961 HydrophobicContact CG-CG 4.44Å; L957-L961 WeakPolarHBondContact O-CG 3.43Å; L957-L961 PolarHBondContact O-N 2.94Å; L961-Q975 PolarHBondContact O-NE2 3.08Å; L961-T979 WeakPolarHBondContact O-CG2 3.46Å; L961-L982 HydrophobicContact CD1-CD2 4.23Å; L961-I986 HydrophobicContact CD1-CD1 3.41Å; L961-I986 VanDerWaalsContact CD1-CD1 3.41Å; L961-F1017 VanDerWaalsContact C-CE1 3.42Å; L961-F1017 VanDerWaalsContact CA-CE1 3.47Å; L961-F1017 HydrophobicContact CB-CD1 3.93Å; L961-F1017 HydrophobicContact CB-CE1 3.63Å; L961-F1017 HydrophobicContact CB-CE2 4.5Å; L961-F1017 HydrophobicContact CB-CG 4.47Å; L961-F1017 HydrophobicContact CB-CZ 3.91Å; L961-F1017 HydrophobicContact CD2-CB 3.79Å; L961-F1017 HydrophobicContact CD2-CD1 3.54Å; L961-F1017 HydrophobicContact CD2-CD2 4.4Å; L961-F1017 HydrophobicContact CD2-CE1 4.18Å; L961-F1017 HydrophobicContact CD2-CG 3.65Å; L961-F1017 HydrophobicContact CG-CD1 4.27Å; L961-F1017 HydrophobicContact CG-CE1 4.44Å; L961-F1017 HydrophobicContact CG-CG 4.48Å
962V93.5Very high93.6Very high51 Ų5176.9 Ų76.931%0.30937%0.366SS..  trans-80.6124.8-174.8-1770000111.9K959 K960 V964 K965 Q1021K959-V962 WeakPolarHBondContact O-CG2 3.23Å; K960-V962 PolarHBondContact O-N 3.28Å; V962-V964 WeakPolarHBondContact CG1-O 3.48Å; V962-K965 HydrophobicContact CG1-CG 3.97Å; V962-Q1021 PolarHBondContact O-NE2 3.15Å
963I93.3Very high93.6Very high22 Ų2276.6 Ų76.611%0.11336%0.364CS..SBendtrans-108.1-46.2169.1-50.5-174.5000109.5D835 L837 A978 T979 F1017D835-I963 WeakPolarHBondContact O-CD1 3.32Å; L837-I963 HydrophobicContact CD2-CD1 4.34Å; I963-A978 HydrophobicContact CD1-CB 4.38Å; I963-T979 HydrophobicContact CD1-CG2 3.77Å; I963-T979 HydrophobicContact CG1-CG2 3.95Å; I963-F1017 HydrophobicContact CD1-CE2 4.33Å; I963-F1017 HydrophobicContact CD1-CZ 3.78Å; I963-F1017 HydrophobicContact CG1-CE1 4.21Å; I963-F1017 HydrophobicContact CG1-CZ 3.58Å
964V93.5Very high93.5Very high8 Ų878.3 Ų78.35%0.04838%0.378CS..SBendtrans-96108.1177.6-172.20000109.7V962 G966 A974 Q975V962-V964 WeakPolarHBondContact CG1-O 3.48Å; V964-G966 PolarHBondContact O-N 2.95Å; V964-A974 HydrophobicContact CG1-CB 4.26Å; V964-A974 HydrophobicContact CG2-CB 4.11Å; V964-Q975 HydrophobicContact CB-CB 4.01Å; V964-Q975 HydrophobicContact CG2-CB 4.46Å
965K90.5Very high93.4Very high176 Ų17679.1 Ų79.177%0.76538%0.381SS*.  trans-85.3110.4177.2-63.1176-175.6174.40109.9V962V962-K965 HydrophobicContact CG1-CG 3.97Å
966G89Confident93.3Very high38 Ų3879.4 Ų79.439%0.39239%0.39SS..  trans173.1144.7171.900000112.1V964 S971V964-G966 PolarHBondContact O-N 2.95Å; G966-S971 WeakPolarHBondContact O-CB 3.29Å
967E91.4Very high93.3Very high184 Ų18480.1 Ų80.186%0.8640%0.396SS*.SBendtrans-92-10.2178.9-64.4-175.8169.700113Q972E967-Q972 PolarHBondContact O-NE2 2.84Å
968D93.7Very high93.2Very high81 Ų8180.9 Ų80.943%0.43340%0.403SS..SBendtrans-70.9157.8177.872.6-85.2000112.1I970 S971 Q972D968-I970 VanDerWaalsContact C-N 3.26Å; D968-I970 PolarHBondContact O-N 3.12Å; D968-I970 WeakPolarHBondContact OD2-CA 3.39Å; D968-I970 WeakPolarHBondContact OD2-CB 3.48Å; D968-I970 PolarHBondContact OD2-N 3.32Å; D968-S971 PolarHBondContact O-N 2.9Å; D968-S971 WeakPolarHBondContact OD1-CB 3.29Å; D968-S971 PolarHBondContact OD1-OG 3.39Å; D968-S971 PolarHBondContact OD2-N 3.2Å; D968-Q972 WeakPolarHBondContact O-CG 3.44Å; D968-Q972 PolarHBondContact O-N 3.39Å
969R95.3Very high93.3Very high196 Ų19679.7 Ų79.774%0.7440%0.396SS*.Hα-helixtrans-55.7-38-177.2177.1179.7163.1179.9-3.9113.2Q972 E973R969-Q972 PolarHBondContact O-N 2.89Å; R969-E973 IonicContact NE-OE2 2.78Å; R969-E973 IonicContact NH2-OE2 2.69Å; R969-E973 WeakPolarHBondContact O-CB 3.43Å; R969-E973 PolarHBondContact O-N 2.83Å
970I93.7Very high93.4Very high135 Ų13574.2 Ų74.269%0.69237%0.374SS*.Hα-helixtrans-72.8-41.1-175.9-56.6174.6000109.5D968 E973 A974D968-I970 VanDerWaalsContact C-N 3.26Å; D968-I970 PolarHBondContact O-N 3.12Å; D968-I970 WeakPolarHBondContact OD2-CA 3.39Å; D968-I970 WeakPolarHBondContact OD2-CB 3.48Å; D968-I970 PolarHBondContact OD2-N 3.32Å; I970-E973 PolarHBondContact O-N 3.29Å; I970-A974 VanDerWaalsContact O-CB 3.25Å; I970-A974 WeakPolarHBondContact O-CB 3.46Å; I970-A974 PolarHBondContact O-N 3.46Å
971S92.9Very high93.4Very high22 Ų2272.4 Ų72.415%0.15437%0.368CS..Hα-helixtrans-62.1-41.9172.7-66.30000112.6G966 D968 A974 Q975G966-S971 WeakPolarHBondContact O-CB 3.29Å; D968-S971 PolarHBondContact O-N 2.9Å; D968-S971 WeakPolarHBondContact OD1-CB 3.29Å; D968-S971 PolarHBondContact OD1-OG 3.39Å; D968-S971 PolarHBondContact OD2-N 3.2Å; S971-A974 PolarHBondContact O-N 2.88Å; S971-Q975 VanDerWaalsContact O-CB 3.28Å; S971-Q975 WeakPolarHBondContact O-CB 3.22Å; S971-Q975 PolarHBondContact O-N 3.48Å
972Q92.7Very high93.3Very high121 Ų12172.9 Ų72.957%0.56537%0.37SS*.Hα-helixtrans-63.2-44.4175.7-67.9-177.931.300112.3E967 D968 R969 Q975 L976E967-Q972 PolarHBondContact O-NE2 2.84Å; D968-Q972 WeakPolarHBondContact O-CG 3.44Å; D968-Q972 PolarHBondContact O-N 3.39Å; R969-Q972 PolarHBondContact O-N 2.89Å; Q972-Q975 PolarHBondContact O-N 2.86Å; Q972-L976 WeakPolarHBondContact O-CB 3.38Å; Q972-L976 PolarHBondContact O-N 3.28Å
973E94.3Very high93.4Very high101 Ų10171.1 Ų71.147%0.47236%0.359SS..Hα-helixtrans-66-42.1178.4-163172.3140.200111.2R969 I970 L976 N977R969-E973 IonicContact NE-OE2 2.78Å; R969-E973 IonicContact NH2-OE2 2.69Å; R969-E973 WeakPolarHBondContact O-CB 3.43Å; R969-E973 PolarHBondContact O-N 2.83Å; I970-E973 PolarHBondContact O-N 3.29Å; E973-L976 PolarHBondContact O-N 2.99Å; E973-N977 VanDerWaalsContact O-CG 3.3Å; E973-N977 PolarHBondContact O-N 3.22Å; E973-N977 PolarHBondContact O-ND2 3.45Å
974A93.6Very high93.5Very high36 Ų3670.1 Ų70.130%0.29836%0.355SS..Hα-helixtrans-66.8-36.2174.500000113.3V964 I970 S971 A978V964-A974 HydrophobicContact CG1-CB 4.26Å; V964-A974 HydrophobicContact CG2-CB 4.11Å; I970-A974 VanDerWaalsContact O-CB 3.25Å; I970-A974 WeakPolarHBondContact O-CB 3.46Å; I970-A974 PolarHBondContact O-N 3.46Å; S971-A974 PolarHBondContact O-N 2.88Å; A974-A978 VanDerWaalsContact O-CB 3.28Å; A974-A978 WeakPolarHBondContact O-CB 3.34Å; A974-A978 PolarHBondContact O-N 2.98Å
975Q94.6Very high93.6Very high28 Ų2869.9 Ų69.913%0.13135%0.353CS..Hα-helixtrans-63.5-46173.317254.128.100111.5L961 V964 S971 Q972 T979L961-Q975 PolarHBondContact O-NE2 3.08Å; V964-Q975 HydrophobicContact CB-CB 4.01Å; V964-Q975 HydrophobicContact CG2-CB 4.46Å; S971-Q975 VanDerWaalsContact O-CB 3.28Å; S971-Q975 WeakPolarHBondContact O-CB 3.22Å; S971-Q975 PolarHBondContact O-N 3.48Å; Q972-Q975 PolarHBondContact O-N 2.86Å; Q975-T979 PolarHBondContact O-N 3.01Å; Q975-T979 PolarHBondContact O-OG1 3.33Å
976L93.4Very high93.8Very high103 Ų10361.5 Ų61.554%0.53932%0.317SS..Hα-helixtrans-60.6-46.6178.7-176.6151.3000110.6Q972 E973 T979 L980Q972-L976 WeakPolarHBondContact O-CB 3.38Å; Q972-L976 PolarHBondContact O-N 3.28Å; E973-L976 PolarHBondContact O-N 2.99Å; L976-T979 PolarHBondContact O-N 2.93Å; L976-L980 WeakPolarHBondContact O-CA 3.36Å; L976-L980 WeakPolarHBondContact O-CB 3.42Å; L976-L980 PolarHBondContact O-N 3.43Å
977N94Very high94.1Very high97 Ų9762.1 Ų62.152%0.51931%0.307SS..Hα-helixtrans-65.8-46.4179.4-69.5-26.6000112.5E973 T979 L980E973-N977 VanDerWaalsContact O-CG 3.3Å; E973-N977 PolarHBondContact O-N 3.22Å; E973-N977 PolarHBondContact O-ND2 3.45Å; N977-T979 PolarHBondContact O-N 2.96Å; N977-L980 WeakPolarHBondContact O-CB 3.25Å; N977-L980 PolarHBondContact O-N 3.19Å
978A93.4Very high94.3Very high20 Ų2053.4 Ų53.417%0.16527%0.266CS..Hα-helixtrans-63.7-25.9-179.700000113.5I963 A974I963-A978 HydrophobicContact CD1-CB 4.38Å; A974-A978 VanDerWaalsContact O-CB 3.28Å; A974-A978 WeakPolarHBondContact O-CB 3.34Å; A974-A978 PolarHBondContact O-N 2.98Å
979T94.8Very high94.3Very high4 Ų449.6 Ų49.63%0.02525%0.246CC..Hα-helixtrans-105.8-1.4178.956.30000114.6L961 I963 Q975 L976 N977 L981 L982 N983 F1017L961-T979 WeakPolarHBondContact O-CG2 3.46Å; I963-T979 HydrophobicContact CD1-CG2 3.77Å; I963-T979 HydrophobicContact CG1-CG2 3.95Å; Q975-T979 PolarHBondContact O-N 3.01Å; Q975-T979 PolarHBondContact O-OG1 3.33Å; L976-T979 PolarHBondContact O-N 2.93Å; N977-T979 PolarHBondContact O-N 2.96Å; T979-L981 PolarHBondContact O-N 3.16Å; T979-L982 PolarHBondContact O-N 2.84Å; T979-N983 WeakPolarHBondContact CB-ND2 3.5Å; T979-N983 WeakPolarHBondContact O-CB 3.24Å; T979-N983 VanDerWaalsContact O-CG 3.22Å; T979-N983 PolarHBondContact O-N 2.83Å; T979-N983 PolarHBondContact O-ND2 2.9Å; T979-N983 VanDerWaalsContact O-ND2 3.16Å; T979-N983 PolarHBondContact OG1-ND2 2.85Å; T979-F1017 HydrophobicContact CG2-CZ 4.37Å
980L94.5Very high94.3Very high48 Ų4840.3 Ų40.325%0.25121%0.211SC..Hα-helixtrans-51.6-54.3-172.1179.860.4000113V906 I910 L976 N977 L982 N983 C984V906-L980 HydrophobicContact CG1-CD2 4.24Å; I910-L980 HydrophobicContact CD1-CD2 4.48Å; L976-L980 WeakPolarHBondContact O-CA 3.36Å; L976-L980 WeakPolarHBondContact O-CB 3.42Å; L976-L980 PolarHBondContact O-N 3.43Å; N977-L980 WeakPolarHBondContact O-CB 3.25Å; N977-L980 PolarHBondContact O-N 3.19Å; L980-L982 PolarHBondContact O-N 3.29Å; L980-N983 PolarHBondContact O-N 3.23Å; L980-C984 PolarHBondContact O-N 3.45Å; L980-C984 PolarHBondContact O-SG 2.81Å
981L94Very high94.4Very high49 Ų4934 Ų3426%0.25718%0.179SC..Hα-helixtrans-64.6-39.9-176-176.359.3000112.4L847 L907 F911 V918 L920 T979 L985L847-L981 HydrophobicContact CD1-CD1 4.21Å; L847-L981 HydrophobicContact CD2-CD1 4.22Å; L907-L981 HydrophobicContact CD2-CD1 3.54Å; F911-L981 HydrophobicContact CE2-CD1 3.88Å; F911-L981 HydrophobicContact CZ-CD1 4.36Å; F911-L981 HydrophobicContact CZ-CD2 4.36Å; V918-L981 HydrophobicContact CG1-CD2 4.49Å; L920-L981 HydrophobicContact CD1-CG 4.22Å; L920-L981 HydrophobicContact CD2-CD2 4.17Å; L920-L981 HydrophobicContact CD2-CG 4.16Å; T979-L981 PolarHBondContact O-N 3.16Å; L981-L985 PolarHBondContact O-N 3.44Å; L981-L985 VanDerWaalsContact O-N 3.12Å
982L94.3Very high94.4Very high10 Ų1033 Ų335%0.05217%0.172CC..Hα-helixtrans-67.7-42.3175.7-179.762.2000111.5L920 P921 L961 T979 L980 C984 L985 I986 F1017L920-L982 HydrophobicContact CD2-CB 4.31Å; P921-L982 HydrophobicContact CG-CD1 4.38Å; P921-L982 HydrophobicContact CG-CD2 4.1Å; L961-L982 HydrophobicContact CD1-CD2 4.23Å; T979-L982 PolarHBondContact O-N 2.84Å; L980-L982 PolarHBondContact O-N 3.29Å; L982-C984 VanDerWaalsContact C-N 3.33Å; L982-C984 PolarHBondContact O-N 2.98Å; L982-L985 PolarHBondContact O-N 3.42Å; L982-L985 VanDerWaalsContact O-N 3.16Å; L982-I986 HydrophobicContact CD1-CD1 4.12Å; L982-I986 HydrophobicContact CD1-CG1 4.25Å; L982-I986 HydrophobicContact CD2-CD1 4.43Å; L982-I986 HydrophobicContact CG-CD1 3.85Å; L982-I986 HydrophobicContact CG-CG1 4.37Å; L982-I986 WeakPolarHBondContact O-CG1 3.33Å; L982-I986 PolarHBondContact O-N 3.29Å; L982-F1017 HydrophobicContact CD2-CD2 3.5Å; L982-F1017 HydrophobicContact CD2-CE2 3.38Å; L982-F1017 HydrophobicContact CD2-CZ 4.45Å
983N95.2Very high94.4Very high14 Ų1428.5 Ų28.58%0.07515%0.151CC..Hα-helixtrans-62-40.3177.3-71.6-32.4000111.6T958 T979 L980 I986 R987T958-N983 WeakPolarHBondContact CG2-OD1 3.44Å; T979-N983 WeakPolarHBondContact CB-ND2 3.5Å; T979-N983 WeakPolarHBondContact O-CB 3.24Å; T979-N983 VanDerWaalsContact O-CG 3.22Å; T979-N983 PolarHBondContact O-N 2.83Å; T979-N983 PolarHBondContact O-ND2 2.9Å; T979-N983 VanDerWaalsContact O-ND2 3.16Å; T979-N983 PolarHBondContact OG1-ND2 2.85Å; L980-N983 PolarHBondContact O-N 3.23Å; N983-I986 PolarHBondContact O-N 3.12Å; N983-R987 WeakPolarHBondContact O-CB 3.48Å; N983-R987 WeakPolarHBondContact O-CG 3.34Å; N983-R987 PolarHBondContact O-N 3.5Å
984C94.7Very high94.3Very high2 Ų224.4 Ų24.41%0.01413%0.131CC..Hα-helixtrans-64.6-38.5173.4-64.20000112.5D903 L907 L980 L982 S988D903-C984 HydrophobicContact CB-CB 4.29Å; L907-C984 HydrophobicContact CD1-CB 4.02Å; L907-C984 HydrophobicContact CD2-CB 4.24Å; L907-C984 HydrophobicContact CG-CB 4.27Å; L980-C984 PolarHBondContact O-N 3.45Å; L980-C984 PolarHBondContact O-SG 2.81Å; L982-C984 VanDerWaalsContact C-N 3.33Å; L982-C984 PolarHBondContact O-N 2.98Å; C984-S988 VanDerWaalsContact O-CB 3.28Å; C984-S988 WeakPolarHBondContact O-CB 3.43Å; C984-S988 PolarHBondContact O-N 3.42Å; C984-S988 PolarHBondContact O-OG 3.01Å
985L95.2Very high94.3Very high3 Ų322.7 Ų22.72%0.01612%0.117CC..Hα-helixtrans-66.1-45.4173.6176.662000111.8Q845 T846 L847 L920 L924 L981 L982 S988 T989Q845-L985 HydrophobicContact CB-CD2 4.18Å; T846-L985 WeakPolarHBondContact O-CD1 3.5Å; L847-L985 HydrophobicContact CD2-CB 4.28Å; L847-L985 HydrophobicContact CD2-CD1 4.43Å; L920-L985 HydrophobicContact CD1-CB 4.06Å; L920-L985 HydrophobicContact CD1-CD2 3.51Å; L920-L985 HydrophobicContact CD1-CG 4.39Å; L924-L985 HydrophobicContact CD1-CD2 4.23Å; L924-L985 HydrophobicContact CD1-CG 3.87Å; L924-L985 HydrophobicContact CG-CD2 4.47Å; L981-L985 PolarHBondContact O-N 3.44Å; L981-L985 VanDerWaalsContact O-N 3.12Å; L982-L985 PolarHBondContact O-N 3.42Å; L982-L985 VanDerWaalsContact O-N 3.16Å; L985-S988 PolarHBondContact O-N 3.11Å; L985-S988 PolarHBondContact O-OG 3.44Å; L985-T989 VanDerWaalsContact O-CB 3.28Å; L985-T989 WeakPolarHBondContact O-CB 3.37Å; L985-T989 PolarHBondContact O-N 2.97Å; L985-T989 PolarHBondContact O-OG1 3.45Å
986I95.6Very high94Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-60.2-50.5178.3-71.5172.8000110L924 V954 L957 T958 L961 L982 N983 S988 T989 L990 I1013L924-I986 HydrophobicContact CD1-CB 4.49Å; L924-I986 HydrophobicContact CD1-CG1 3.89Å; V954-I986 HydrophobicContact CG1-CG2 4.22Å; L957-I986 HydrophobicContact CD2-CG2 4.3Å; T958-I986 HydrophobicContact CG2-CG2 4.37Å; L961-I986 HydrophobicContact CD1-CD1 3.41Å; L961-I986 VanDerWaalsContact CD1-CD1 3.41Å; L982-I986 HydrophobicContact CD1-CD1 4.12Å; L982-I986 HydrophobicContact CD1-CG1 4.25Å; L982-I986 HydrophobicContact CD2-CD1 4.43Å; L982-I986 HydrophobicContact CG-CD1 3.85Å; L982-I986 HydrophobicContact CG-CG1 4.37Å; L982-I986 WeakPolarHBondContact O-CG1 3.33Å; L982-I986 PolarHBondContact O-N 3.29Å; N983-I986 PolarHBondContact O-N 3.12Å; I986-S988 PolarHBondContact O-N 3.07Å; I986-T989 PolarHBondContact O-N 3.12Å; I986-L990 HydrophobicContact CG2-CD1 3.92Å; I986-L990 HydrophobicContact CG2-CG 4.37Å; I986-L990 WeakPolarHBondContact O-CB 3.47Å; I986-L990 WeakPolarHBondContact O-CG 3.34Å; I986-L990 PolarHBondContact O-N 2.83Å; I986-I1013 HydrophobicContact CD1-CG2 4.41Å
987R95.7Very high93.8Very high50 Ų5019.2 Ų19.219%0.18910%0.098CC..Hα-helixtrans-62.7-44.3178.3-70-174.8-62.8-116.81112.2L900 D903 V954 N983 T989 A991L900-R987 HydrophobicContact CD2-CB 3.87Å; D903-R987 IonicContact OD1-CZ 3.82Å; D903-R987 IonicContact OD1-NE 3.23Å; D903-R987 IonicContact OD1-NH2 3.1Å; D903-R987 PolarHBondContact OD1-NH2 2.92Å; D903-R987 IonicContact OD2-CZ 3.7Å; D903-R987 IonicContact OD2-NE 3.81Å; D903-R987 PolarHBondContact OD2-NE 3.09Å; D903-R987 IonicContact OD2-NH2 2.74Å; D903-R987 PolarHBondContact OD2-NH2 2.68Å; V954-R987 HydrophobicContact CG1-CG 4.05Å; N983-R987 WeakPolarHBondContact O-CB 3.48Å; N983-R987 WeakPolarHBondContact O-CG 3.34Å; N983-R987 PolarHBondContact O-N 3.5Å; R987-T989 PolarHBondContact O-N 2.89Å; R987-A991 WeakPolarHBondContact O-CB 3.44Å; R987-A991 PolarHBondContact O-N 3.07Å; R987-A991 VanDerWaalsContact O-N 3.12Å
988S94.4Very high93.6Very high1 Ų118.5 Ų18.51%0.0079%0.094CC..Hα-helixtrans-75.8-6.218064.40000115.1P848 Y861 C984 L985 I986 R994P848-S988 WeakPolarHBondContact CG-O 3.48Å; Y861-S988 VanDerWaalsContact CE1-O 3.24Å; Y861-S988 WeakPolarHBondContact CE1-O 3.09Å; Y861-S988 PolarHBondContact OH-O 3.36Å; C984-S988 VanDerWaalsContact O-CB 3.28Å; C984-S988 WeakPolarHBondContact O-CB 3.43Å; C984-S988 PolarHBondContact O-N 3.42Å; C984-S988 PolarHBondContact O-OG 3.01Å; L985-S988 PolarHBondContact O-N 3.11Å; L985-S988 PolarHBondContact O-OG 3.44Å; I986-S988 PolarHBondContact O-N 3.07Å; S988-R994 PolarHBondContact O-NH1 3.32Å
989T94.6Very high93.5Very high2 Ų219 Ų191%0.0129%0.091CC..Hα-helixtrans-103.9-44.8172.6-540000112.1L924 I928 L985 I986 R987L924-T989 HydrophobicContact CB-CG2 4.07Å; L924-T989 HydrophobicContact CD1-CG2 4.29Å; I928-T989 HydrophobicContact CD1-CG2 3.56Å; L985-T989 VanDerWaalsContact O-CB 3.28Å; L985-T989 WeakPolarHBondContact O-CB 3.37Å; L985-T989 PolarHBondContact O-N 2.97Å; L985-T989 PolarHBondContact O-OG1 3.45Å; I986-T989 PolarHBondContact O-N 3.12Å; R987-T989 PolarHBondContact O-N 2.89Å
990L95.2Very high93.2Very high1 Ų120.4 Ų20.41%0.00510%0.097CC..Hα-helixtrans-92.213.5-177.1-53.7-172000114.4I928 V950 V954 L957 I986 L995 L1009 L1010 I1013I928-L990 HydrophobicContact CD1-CD2 3.89Å; I928-L990 HydrophobicContact CG1-CD2 4.4Å; V950-L990 WeakPolarHBondContact CG1-O 3.36Å; V954-L990 HydrophobicContact CG2-CB 3.8Å; V954-L990 HydrophobicContact CG2-CD1 4.2Å; L957-L990 HydrophobicContact CD2-CD1 4.48Å; I986-L990 HydrophobicContact CG2-CD1 3.92Å; I986-L990 HydrophobicContact CG2-CG 4.37Å; I986-L990 WeakPolarHBondContact O-CB 3.47Å; I986-L990 WeakPolarHBondContact O-CG 3.34Å; I986-L990 PolarHBondContact O-N 2.83Å; L990-L995 HydrophobicContact CB-CD1 4.37Å; L990-L995 HydrophobicContact CD2-CD2 3.97Å; L990-L1009 HydrophobicContact CD2-CD2 3.78Å; L990-L1010 HydrophobicContact CD1-CD2 4.34Å; L990-I1013 HydrophobicContact CD1-CD1 3.99Å
991A94.7Very high93.1Very high1 Ų118.1 Ų18.11%0.0089%0.085CC..  trans-53.8139.5176.300000111.6Y861 E896 L900 R987 K993 R994 L995Y861-A991 HydrophobicContact CD1-CB 3.87Å; Y861-A991 HydrophobicContact CE1-CB 4.13Å; E896-A991 VanDerWaalsContact OE1-CA 3.31Å; E896-A991 WeakPolarHBondContact OE1-CA 3.44Å; L900-A991 HydrophobicContact CD1-CB 3.92Å; R987-A991 WeakPolarHBondContact O-CB 3.44Å; R987-A991 PolarHBondContact O-N 3.07Å; R987-A991 VanDerWaalsContact O-N 3.12Å; A991-K993 VanDerWaalsContact C-N 3.27Å; A991-K993 PolarHBondContact O-N 2.99Å; A991-K993 VanDerWaalsContact O-N 3.11Å; A991-R994 HydrophobicContact CB-CG 4.37Å; A991-R994 WeakPolarHBondContact O-CA 3.48Å; A991-R994 PolarHBondContact O-N 3.45Å; A991-L995 PolarHBondContact O-N 3.05Å
992S93.1Very high92.9Very high2 Ų218 Ų181%0.0149%0.085CC..Hα-helixtrans-46.6-47.1-175.163.10000113.5L893 E896 A996L893-S992 WeakPolarHBondContact CD2-OG 3.47Å; E896-S992 PolarHBondContact OE1-N 3.49Å; E896-S992 VanDerWaalsContact OE2-CB 3.23Å; E896-S992 WeakPolarHBondContact OE2-CB 3.32Å; E896-S992 PolarHBondContact OE2-OG 3.47Å; S992-A996 PolarHBondContact O-N 3.29Å
993K92.7Very high92.8Very high26 Ų2619.8 Ų19.811%0.11310%0.096CC..Hα-helixtrans-63.7-39.4177.1-168.7173.4-174.3-177.50112.8K859 R862 A991 F997K859-K993 PolarHBondContact O-NZ 3.03Å; R862-K993 VanDerWaalsContact O-CD 3.28Å; R862-K993 WeakPolarHBondContact O-CD 3.31Å; R862-K993 WeakPolarHBondContact O-CE 3.33Å; R862-K993 PolarHBondContact O-NZ 3.34Å; A991-K993 VanDerWaalsContact C-N 3.27Å; A991-K993 PolarHBondContact O-N 2.99Å; A991-K993 VanDerWaalsContact O-N 3.11Å; K993-F997 HydrophobicContact CG-CD2 3.8Å; K993-F997 HydrophobicContact CG-CE2 4.38Å; K993-F997 HydrophobicContact CG-CG 4.41Å; K993-F997 VanDerWaalsContact O-CB 3.27Å; K993-F997 WeakPolarHBondContact O-CB 3.48Å; K993-F997 VanDerWaalsContact O-CD2 3.28Å; K993-F997 WeakPolarHBondContact O-CD2 3.14Å; K993-F997 PolarHBondContact O-N 3.16Å
994R92.6Very high92.7Very high15 Ų1525.1 Ų25.16%0.05712%0.121CC..Hα-helixtrans-70.2-43.1179.5-65-161.169.3-147.2-11.9111.6R860 Y861 S988 A991 A996 D998 Y999R860-R994 HydrophobicContact CG-CG 4.41Å; Y861-R994 HydrophobicContact CD1-CG 4.36Å; Y861-R994 VanDerWaalsContact CE1-CD 3.49Å; Y861-R994 HydrophobicContact CE1-CG 4.06Å; S988-R994 PolarHBondContact O-NH1 3.32Å; A991-R994 HydrophobicContact CB-CG 4.37Å; A991-R994 WeakPolarHBondContact O-CA 3.48Å; A991-R994 PolarHBondContact O-N 3.45Å; R994-A996 VanDerWaalsContact C-N 3.28Å; R994-A996 PolarHBondContact O-N 3.02Å; R994-D998 IonicContact CZ-OD2 3.75Å; R994-D998 IonicContact NE-OD2 2.63Å; R994-D998 PolarHBondContact NE-OD2 2.82Å; R994-D998 IonicContact NH2-OD2 2.66Å; R994-D998 PolarHBondContact NH2-OD2 2.88Å; R994-D998 VanDerWaalsContact NH2-OD2 3.08Å; R994-D998 WeakPolarHBondContact O-CA 3.44Å; R994-D998 WeakPolarHBondContact O-CB 3.29Å; R994-D998 PolarHBondContact O-N 2.86Å; R994-Y999 HydrophobicContact CB-CD2 4.49Å; R994-Y999 HydrophobicContact CB-CE2 4.34Å; R994-Y999 PolarHBondContact NH2-OH 3.24Å; R994-Y999 WeakPolarHBondContact O-CD2 3.31Å; R994-Y999 PolarHBondContact O-N 2.97Å; R994-Y999 VanDerWaalsContact O-N 3.12Å
995L92.9Very high92.6Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-62.1-34.5178.8-64.3-166.8000113.1L945 V950 L990 A991 Y999 K1000 L1001 F1006L945-L995 HydrophobicContact CD2-CB 4.27Å; L945-L995 HydrophobicContact CD2-CD1 4.3Å; V950-L995 HydrophobicContact CG1-CD1 3.64Å; V950-L995 HydrophobicContact CG1-CG 4.48Å; V950-L995 HydrophobicContact CG2-CD1 4.06Å; L990-L995 HydrophobicContact CB-CD1 4.37Å; L990-L995 HydrophobicContact CD2-CD2 3.97Å; A991-L995 PolarHBondContact O-N 3.05Å; L995-Y999 HydrophobicContact CD2-CD2 3.98Å; L995-Y999 CarbonylContact O-C 3.43Å; L995-K1000 VanDerWaalsContact O-CA 3.31Å; L995-K1000 WeakPolarHBondContact O-CA 3.35Å; L995-K1000 PolarHBondContact O-N 2.92Å; L995-L1001 HydrophobicContact CD2-CD1 4.07Å; L995-L1001 PolarHBondContact O-N 2.97Å; L995-F1006 HydrophobicContact CD1-CD2 3.55Å; L995-F1006 HydrophobicContact CD1-CE2 3.45Å; L995-F1006 VanDerWaalsContact CD1-CE2 3.45Å; L995-F1006 HydrophobicContact CD1-CZ 4.49Å
996A89.5Confident92.6Very high3 Ų324.9 Ų24.93%0.02512%0.119CC..Hα-helixtrans-88.4-36.4179.100000114.6T874 Y875 T943 S992 R994 K1000T874-A996 HydrophobicContact CG2-CB 3.91Å; T874-A996 VanDerWaalsContact CG2-O 3.22Å; T874-A996 WeakPolarHBondContact CG2-O 3.33Å; Y875-A996 HydrophobicContact CE1-CB 3.71Å; Y875-A996 HydrophobicContact CE2-CB 4.18Å; Y875-A996 WeakPolarHBondContact OH-CB 3.48Å; T943-A996 HydrophobicContact CG2-CB 4.01Å; S992-A996 PolarHBondContact O-N 3.29Å; R994-A996 VanDerWaalsContact C-N 3.28Å; R994-A996 PolarHBondContact O-N 3.02Å; A996-K1000 WeakPolarHBondContact O-CG 3.29Å
997F89.4Confident92.5Very high56 Ų5628.6 Ų28.625%0.24614%0.137CC..Hα-helixtrans-97.4-38.7-174.3-70.5-95.1000114.2M870 T874 Y875 K993M870-F997 HydrophobicContact CE-CD1 4.16Å; M870-F997 HydrophobicContact CE-CE1 3.52Å; M870-F997 HydrophobicContact CE-CE2 4Å; M870-F997 HydrophobicContact CE-CZ 3.45Å; M870-F997 VanDerWaalsContact CE-CZ 3.45Å; M870-F997 HydrophobicContact CG-CE1 3.72Å; M870-F997 HydrophobicContact CG-CZ 4.08Å; M870-F997 HydrophobicContact SD-CE1 3.5Å; M870-F997 WeakPolarHBondContact SD-CE1 3.33Å; M870-F997 HydrophobicContact SD-CE2 4.2Å; M870-F997 HydrophobicContact SD-CZ 3.23Å; M870-F997 WeakPolarHBondContact SD-CZ 3.42Å; T874-F997 HydrophobicContact CG2-CD1 4.17Å; T874-F997 HydrophobicContact CG2-CD2 4.13Å; T874-F997 HydrophobicContact CG2-CE1 3.95Å; T874-F997 HydrophobicContact CG2-CE2 3.91Å; T874-F997 HydrophobicContact CG2-CG 4.25Å; T874-F997 HydrophobicContact CG2-CZ 3.79Å; T874-F997 WeakPolarHBondContact OG1-CE1 3.35Å; T874-F997 WeakPolarHBondContact OG1-CZ 3.16Å; Y875-F997 HydrophobicContact CE2-CE2 4Å; Y875-F997 HydrophobicContact CE2-CZ 4.37Å; K993-F997 HydrophobicContact CG-CD2 3.8Å; K993-F997 HydrophobicContact CG-CE2 4.38Å; K993-F997 HydrophobicContact CG-CG 4.41Å; K993-F997 VanDerWaalsContact O-CB 3.27Å; K993-F997 WeakPolarHBondContact O-CB 3.48Å; K993-F997 VanDerWaalsContact O-CD2 3.28Å; K993-F997 WeakPolarHBondContact O-CD2 3.14Å; K993-F997 PolarHBondContact O-N 3.16Å
998D89.5Confident92.5Very high82 Ų8229.5 Ų29.544%0.43914%0.14SC..THydrogen-bonded Turntrans-84-51.9177.2-60.9-14.1000110.2R994R994-D998 IonicContact CZ-OD2 3.75Å; R994-D998 IonicContact NE-OD2 2.63Å; R994-D998 PolarHBondContact NE-OD2 2.82Å; R994-D998 IonicContact NH2-OD2 2.66Å; R994-D998 PolarHBondContact NH2-OD2 2.88Å; R994-D998 VanDerWaalsContact NH2-OD2 3.08Å; R994-D998 WeakPolarHBondContact O-CA 3.44Å; R994-D998 WeakPolarHBondContact O-CB 3.29Å; R994-D998 PolarHBondContact O-N 2.86Å
999Y90.7Very high92.6Very high29 Ų2929.5 Ų29.511%0.11414%0.14CC..SBendtrans-101.7-23.3-165.9-57.2-65.1000115.3I928 Q932 R994 L995 L1001I928-Y999 HydrophobicContact CD1-CE2 4.09Å; I928-Y999 HydrophobicContact CG2-CD1 3.43Å; I928-Y999 VanDerWaalsContact CG2-CD1 3.43Å; I928-Y999 HydrophobicContact CG2-CD2 4.2Å; I928-Y999 HydrophobicContact CG2-CE1 3.78Å; I928-Y999 HydrophobicContact CG2-CE2 4.5Å; I928-Y999 HydrophobicContact CG2-CG 3.65Å; Q932-Y999 PolarHBondContact NE2-O 3.47Å; R994-Y999 HydrophobicContact CB-CD2 4.49Å; R994-Y999 HydrophobicContact CB-CE2 4.34Å; R994-Y999 PolarHBondContact NH2-OH 3.24Å; R994-Y999 WeakPolarHBondContact O-CD2 3.31Å; R994-Y999 PolarHBondContact O-N 2.97Å; R994-Y999 VanDerWaalsContact O-N 3.12Å; L995-Y999 HydrophobicContact CD2-CD2 3.98Å; L995-Y999 CarbonylContact O-C 3.43Å; Y999-L1001 VanDerWaalsContact C-N 3.28Å; Y999-L1001 PolarHBondContact O-N 3.17Å
1000K89.5Confident92.6Very high34 Ų3430 Ų3015%0.14814%0.143CC..  trans52.334.5-179.3-77-177.9160.9-153.60116V937 S939 S941 L995 A996V937-K1000 HydrophobicContact CG1-CB 4.39Å; V937-K1000 WeakPolarHBondContact CG1-O 3.3Å; S939-K1000 WeakPolarHBondContact O-CD 3.26Å; S939-K1000 WeakPolarHBondContact O-CE 3.26Å; S939-K1000 PolarHBondContact O-NZ 2.83Å; S941-K1000 PolarHBondContact O-NZ 2.82Å; L995-K1000 VanDerWaalsContact O-CA 3.31Å; L995-K1000 WeakPolarHBondContact O-CA 3.35Å; L995-K1000 PolarHBondContact O-N 2.92Å; A996-K1000 WeakPolarHBondContact O-CG 3.29Å
1001L91.3Very high92.6Very high0 Ų031.1 Ų31.10%015%0.154CC..  trans-59.7144.4178.4-60.3-173.8000111.6A931 Q932 V937 T943 L945 L995 Y999 L1009A931-L1001 HydrophobicContact CB-CD2 4.47Å; Q932-L1001 HydrophobicContact CG-CD2 3.83Å; V937-L1001 HydrophobicContact CG2-CD2 4.49Å; T943-L1001 WeakPolarHBondContact CB-O 3.38Å; T943-L1001 PolarHBondContact OG1-O 2.55Å; L945-L1001 WeakPolarHBondContact CB-O 3.36Å; L945-L1001 HydrophobicContact CD2-CB 4.21Å; L995-L1001 HydrophobicContact CD2-CD1 4.07Å; L995-L1001 PolarHBondContact O-N 2.97Å; Y999-L1001 VanDerWaalsContact C-N 3.28Å; Y999-L1001 PolarHBondContact O-N 3.17Å; L1001-L1009 HydrophobicContact CD1-CD2 3.58Å
1002N90.9Very high92.6Very high48 Ų4832.8 Ų32.826%0.25716%0.162SC..  trans-89.9171.9170.171.9-2.2000110.7D944 E1004 S1005 F1006D944-N1002 WeakPolarHBondContact OD1-CA 3.47Å; D944-N1002 WeakPolarHBondContact OD1-CB 3.49Å; N1002-E1004 VanDerWaalsContact C-N 3.35Å; N1002-E1004 PolarHBondContact O-N 3.04Å; N1002-S1005 PolarHBondContact N-OG 3.44Å; N1002-S1005 VanDerWaalsContact N-OG 3.14Å; N1002-S1005 PolarHBondContact O-N 3.01Å; N1002-S1005 PolarHBondContact O-OG 2.97Å; N1002-S1005 VanDerWaalsContact O-OG 3.11Å; N1002-S1005 WeakPolarHBondContact OD1-CB 3.21Å; N1002-S1005 PolarHBondContact OD1-N 3.12Å; N1002-S1005 PolarHBondContact OD1-OG 2.85Å; N1002-F1006 PolarHBondContact O-N 3.38Å; N1002-F1006 VanDerWaalsContact O-N 3.13Å
1003T92.3Very high92.7Very high47 Ų4732.8 Ų32.829%0.28816%0.162SC..Hα-helixtrans-57.7-44.8-178.6-54.70000112.6D944 F1006 E1007D944-T1003 VanDerWaalsContact CG-OG1 3.32Å; D944-T1003 PolarHBondContact OD1-N 3.44Å; D944-T1003 VanDerWaalsContact OD1-N 3.07Å; D944-T1003 WeakPolarHBondContact OD2-CB 3.35Å; D944-T1003 PolarHBondContact OD2-N 3.29Å; D944-T1003 PolarHBondContact OD2-OG1 3.34Å; T1003-F1006 PolarHBondContact O-N 2.76Å; T1003-E1007 PolarHBondContact O-N 3.06Å
1004E92.3Very high92.8Very high126 Ų12633.6 Ų33.659%0.58917%0.166SC*.Hα-helixtrans-63.3-46.5-177.4-168.3-176.7-176.200113.1F935 N1002 F1006 E1007 W1008F935-E1004 HydrophobicContact CD1-CG 4.13Å; F935-E1004 HydrophobicContact CE1-CB 4.44Å; F935-E1004 HydrophobicContact CE1-CG 3.64Å; F935-E1004 HydrophobicContact CZ-CG 4.37Å; N1002-E1004 VanDerWaalsContact C-N 3.35Å; N1002-E1004 PolarHBondContact O-N 3.04Å; E1004-F1006 VanDerWaalsContact C-N 3.26Å; E1004-F1006 PolarHBondContact O-N 2.97Å; E1004-E1007 PolarHBondContact O-N 3.43Å; E1004-W1008 PolarHBondContact O-N 2.96Å
1005S92.6Very high92.9Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-67.2-26176.9620000113N1002 L1009N1002-S1005 PolarHBondContact N-OG 3.44Å; N1002-S1005 VanDerWaalsContact N-OG 3.14Å; N1002-S1005 PolarHBondContact O-N 3.01Å; N1002-S1005 PolarHBondContact O-OG 2.97Å; N1002-S1005 VanDerWaalsContact O-OG 3.11Å; N1002-S1005 WeakPolarHBondContact OD1-CB 3.21Å; N1002-S1005 PolarHBondContact OD1-N 3.12Å; N1002-S1005 PolarHBondContact OD1-OG 2.85Å; S1005-L1009 VanDerWaalsContact O-CB 3.24Å; S1005-L1009 WeakPolarHBondContact O-CB 3.43Å; S1005-L1009 PolarHBondContact O-N 3.45Å
1006F94.8Very high92.9Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-72.5-45172.4179.3-111.5000112.3L945 R949 V950 L995 N1002 T1003 E1004 W1008 L1009 L1010L945-F1006 HydrophobicContact CD1-CB 3.85Å; L945-F1006 HydrophobicContact CD1-CD1 3.65Å; L945-F1006 HydrophobicContact CD1-CE1 4.41Å; L945-F1006 HydrophobicContact CD1-CG 3.82Å; L945-F1006 HydrophobicContact CD2-CB 3.9Å; L945-F1006 HydrophobicContact CD2-CD2 4.3Å; L945-F1006 HydrophobicContact CD2-CG 4.03Å; R949-F1006 HydrophobicContact CG-CE1 4.4Å; V950-F1006 HydrophobicContact CB-CZ 4.25Å; V950-F1006 HydrophobicContact CG1-CE2 4.25Å; V950-F1006 HydrophobicContact CG1-CZ 4.15Å; V950-F1006 HydrophobicContact CG2-CE1 4.49Å; V950-F1006 HydrophobicContact CG2-CZ 4.33Å; L995-F1006 HydrophobicContact CD1-CD2 3.55Å; L995-F1006 HydrophobicContact CD1-CE2 3.45Å; L995-F1006 VanDerWaalsContact CD1-CE2 3.45Å; L995-F1006 HydrophobicContact CD1-CZ 4.49Å; N1002-F1006 PolarHBondContact O-N 3.38Å; N1002-F1006 VanDerWaalsContact O-N 3.13Å; T1003-F1006 PolarHBondContact O-N 2.76Å; E1004-F1006 VanDerWaalsContact C-N 3.26Å; E1004-F1006 PolarHBondContact O-N 2.97Å; F1006-W1008 VanDerWaalsContact C-N 3.31Å; F1006-W1008 PolarHBondContact O-N 3.01Å; F1006-L1009 WeakPolarHBondContact O-CB 3.2Å; F1006-L1009 PolarHBondContact O-N 3.36Å; F1006-L1010 HydrophobicContact CD1-CD1 4.27Å; F1006-L1010 HydrophobicContact CE1-CD1 3.66Å; F1006-L1010 HydrophobicContact CE1-CG 4.23Å; F1006-L1010 HydrophobicContact CE2-CD1 4.42Å; F1006-L1010 HydrophobicContact CE2-CD2 3.95Å; F1006-L1010 HydrophobicContact CE2-CG 4.15Å; F1006-L1010 HydrophobicContact CZ-CD1 3.75Å; F1006-L1010 HydrophobicContact CZ-CD2 3.87Å; F1006-L1010 HydrophobicContact CZ-CG 3.97Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 3.06Å
1007E94.6Very high93.2Very high77 Ų7737.1 Ų37.136%0.3618%0.184SC..Hα-helixtrans-59.7-42.8174.1-61.8-56.3153.700111.5R949 T1003 E1004 L1010 G1011R949-E1007 IonicContact CZ-OE1 3.43Å; R949-E1007 VanDerWaalsContact CZ-OE1 3.26Å; R949-E1007 IonicContact CZ-OE2 3.76Å; R949-E1007 IonicContact NE-OE1 3.72Å; R949-E1007 PolarHBondContact NE-OE1 3Å; R949-E1007 IonicContact NE-OE2 2.71Å; R949-E1007 VanDerWaalsContact NH2-CD 3.27Å; R949-E1007 IonicContact NH2-OE1 3.68Å; R949-E1007 PolarHBondContact NH2-OE1 3.41Å; R949-E1007 IonicContact NH2-OE2 3.82Å; R949-E1007 PolarHBondContact NH2-OE2 3.33Å; T1003-E1007 PolarHBondContact O-N 3.06Å; E1004-E1007 PolarHBondContact O-N 3.43Å; E1007-L1010 PolarHBondContact O-N 2.85Å; E1007-G1011 PolarHBondContact O-N 3.09Å; E1007-G1011 VanDerWaalsContact O-N 3.14Å
1008W95.2Very high93.4Very high70 Ų7039.2 Ų39.227%0.26520%0.195SC..Hα-helixtrans-59.9-45.8174.5-178.484.4000112.3I927 N930 A931 I934 F935 E1004 F1006 L1010 G1011 E1012I927-W1008 HydrophobicContact CG2-CH2 4.32Å; I927-W1008 HydrophobicContact CG2-CZ3 3.98Å; N930-W1008 HydrophobicContact CB-CH2 4.31Å; A931-W1008 HydrophobicContact CB-CE3 3.71Å; A931-W1008 HydrophobicContact CB-CZ3 3.7Å; I934-W1008 HydrophobicContact CD1-CH2 3.76Å; I934-W1008 HydrophobicContact CD1-CZ2 3.67Å; I934-W1008 HydrophobicContact CD1-CZ3 4.4Å; F935-W1008 HydrophobicContact CE2-CB 3.64Å; F935-W1008 AromaticContact CE2-CD2 3.95Å; F935-W1008 HydrophobicContact CE2-CD2 3.95Å; F935-W1008 HydrophobicContact CE2-CE3 4.29Å; F935-W1008 AromaticContact CE2-CG 3.64Å; F935-W1008 HydrophobicContact CE2-CG 3.64Å; F935-W1008 HydrophobicContact CZ-CB 3.74Å; F935-W1008 AromaticContact CZ-CG 3.87Å; F935-W1008 HydrophobicContact CZ-CG 3.87Å; E1004-W1008 PolarHBondContact O-N 2.96Å; F1006-W1008 VanDerWaalsContact C-N 3.31Å; F1006-W1008 PolarHBondContact O-N 3.01Å; W1008-L1010 PolarHBondContact O-N 3.04Å; W1008-G1011 PolarHBondContact O-N 3.15Å; W1008-E1012 HydrophobicContact CH2-CB 4.36Å; W1008-E1012 HydrophobicContact CH2-CG 3.99Å; W1008-E1012 HydrophobicContact CZ2-CB 4.35Å; W1008-E1012 HydrophobicContact CZ2-CG 4.11Å; W1008-E1012 HydrophobicContact CZ3-CB 4.49Å; W1008-E1012 HydrophobicContact CZ3-CG 4.48Å; W1008-E1012 WeakPolarHBondContact O-CB 3.36Å; W1008-E1012 PolarHBondContact O-N 3.07Å
1009L95.1Very high93.5Very high0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-59.3-42.6178.2173.762.3000112.3I927 I928 L990 L1001 S1005 F1006 I1013I927-L1009 HydrophobicContact CB-CD1 4.19Å; I927-L1009 HydrophobicContact CG2-CD1 3.54Å; I928-L1009 HydrophobicContact CG1-CD1 3.9Å; I928-L1009 HydrophobicContact CG1-CD2 3.79Å; L990-L1009 HydrophobicContact CD2-CD2 3.78Å; L1001-L1009 HydrophobicContact CD1-CD2 3.58Å; S1005-L1009 VanDerWaalsContact O-CB 3.24Å; S1005-L1009 WeakPolarHBondContact O-CB 3.43Å; S1005-L1009 PolarHBondContact O-N 3.45Å; F1006-L1009 WeakPolarHBondContact O-CB 3.2Å; F1006-L1009 PolarHBondContact O-N 3.36Å; L1009-I1013 HydrophobicContact CD1-CD1 3.76Å; L1009-I1013 HydrophobicContact CD1-CG1 4.24Å; L1009-I1013 HydrophobicContact CG-CD1 4.01Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.4Å; L1009-I1013 VanDerWaalsContact O-CG1 3.23Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; L1009-I1013 PolarHBondContact O-N 3.42Å; L1009-I1013 VanDerWaalsContact O-N 3.11Å
1010L95.9Very high93.6Very high14 Ų1440 Ų407%0.07320%0.197CC..Hα-helixtrans-63.6-46.6176.4-64.1-179.8000111.6L957 L990 F1006 E1007 W1008 E1012 I1013 E1014L957-L1010 HydrophobicContact CB-CD2 4.19Å; L957-L1010 HydrophobicContact CD2-CD2 3.74Å; L990-L1010 HydrophobicContact CD1-CD2 4.34Å; F1006-L1010 HydrophobicContact CD1-CD1 4.27Å; F1006-L1010 HydrophobicContact CE1-CD1 3.66Å; F1006-L1010 HydrophobicContact CE1-CG 4.23Å; F1006-L1010 HydrophobicContact CE2-CD1 4.42Å; F1006-L1010 HydrophobicContact CE2-CD2 3.95Å; F1006-L1010 HydrophobicContact CE2-CG 4.15Å; F1006-L1010 HydrophobicContact CZ-CD1 3.75Å; F1006-L1010 HydrophobicContact CZ-CD2 3.87Å; F1006-L1010 HydrophobicContact CZ-CG 3.97Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 3.06Å; E1007-L1010 PolarHBondContact O-N 2.85Å; W1008-L1010 PolarHBondContact O-N 3.04Å; L1010-E1012 PolarHBondContact O-N 2.89Å; L1010-I1013 PolarHBondContact O-N 2.98Å; L1010-E1014 PolarHBondContact O-N 3.17Å
1011G95.3Very high93.9Very high23 Ų2340.5 Ų40.524%0.23720%0.2CC..Hα-helixtrans-65.4-35.7-18000000113.7E1007 W1008 T1015E1007-G1011 PolarHBondContact O-N 3.09Å; E1007-G1011 VanDerWaalsContact O-N 3.14Å; W1008-G1011 PolarHBondContact O-N 3.15Å; G1011-T1015 WeakPolarHBondContact O-CB 3.03Å; G1011-T1015 PolarHBondContact O-N 3.25Å; G1011-T1015 PolarHBondContact O-OG1 3.2Å
1012E93.9Very high94Very high37 Ų3741.2 Ų41.217%0.17320%0.204CC..Hα-helixtrans-70.9-39.7177-174.168.117800111.8I927 W1008 L1010 T1015 R1016I927-E1012 HydrophobicContact CG2-CB 4.21Å; I927-E1012 HydrophobicContact CG2-CG 3.79Å; W1008-E1012 HydrophobicContact CH2-CB 4.36Å; W1008-E1012 HydrophobicContact CH2-CG 3.99Å; W1008-E1012 HydrophobicContact CZ2-CB 4.35Å; W1008-E1012 HydrophobicContact CZ2-CG 4.11Å; W1008-E1012 HydrophobicContact CZ3-CB 4.49Å; W1008-E1012 HydrophobicContact CZ3-CG 4.48Å; W1008-E1012 WeakPolarHBondContact O-CB 3.36Å; W1008-E1012 PolarHBondContact O-N 3.07Å; L1010-E1012 PolarHBondContact O-N 2.89Å; E1012-T1015 PolarHBondContact O-N 3.48Å; E1012-R1016 WeakPolarHBondContact O-CB 3.36Å; E1012-R1016 WeakPolarHBondContact O-CG 3.17Å; E1012-R1016 PolarHBondContact O-N 2.92Å; E1012-R1016 IonicContact OE1-CZ 2.79Å; E1012-R1016 IonicContact OE1-NE 3.36Å; E1012-R1016 PolarHBondContact OE1-NE 3.5Å; E1012-R1016 IonicContact OE1-NH2 3.8Å; E1012-R1016 PolarHBondContact OE1-NH2 3.3Å
1013I95.4Very high94.1Very high2 Ų242.5 Ų42.51%0.0121%0.209CC..Hα-helixtrans-64.7-44.8174.1-66.1163.5000110.8L924 I927 L957 I986 L990 L1009 L1010 F1017L924-I1013 HydrophobicContact CD2-CD1 3.77Å; L924-I1013 HydrophobicContact CD2-CG1 3.88Å; L924-I1013 HydrophobicContact CD2-CG2 4.4Å; I927-I1013 HydrophobicContact CD1-CG1 4.29Å; L957-I1013 HydrophobicContact CD1-CG2 4.37Å; L957-I1013 HydrophobicContact CD2-CB 4.26Å; L957-I1013 HydrophobicContact CD2-CD1 4.33Å; L957-I1013 HydrophobicContact CD2-CG2 3.97Å; I986-I1013 HydrophobicContact CD1-CG2 4.41Å; L990-I1013 HydrophobicContact CD1-CD1 3.99Å; L1009-I1013 HydrophobicContact CD1-CD1 3.76Å; L1009-I1013 HydrophobicContact CD1-CG1 4.24Å; L1009-I1013 HydrophobicContact CG-CD1 4.01Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.4Å; L1009-I1013 VanDerWaalsContact O-CG1 3.23Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; L1009-I1013 PolarHBondContact O-N 3.42Å; L1009-I1013 VanDerWaalsContact O-N 3.11Å; L1010-I1013 PolarHBondContact O-N 2.98Å; I1013-F1017 VanDerWaalsContact O-CB 3.25Å; I1013-F1017 WeakPolarHBondContact O-CB 2.87Å; I1013-F1017 PolarHBondContact O-N 3.35Å
1014E95.5Very high94.2Very high43 Ų4341.8 Ų41.820%0.20121%0.205CC..Hα-helixtrans-58.8-49.3176.1-178177.617000111.1L957 K960 L1010 F1017 Q1018L957-E1014 HydrophobicContact CD1-CB 3.94Å; K960-E1014 VanDerWaalsContact CD-CD 3.46Å; K960-E1014 WeakPolarHBondContact CD-OE1 3.04Å; K960-E1014 WeakPolarHBondContact CD-OE2 3.3Å; K960-E1014 IonicContact NZ-OE2 3.51Å; K960-E1014 PolarHBondContact NZ-OE2 3.13Å; L1010-E1014 PolarHBondContact O-N 3.17Å; E1014-F1017 PolarHBondContact O-N 3.43Å; E1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; E1014-Q1018 PolarHBondContact O-N 2.82Å; E1014-Q1018 PolarHBondContact OE1-NE2 3.01Å
1015T94Very high94.2Very high49 Ų4935.9 Ų35.930%0.30118%0.178SC..Hα-helixtrans-62.1-48-178.1-58.90000111.9G1011 E1012 F1017 Q1018 Q1019G1011-T1015 WeakPolarHBondContact O-CB 3.03Å; G1011-T1015 PolarHBondContact O-N 3.25Å; G1011-T1015 PolarHBondContact O-OG1 3.2Å; E1012-T1015 PolarHBondContact O-N 3.48Å; T1015-F1017 PolarHBondContact O-N 3.05Å; T1015-Q1018 PolarHBondContact O-N 2.75Å; T1015-Q1019 WeakPolarHBondContact O-CG 3.42Å; T1015-Q1019 PolarHBondContact O-N 2.92Å
1016R93.3Very high94.2Very high40 Ų4035.9 Ų35.915%0.15118%0.178CC..Hα-helixtrans-67.3-34.7178.8-71.1177.3-176.4-102.8-8.5112.5L599 C922 E1012 Q1019 A1020L599-R1016 PolarHBondContact O-NH1 3.06Å; C922-R1016 VanDerWaalsContact SG-C 3.57Å; C922-R1016 WeakPolarHBondContact SG-CB 3.42Å; E1012-R1016 WeakPolarHBondContact O-CB 3.36Å; E1012-R1016 WeakPolarHBondContact O-CG 3.17Å; E1012-R1016 PolarHBondContact O-N 2.92Å; E1012-R1016 IonicContact OE1-CZ 2.79Å; E1012-R1016 IonicContact OE1-NE 3.36Å; E1012-R1016 PolarHBondContact OE1-NE 3.5Å; E1012-R1016 IonicContact OE1-NH2 3.8Å; E1012-R1016 PolarHBondContact OE1-NH2 3.3Å; R1016-Q1019 PolarHBondContact O-N 2.76Å; R1016-A1020 WeakPolarHBondContact O-CB 3.5Å; R1016-A1020 PolarHBondContact O-N 3.26Å
1017F94.9Very high94.2Very high2 Ų236.5 Ų36.51%0.00918%0.181CC..Hα-helixtrans-67.2-40.8176.9176.5-95.9000111.9L837 P921 C922 L961 I963 T979 L982 I1013 E1014 T1015 Q1019 A1020 Q1021L837-F1017 HydrophobicContact CD2-CE2 4.14Å; P921-F1017 HydrophobicContact CG-CD2 4.2Å; C922-F1017 PolarHBondContact SG-N 3.08Å; C922-F1017 VanDerWaalsContact SG-N 3.36Å; L961-F1017 VanDerWaalsContact C-CE1 3.42Å; L961-F1017 VanDerWaalsContact CA-CE1 3.47Å; L961-F1017 HydrophobicContact CB-CD1 3.93Å; L961-F1017 HydrophobicContact CB-CE1 3.63Å; L961-F1017 HydrophobicContact CB-CE2 4.5Å; L961-F1017 HydrophobicContact CB-CG 4.47Å; L961-F1017 HydrophobicContact CB-CZ 3.91Å; L961-F1017 HydrophobicContact CD2-CB 3.79Å; L961-F1017 HydrophobicContact CD2-CD1 3.54Å; L961-F1017 HydrophobicContact CD2-CD2 4.4Å; L961-F1017 HydrophobicContact CD2-CE1 4.18Å; L961-F1017 HydrophobicContact CD2-CG 3.65Å; L961-F1017 HydrophobicContact CG-CD1 4.27Å; L961-F1017 HydrophobicContact CG-CE1 4.44Å; L961-F1017 HydrophobicContact CG-CG 4.48Å; I963-F1017 HydrophobicContact CD1-CE2 4.33Å; I963-F1017 HydrophobicContact CD1-CZ 3.78Å; I963-F1017 HydrophobicContact CG1-CE1 4.21Å; I963-F1017 HydrophobicContact CG1-CZ 3.58Å; T979-F1017 HydrophobicContact CG2-CZ 4.37Å; L982-F1017 HydrophobicContact CD2-CD2 3.5Å; L982-F1017 HydrophobicContact CD2-CE2 3.38Å; L982-F1017 HydrophobicContact CD2-CZ 4.45Å; I1013-F1017 VanDerWaalsContact O-CB 3.25Å; I1013-F1017 WeakPolarHBondContact O-CB 2.87Å; I1013-F1017 PolarHBondContact O-N 3.35Å; E1014-F1017 PolarHBondContact O-N 3.43Å; T1015-F1017 PolarHBondContact O-N 3.05Å; F1017-Q1019 VanDerWaalsContact C-N 3.29Å; F1017-Q1019 PolarHBondContact O-N 3.05Å; F1017-A1020 PolarHBondContact O-N 3.42Å; F1017-A1020 VanDerWaalsContact O-N 3.16Å; F1017-Q1021 WeakPolarHBondContact O-CG 3.29Å
1018Q93.4Very high94.2Very high101 Ų10132.8 Ų32.847%0.47216%0.163SC..Hα-helixtrans-62.4-36.7174.4-70.1176.319.500111.8E1014 T1015E1014-Q1018 WeakPolarHBondContact O-CG 3.48Å; E1014-Q1018 PolarHBondContact O-N 2.82Å; E1014-Q1018 PolarHBondContact OE1-NE2 3.01Å; T1015-Q1018 PolarHBondContact O-N 2.75Å
1019Q92.1Very high94.1Very high124 Ų12429.5 Ų29.558%0.57915%0.151SC*.Hα-helixtrans-68.2-32.3173.6-68.2171.88.200113.1L841 T1015 R1016 F1017 Q1021L841-Q1019 VanDerWaalsContact CD1-O 3.29Å; L841-Q1019 WeakPolarHBondContact CD1-O 3.03Å; T1015-Q1019 WeakPolarHBondContact O-CG 3.42Å; T1015-Q1019 PolarHBondContact O-N 2.92Å; R1016-Q1019 PolarHBondContact O-N 2.76Å; F1017-Q1019 VanDerWaalsContact C-N 3.29Å; F1017-Q1019 PolarHBondContact O-N 3.05Å; Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 2.9Å
1020A94.2Very high94Very high3 Ų330 Ų303%0.02516%0.156CC..THydrogen-bonded Turntrans-78.2-2.5-178.200000114.9L837 D838 L841 P921 R1016 F1017L837-A1020 CarbonylContact C-O 3.25Å; L837-A1020 VanDerWaalsContact CA-O 3.32Å; L837-A1020 WeakPolarHBondContact CA-O 3.45Å; L837-A1020 WeakPolarHBondContact CB-O 3.33Å; D838-A1020 PolarHBondContact N-O 2.92Å; L841-A1020 HydrophobicContact CB-CB 4.15Å; P921-A1020 HydrophobicContact CB-CB 3.75Å; R1016-A1020 WeakPolarHBondContact O-CB 3.5Å; R1016-A1020 PolarHBondContact O-N 3.26Å; F1017-A1020 PolarHBondContact O-N 3.42Å; F1017-A1020 VanDerWaalsContact O-N 3.16Å
1021Q94.2Very high93.9Very high44 Ų4429.4 Ų29.421%0.20615%0.152CC..BIsolated β-bridgetrans-72.7139.2177.9-57.9-166.2-2.200111.7V962 F1017 Q1019 Q1023V962-Q1021 PolarHBondContact O-NE2 3.15Å; F1017-Q1021 WeakPolarHBondContact O-CG 3.29Å; Q1019-Q1021 VanDerWaalsContact C-N 3.28Å; Q1019-Q1021 PolarHBondContact O-N 2.9Å; Q1021-Q1023 PolarHBondContact O-N 3.03Å; Q1021-Q1023 PolarHBondContact O-NE2 2.64Å
1022V94.7Very high93.9Very high15 Ų1528.3 Ų28.39%0.09114%0.141CC..PPolyproline II helixtrans-63.1136.8177.871.50000111V814 Y832 G836 E1026V814-V1022 HydrophobicContact CG1-CG1 4.11Å; V814-V1022 HydrophobicContact CG2-CG1 4.35Å; V814-V1022 HydrophobicContact CG2-CG2 4Å; Y832-V1022 HydrophobicContact CD1-CB 3.99Å; Y832-V1022 HydrophobicContact CD1-CG1 4.32Å; Y832-V1022 HydrophobicContact CD1-CG2 3.61Å; Y832-V1022 HydrophobicContact CE1-CG2 4.03Å; G836-V1022 WeakPolarHBondContact O-CG1 3.47Å; G836-V1022 PolarHBondContact O-N 3.14Å; G836-V1022 VanDerWaalsContact O-N 3.09Å; V1022-E1026 WeakPolarHBondContact CG2-OE2 3.38Å
1023Q92.9Very high93.9Very high75 Ų7526.5 Ų26.535%0.3513%0.132SC..PPolyproline II helixtrans-78.2129.3178.8-63.3-59.2-56.700111Q1021 E1026Q1021-Q1023 PolarHBondContact O-N 3.03Å; Q1021-Q1023 PolarHBondContact O-NE2 2.64Å; Q1023-E1026 WeakPolarHBondContact O-CB 3.39Å; Q1023-E1026 PolarHBondContact O-N 3.22Å
1024P93.3Very high93.8Very high33 Ų3326.6 Ų26.621%0.21413%0.133CC..THydrogen-bonded Turntrans-52.6144.6166-26.936.3000111.5Y816 E1026Y816-P1024 HydrophobicContact CD1-CB 3.59Å; Y816-P1024 HydrophobicContact CD1-CG 3.94Å; Y816-P1024 HydrophobicContact CD2-CB 4.45Å; Y816-P1024 HydrophobicContact CE1-CB 3.74Å; Y816-P1024 HydrophobicContact CE1-CG 4.25Å; Y816-P1024 HydrophobicContact CG-CB 3.97Å; P1024-E1026 VanDerWaalsContact C-N 3.34Å
1025G91.9Very high93.6Very high1 Ų124.5 Ų24.51%0.0112%0.123CC..THydrogen-bonded Turntrans87.8-10.5-175.100000114.8V814 M1027 G1409V814-G1025 PolarHBondContact O-N 3.08Å; G1025-M1027 PolarHBondContact O-N 3.07Å; G1025-G1409 WeakPolarHBondContact O-CA 3.29Å; G1025-G1409 PolarHBondContact O-N 2.85Å
1026E93.4Very high93.5Very high1 Ų122.4 Ų22.41%0.00511%0.11CC..  trans-64.9134179.1-171.5178.1-179.300112.6M813 V814 V1022 Q1023 P1024 V1028 A1654 T1656M813-E1026 VanDerWaalsContact CA-O 3.28Å; M813-E1026 WeakPolarHBondContact CA-O 3.49Å; V814-E1026 PolarHBondContact N-O 2.84Å; V1022-E1026 WeakPolarHBondContact CG2-OE2 3.38Å; Q1023-E1026 WeakPolarHBondContact O-CB 3.39Å; Q1023-E1026 PolarHBondContact O-N 3.22Å; P1024-E1026 VanDerWaalsContact C-N 3.34Å; E1026-V1028 HydrophobicContact CB-CG1 4.18Å; E1026-V1028 HydrophobicContact CG-CG1 3.95Å; E1026-V1028 PolarHBondContact O-N 3.21Å; E1026-A1654 HydrophobicContact CG-CB 4.5Å; E1026-T1656 VanDerWaalsContact OE1-CG2 3.29Å; E1026-T1656 WeakPolarHBondContact OE1-CG2 3.33Å; E1026-T1656 PolarHBondContact OE1-OG1 3.46Å; E1026-T1656 VanDerWaalsContact OE1-OG1 3.12Å
1027M93.9Very high93.2Very high12 Ų1220.6 Ų20.66%0.05910%0.103CC..  trans-8355.9-180-64.3-54.4-6100112.7E810 M813 G1025 G1029 A1030 L1031 V1396 M1408 F1653E810-M1027 WeakPolarHBondContact O-CE 3.49Å; M813-M1027 HydrophobicContact CB-CE 4.27Å; M813-M1027 HydrophobicContact CB-SD 3.61Å; G1025-M1027 PolarHBondContact O-N 3.07Å; M1027-G1029 PolarHBondContact O-N 3.19Å; M1027-A1030 HydrophobicContact CB-CB 4.2Å; M1027-A1030 PolarHBondContact O-N 2.69Å; M1027-L1031 PolarHBondContact O-N 3.19Å; M1027-V1396 HydrophobicContact CE-CG2 3.96Å; M1027-M1408 HydrophobicContact CE-CB 4.42Å; M1027-M1408 HydrophobicContact CG-CB 3.89Å; M1027-M1408 HydrophobicContact CG-SD 4.34Å; M1027-M1408 HydrophobicContact SD-CB 3.36Å; M1027-M1408 WeakPolarHBondContact SD-CB 3.36Å; M1027-M1408 HydrophobicContact SD-CG 4.49Å; M1027-F1653 HydrophobicContact CG-CE1 4.21Å
1028V95.2Very high92.7Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-54.7-27-175.9-66.50000114.5V814 V820 Y832 E1026 S1032 L1342V814-V1028 HydrophobicContact CG2-CB 4.47Å; V814-V1028 HydrophobicContact CG2-CG1 3.67Å; V814-V1028 HydrophobicContact CG2-CG2 3.93Å; V820-V1028 HydrophobicContact CG1-CG2 3.92Å; V820-V1028 HydrophobicContact CG2-CG2 4.43Å; Y832-V1028 HydrophobicContact CD1-CG1 3.95Å; Y832-V1028 HydrophobicContact CD2-CB 3.85Å; Y832-V1028 HydrophobicContact CD2-CG1 3.82Å; Y832-V1028 HydrophobicContact CD2-CG2 4.07Å; Y832-V1028 HydrophobicContact CE1-CB 4.5Å; Y832-V1028 HydrophobicContact CE1-CG1 3.65Å; Y832-V1028 HydrophobicContact CE2-CB 3.51Å; Y832-V1028 HydrophobicContact CE2-CG1 3.58Å; Y832-V1028 HydrophobicContact CE2-CG2 4.2Å; Y832-V1028 HydrophobicContact CG-CB 4.5Å; Y832-V1028 HydrophobicContact CG-CG1 3.99Å; Y832-V1028 VanDerWaalsContact CZ-CG1 3.44Å; E1026-V1028 HydrophobicContact CB-CG1 4.18Å; E1026-V1028 HydrophobicContact CG-CG1 3.95Å; E1026-V1028 PolarHBondContact O-N 3.21Å; V1028-S1032 VanDerWaalsContact O-CB 3.31Å; V1028-S1032 WeakPolarHBondContact O-CB 3.41Å; V1028-S1032 PolarHBondContact O-N 3.04Å; V1028-S1032 PolarHBondContact O-OG 3.1Å; V1028-L1342 HydrophobicContact CB-CD2 4.17Å; V1028-L1342 HydrophobicContact CG2-CD2 3.98Å; V1028-L1342 WeakPolarHBondContact O-CD2 3.38Å
1029G94.1Very high92.3Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-70.4-47.1173.100000113.5M809 V812 M1027 L1031 S1032 A1033M809-G1029 VanDerWaalsContact CB-O 3.27Å; M809-G1029 WeakPolarHBondContact CB-O 3.46Å; M809-G1029 CarbonylContact O-C 3.51Å; M809-G1029 WeakPolarHBondContact O-CA 3.41Å; V812-G1029 WeakPolarHBondContact O-CA 3.24Å; V812-G1029 PolarHBondContact O-N 2.77Å; M1027-G1029 PolarHBondContact O-N 3.19Å; G1029-L1031 VanDerWaalsContact C-N 3.35Å; G1029-S1032 PolarHBondContact O-N 3.21Å; G1029-A1033 PolarHBondContact O-N 3.04Å; G1029-A1033 VanDerWaalsContact O-N 3.14Å
1030A93.4Very high92Very high12 Ų1211.6 Ų11.610%0.0996%0.062CC..Hα-helixtrans-61.6-46.3174.400000110.2M1027 S1032 A1033 L1034M1027-A1030 HydrophobicContact CB-CB 4.2Å; M1027-A1030 PolarHBondContact O-N 2.69Å; A1030-S1032 PolarHBondContact O-N 3.3Å; A1030-A1033 PolarHBondContact O-N 3.19Å; A1030-L1034 WeakPolarHBondContact O-CD1 3.49Å; A1030-L1034 WeakPolarHBondContact O-CG 3.29Å; A1030-L1034 PolarHBondContact O-N 3.14Å
1031L93.7Very high91.4Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-50.1-56.5172.7172.955.8000112.2P494 M1027 G1029 A1033 L1034 S1035 T1656P494-L1031 HydrophobicContact CB-CD2 4.33Å; P494-L1031 HydrophobicContact CG-CD1 3.86Å; P494-L1031 HydrophobicContact CG-CD2 4.11Å; M1027-L1031 PolarHBondContact O-N 3.19Å; G1029-L1031 VanDerWaalsContact C-N 3.35Å; L1031-A1033 VanDerWaalsContact C-N 3.31Å; L1031-A1033 PolarHBondContact O-N 2.87Å; L1031-L1034 WeakPolarHBondContact O-CB 3.16Å; L1031-L1034 PolarHBondContact O-N 2.94Å; L1031-S1035 PolarHBondContact O-N 2.99Å; L1031-S1035 PolarHBondContact O-OG 3.17Å; L1031-T1656 HydrophobicContact CB-CG2 4.41Å; L1031-T1656 HydrophobicContact CD1-CG2 3.81Å; L1031-T1656 HydrophobicContact CD2-CG2 3.93Å; L1031-T1656 HydrophobicContact CG-CG2 4.23Å
1032S95Very high90.6Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-64-36.1-172.7-58.80000112.4V1028 G1029 A1030 L1034 S1035 L1036 H1339V1028-S1032 VanDerWaalsContact O-CB 3.31Å; V1028-S1032 WeakPolarHBondContact O-CB 3.41Å; V1028-S1032 PolarHBondContact O-N 3.04Å; V1028-S1032 PolarHBondContact O-OG 3.1Å; G1029-S1032 PolarHBondContact O-N 3.21Å; A1030-S1032 PolarHBondContact O-N 3.3Å; S1032-L1034 VanDerWaalsContact C-N 3.26Å; S1032-L1034 PolarHBondContact O-N 3.3Å; S1032-S1035 PolarHBondContact O-N 3.06Å; S1032-L1036 WeakPolarHBondContact O-CD1 3.02Å; S1032-L1036 VanDerWaalsContact O-CG 3.3Å; S1032-L1036 WeakPolarHBondContact O-CG 3.46Å; S1032-L1036 PolarHBondContact O-N 2.79Å; S1032-H1339 PolarHBondContact OG-ND1 3.04Å
1033A93.9Very high89.6Confident0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-59.7-35.7172.500000113.1Q802 L805 I806 M809 G1029 A1030 L1031 G1037Q802-A1033 PolarHBondContact OE1-O 3.24Å; L805-A1033 HydrophobicContact CB-CB 3.74Å; I806-A1033 HydrophobicContact CB-CB 4.48Å; I806-A1033 HydrophobicContact CG1-CB 3.94Å; M809-A1033 HydrophobicContact CB-CB 4.46Å; M809-A1033 HydrophobicContact SD-CB 4.12Å; G1029-A1033 PolarHBondContact O-N 3.04Å; G1029-A1033 VanDerWaalsContact O-N 3.14Å; A1030-A1033 PolarHBondContact O-N 3.19Å; L1031-A1033 VanDerWaalsContact C-N 3.31Å; L1031-A1033 PolarHBondContact O-N 2.87Å; A1033-G1037 PolarHBondContact O-N 2.69Å
1034L92.5Very high88.5Confident3 Ų38.3 Ų8.32%0.0165%0.046CC..Hα-helixtrans-78.6-44.8-179.4-58.2155.3000111.3L430 I806 A1030 L1031 S1032 L1036 G1037 E1038 P1658L430-L1034 WeakPolarHBondContact O-CD2 3.24Å; I806-L1034 HydrophobicContact CD1-CD2 3.73Å; I806-L1034 HydrophobicContact CG1-CD2 4.17Å; A1030-L1034 WeakPolarHBondContact O-CD1 3.49Å; A1030-L1034 WeakPolarHBondContact O-CG 3.29Å; A1030-L1034 PolarHBondContact O-N 3.14Å; L1031-L1034 WeakPolarHBondContact O-CB 3.16Å; L1031-L1034 PolarHBondContact O-N 2.94Å; S1032-L1034 VanDerWaalsContact C-N 3.26Å; S1032-L1034 PolarHBondContact O-N 3.3Å; L1034-L1036 PolarHBondContact O-N 2.8Å; L1034-L1036 VanDerWaalsContact O-N 3.12Å; L1034-G1037 PolarHBondContact O-N 3.33Å; L1034-E1038 WeakPolarHBondContact O-CB 3.45Å; L1034-E1038 PolarHBondContact O-N 3.39Å; L1034-P1658 HydrophobicContact CD1-CG 4.37Å; L1034-P1658 HydrophobicContact CD2-CG 3.63Å
1035S92.3Very high87.2Confident0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-55.3-26.7176.3-65.50000113.3Q495 L1031 S1032 P1039 V1335 H1339Q495-S1035 PolarHBondContact NE2-O 3.5Å; L1031-S1035 PolarHBondContact O-N 2.99Å; L1031-S1035 PolarHBondContact O-OG 3.17Å; S1032-S1035 PolarHBondContact O-N 3.06Å; S1035-P1039 WeakPolarHBondContact O-CD 3.46Å; S1035-P1039 VanDerWaalsContact O-CG 3.31Å; S1035-P1039 WeakPolarHBondContact O-CG 3.29Å; S1035-V1335 WeakPolarHBondContact O-CG2 3.14Å; S1035-H1339 WeakPolarHBondContact CB-CD2 3.07Å; S1035-H1339 PolarHBondContact OG-CD2 3.44Å; S1035-H1339 VanDerWaalsContact OG-CD2 3.27Å; S1035-H1339 PolarHBondContact OG-NE2 3.25Å
1036L91Very high85.7Confident5 Ų511.5 Ų11.53%0.0266%0.06CC..Hα-helixtrans-94.8-34.6-179.3-67.4170.3000114.1L805 S1032 L1034 P1039 I1328 V1335 H1339 L1340 L1343L805-L1036 HydrophobicContact CD1-CB 4.4Å; S1032-L1036 WeakPolarHBondContact O-CD1 3.02Å; S1032-L1036 VanDerWaalsContact O-CG 3.3Å; S1032-L1036 WeakPolarHBondContact O-CG 3.46Å; S1032-L1036 PolarHBondContact O-N 2.79Å; L1034-L1036 PolarHBondContact O-N 2.8Å; L1034-L1036 VanDerWaalsContact O-N 3.12Å; L1036-P1039 WeakPolarHBondContact O-CG 3.44Å; L1036-I1328 HydrophobicContact CD2-CD1 3.67Å; L1036-V1335 HydrophobicContact CD2-CG1 3.94Å; L1036-H1339 HydrophobicContact CG-CB 4.43Å; L1036-L1340 HydrophobicContact CD2-CD2 3.6Å; L1036-L1340 HydrophobicContact CD2-CG 4.19Å; L1036-L1343 HydrophobicContact CD1-CB 3.84Å; L1036-L1343 HydrophobicContact CD1-CD2 3.6Å; L1036-L1343 HydrophobicContact CD1-CG 4.33Å
1037G87.9Confident84.1Confident1 Ų112.9 Ų12.91%0.017%0.069CC..Hα-helixtrans-95.6-13.7-177.100000115.8A1033 L1034 T1041A1033-G1037 PolarHBondContact O-N 2.69Å; L1034-G1037 PolarHBondContact O-N 3.33Å; G1037-T1041 PolarHBondContact O-N 3Å; G1037-T1041 PolarHBondContact O-OG1 3.14Å
1038E83.9Confident82.1Confident35 Ų3516.7 Ų16.716%0.1649%0.085CC..Hα-helixtrans-60.1-56.5162.2-172.5-78.6150.800111.4H431 Q495 L1034 A1040 T1041 Q1042H431-E1038 HydrophobicContact CB-CG 4.16Å; Q495-E1038 PolarHBondContact NE2-OE2 2.96Å; L1034-E1038 WeakPolarHBondContact O-CB 3.45Å; L1034-E1038 PolarHBondContact O-N 3.39Å; E1038-A1040 VanDerWaalsContact C-N 3.28Å; E1038-A1040 PolarHBondContact O-N 3.01Å; E1038-T1041 WeakPolarHBondContact O-CA 3.49Å; E1038-T1041 WeakPolarHBondContact O-CB 3.38Å; E1038-T1041 PolarHBondContact O-N 2.66Å; E1038-Q1042 PolarHBondContact O-N 2.93Å; E1038-Q1042 WeakPolarHBondContact OE1-CG 3.29Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.06Å
1039P85.7Confident80Confident3 Ų323.2 Ų23.22%0.01912%0.116CC..Hα-helixtrans-68.6-28179.826.6-33.7000112S1035 L1036 T1041 Q1042 M1043 I1328 V1335S1035-P1039 WeakPolarHBondContact O-CD 3.46Å; S1035-P1039 VanDerWaalsContact O-CG 3.31Å; S1035-P1039 WeakPolarHBondContact O-CG 3.29Å; L1036-P1039 WeakPolarHBondContact O-CG 3.44Å; P1039-T1041 PolarHBondContact O-N 3.02Å; P1039-Q1042 PolarHBondContact O-N 3.47Å; P1039-Q1042 VanDerWaalsContact O-N 3.11Å; P1039-M1043 WeakPolarHBondContact O-CG 3.29Å; P1039-M1043 PolarHBondContact O-N 2.94Å; P1039-I1328 HydrophobicContact CB-CG2 4.49Å; P1039-I1328 HydrophobicContact CG-CG2 4.49Å; P1039-V1335 HydrophobicContact CG-CG2 3.9Å
1040A85.6Confident78Confident0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-60-31.3169.400000112.8T798 E1038 M1043 T1044 V1062 L1065T798-A1040 VanDerWaalsContact CG2-O 3.22Å; T798-A1040 WeakPolarHBondContact CG2-O 3.34Å; E1038-A1040 VanDerWaalsContact C-N 3.28Å; E1038-A1040 PolarHBondContact O-N 3.01Å; A1040-M1043 HydrophobicContact CB-CE 4.34Å; A1040-T1044 PolarHBondContact O-OG1 3.13Å; A1040-V1062 WeakPolarHBondContact O-CG2 3.09Å; A1040-L1065 HydrophobicContact CB-CD2 3.66Å
1041T81.6Confident75.7Confident9 Ų929 Ų296%0.05514%0.142CC..Hα-helixtrans-79.6-35.5172.4-52.70000111.8L430 T798 G1037 E1038 P1039 T1044 L1045L430-T1041 HydrophobicContact CD1-CG2 3.76Å; T798-T1041 WeakPolarHBondContact CB-OG1 3.11Å; T798-T1041 PolarHBondContact OG1-OG1 2.88Å; G1037-T1041 PolarHBondContact O-N 3Å; G1037-T1041 PolarHBondContact O-OG1 3.14Å; E1038-T1041 WeakPolarHBondContact O-CA 3.49Å; E1038-T1041 WeakPolarHBondContact O-CB 3.38Å; E1038-T1041 PolarHBondContact O-N 2.66Å; P1039-T1041 PolarHBondContact O-N 3.02Å; T1041-T1044 VanDerWaalsContact O-CB 3.26Å; T1041-T1044 WeakPolarHBondContact O-CB 3.31Å; T1041-T1044 PolarHBondContact O-N 2.69Å; T1041-T1044 VanDerWaalsContact O-N 3.1Å; T1041-L1045 PolarHBondContact O-N 2.96Å; T1041-L1045 VanDerWaalsContact O-N 3.13Å
1042Q76Confident73.3Confident47 Ų4729.3 Ų29.322%0.2215%0.145CC..Hα-helixtrans-63.3-41.9173.6-59.1-64.12.600112.5E1038 P1039 T1044 L1045 N1046E1038-Q1042 PolarHBondContact O-N 2.93Å; E1038-Q1042 WeakPolarHBondContact OE1-CG 3.29Å; E1038-Q1042 PolarHBondContact OE1-NE2 3.06Å; P1039-Q1042 PolarHBondContact O-N 3.47Å; P1039-Q1042 VanDerWaalsContact O-N 3.11Å; Q1042-T1044 PolarHBondContact O-N 2.68Å; Q1042-T1044 VanDerWaalsContact O-N 3.09Å; Q1042-L1045 PolarHBondContact O-N 3.23Å; Q1042-N1046 WeakPolarHBondContact O-CB 3.46Å; Q1042-N1046 PolarHBondContact O-N 2.81Å
1043M73.7Confident71.1Confident13 Ų1330.9 Ų30.96%0.06415%0.154CC..Hα-helixtrans-53.7-32172-74-164.9-78.300112.9P1039 A1040 T1047 V1327 D1331P1039-M1043 WeakPolarHBondContact O-CG 3.29Å; P1039-M1043 PolarHBondContact O-N 2.94Å; A1040-M1043 HydrophobicContact CB-CE 4.34Å; M1043-T1047 PolarHBondContact O-N 2.94Å; M1043-T1047 PolarHBondContact O-OG1 2.75Å; M1043-V1327 HydrophobicContact CE-CG1 4.35Å; M1043-D1331 HydrophobicContact CG-CB 3.87Å; M1043-D1331 HydrophobicContact SD-CB 4.48Å
1044T71.3Confident68.5Low0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-73.4-44.7175.6-670000112.2T791 K794 T795 T798 A1040 T1041 Q1042 T1047T791-T1044 HydrophobicContact CG2-CG2 4.47Å; T791-T1044 PolarHBondContact OG1-O 3.2Å; K794-T1044 HydrophobicContact CB-CG2 3.44Å; K794-T1044 VanDerWaalsContact CB-CG2 3.44Å; K794-T1044 WeakPolarHBondContact CB-OG1 3.26Å; T795-T1044 WeakPolarHBondContact OG1-CG2 3.31Å; T798-T1044 WeakPolarHBondContact CG2-OG1 3.46Å; A1040-T1044 PolarHBondContact O-OG1 3.13Å; T1041-T1044 VanDerWaalsContact O-CB 3.26Å; T1041-T1044 WeakPolarHBondContact O-CB 3.31Å; T1041-T1044 PolarHBondContact O-N 2.69Å; T1041-T1044 VanDerWaalsContact O-N 3.1Å; Q1042-T1044 PolarHBondContact O-N 2.68Å; Q1042-T1044 VanDerWaalsContact O-N 3.09Å; T1044-T1047 VanDerWaalsContact O-CB 3.27Å; T1044-T1047 WeakPolarHBondContact O-CB 3.43Å; T1044-T1047 PolarHBondContact O-N 3.3Å; T1044-T1047 PolarHBondContact O-OG1 3.26Å
1045L64.9Low66Low53 Ų5336.2 Ų36.228%0.27720%0.197SC..Hα-helixtrans-67.5-43.5178.7-62.9172000110.8T791 T1041 Q1042 T1047 F1048T791-L1045 HydrophobicContact CG2-CD2 4.1Å; T1041-L1045 PolarHBondContact O-N 2.96Å; T1041-L1045 VanDerWaalsContact O-N 3.13Å; Q1042-L1045 PolarHBondContact O-N 3.23Å; L1045-T1047 PolarHBondContact O-N 2.76Å; L1045-F1048 WeakPolarHBondContact O-CB 3.45Å; L1045-F1048 PolarHBondContact O-N 3.1Å; L1045-F1048 VanDerWaalsContact O-N 3.1Å
1046N61.3Low63.7Low47 Ų4739 Ų3925%0.25121%0.209SC..Hα-helixtrans-63.4-22.6175.8-69.6-17000113.3Q1042 F1048 H1049 Y1050 D1331Q1042-N1046 WeakPolarHBondContact O-CB 3.46Å; Q1042-N1046 PolarHBondContact O-N 2.81Å; N1046-F1048 PolarHBondContact O-N 3.38Å; N1046-H1049 PolarHBondContact O-N 2.71Å; N1046-Y1050 HydrophobicContact CB-CD2 4.43Å; N1046-Y1050 HydrophobicContact CB-CE2 4.14Å; N1046-Y1050 WeakPolarHBondContact O-CD2 3.41Å; N1046-Y1050 PolarHBondContact O-N 3.03Å; N1046-D1331 PolarHBondContact ND2-OD2 3.18Å
1047T58.8Low61.6Low31 Ų3144.1 Ų44.119%0.1924%0.236CC..Hα-helixtrans-54.2-35.1171.9-61.60000111D790 M1043 T1044 L1045 H1049 Y1050 A1051D790-T1047 HydrophobicContact CB-CG2 4.17Å; D790-T1047 WeakPolarHBondContact OD2-CG2 3.39Å; M1043-T1047 PolarHBondContact O-N 2.94Å; M1043-T1047 PolarHBondContact O-OG1 2.75Å; T1044-T1047 VanDerWaalsContact O-CB 3.27Å; T1044-T1047 WeakPolarHBondContact O-CB 3.43Å; T1044-T1047 PolarHBondContact O-N 3.3Å; T1044-T1047 PolarHBondContact O-OG1 3.26Å; L1045-T1047 PolarHBondContact O-N 2.76Å; T1047-H1049 PolarHBondContact O-N 3.48Å; T1047-Y1050 PolarHBondContact O-N 2.82Å; T1047-A1051 PolarHBondContact O-N 2.95Å
1048F52.1Low59.4Low91 Ų9147.5 Ų47.540%0.39926%0.257SS..Hα-helixtrans-64.9-36176.4-175-99.5000113.1L788 L1045 N1046 Y1050 A1051L788-F1048 HydrophobicContact CD2-CD2 4.26Å; L788-F1048 HydrophobicContact CD2-CE2 3.75Å; L788-F1048 HydrophobicContact CG-CE2 4.03Å; L1045-F1048 WeakPolarHBondContact O-CB 3.45Å; L1045-F1048 PolarHBondContact O-N 3.1Å; L1045-F1048 VanDerWaalsContact O-N 3.1Å; N1046-F1048 PolarHBondContact O-N 3.38Å; F1048-Y1050 VanDerWaalsContact C-N 3.33Å; F1048-A1051 WeakPolarHBondContact O-CB 3.5Å; F1048-A1051 PolarHBondContact O-N 3Å
1049H51.5Low57.9Low137 Ų13748.9 Ų48.963%0.63427%0.268SS*.Hα-helixtrans-76.1-18.7178.2-64.8-44.9000113.8N1046 T1047N1046-H1049 PolarHBondContact O-N 2.71Å; T1047-H1049 PolarHBondContact O-N 3.48Å
1050Y51.5Low56.9Low105 Ų10551 Ų5141%0.41228%0.278SS..Hα-helixtrans-104.21.3174.9-59-60.9000113.4N1046 T1047 F1048 G1052 V1053 K1056 D1331N1046-Y1050 HydrophobicContact CB-CD2 4.43Å; N1046-Y1050 HydrophobicContact CB-CE2 4.14Å; N1046-Y1050 WeakPolarHBondContact O-CD2 3.41Å; N1046-Y1050 PolarHBondContact O-N 3.03Å; T1047-Y1050 PolarHBondContact O-N 2.82Å; F1048-Y1050 VanDerWaalsContact C-N 3.33Å; Y1050-G1052 PolarHBondContact O-N 3.44Å; Y1050-V1053 PolarHBondContact O-N 2.79Å; Y1050-K1056 HydrophobicContact CD2-CD 4.14Å; Y1050-K1056 HydrophobicContact CE2-CD 4.5Å; Y1050-K1056 HydrophobicContact CG-CD 4.33Å; Y1050-D1331 WeakPolarHBondContact CE2-OD1 3.39Å
1051A46.1Very low56.5Low30 Ų3051.3 Ų51.325%0.24828%0.282CS..THydrogen-bonded Turntrans-55.8127.6-179.600000110.7T1047 F1048T1047-A1051 PolarHBondContact O-N 2.95Å; F1048-A1051 WeakPolarHBondContact O-CB 3.5Å; F1048-A1051 PolarHBondContact O-N 3Å
1052G43.5Very low56.5Low5 Ų551.1 Ų51.15%0.05228%0.281CS..THydrogen-bonded Turntrans84.5-4.2-175.600000116.3N733 Y1050N733-G1052 PolarHBondContact N-O 3.25Å; N733-G1052 PolarHBondContact ND2-O 2.9Å; Y1050-G1052 PolarHBondContact O-N 3.44Å
1053V47.7Very low56.8Low33 Ų3350.1 Ų50.120%0.228%0.278CS..  trans-99.1122.2178.5-173.60000111.5Y1050 A1055Y1050-V1053 PolarHBondContact O-N 2.79Å; V1053-A1055 HydrophobicContact CG1-CB 4.17Å; V1053-A1055 PolarHBondContact O-N 3.25Å
1054S40.5Very low57.4Low30 Ų3050.2 Ų50.221%0.2128%0.278CS..THydrogen-bonded Turntrans-62.4-11.1-173.5-37.30000115.8N683 N733 K1056N683-S1054 PolarHBondContact OD1-OG 2.78Å; N733-S1054 PolarHBondContact ND2-OG 2.95Å; N733-S1054 PolarHBondContact OD1-OG 2.79Å; S1054-K1056 VanDerWaalsContact C-N 3.3Å; S1054-K1056 PolarHBondContact O-N 2.85Å
1055A38Very low58.3Low85 Ų8550.5 Ų50.570%0.70228%0.28SS*.THydrogen-bonded Turntrans-75.4-4.7-165.500000115.9V1053V1053-A1055 HydrophobicContact CG1-CB 4.17Å; V1053-A1055 PolarHBondContact O-N 3.25Å
1056K45.2Very low59.5Low58 Ų5851.3 Ų51.325%0.25228%0.281SS..SBendtrans-128.5111.6-179.9-73.7-174.2169.2169.60111.8Y1050 S1054 V1058 F1330 D1331Y1050-K1056 HydrophobicContact CD2-CD 4.14Å; Y1050-K1056 HydrophobicContact CE2-CD 4.5Å; Y1050-K1056 HydrophobicContact CG-CD 4.33Å; S1054-K1056 VanDerWaalsContact C-N 3.3Å; S1054-K1056 PolarHBondContact O-N 2.85Å; K1056-V1058 PolarHBondContact O-N 2.9Å; K1056-F1330 HydrophobicContact CB-CE1 3.94Å; K1056-F1330 HydrophobicContact CB-CZ 3.87Å; K1056-F1330 HydrophobicContact CD-CE1 3.91Å; K1056-F1330 HydrophobicContact CD-CZ 4.33Å; K1056-F1330 HydrophobicContact CG-CE1 3.77Å; K1056-F1330 HydrophobicContact CG-CZ 3.69Å; K1056-D1331 IonicContact NZ-OD1 3.13Å; K1056-D1331 PolarHBondContact NZ-OD1 3.37Å
1057N47.3Very low60.9Low113 Ų11350.1 Ų50.160%0.60427%0.274SS*.  trans-62.8120.5177.4-75.7-20.8000111.5T1059 L1060N1057-T1059 PolarHBondContact O-N 3Å; N1057-L1060 HydrophobicContact CB-CD1 4.3Å; N1057-L1060 HydrophobicContact CB-CG 4.45Å; N1057-L1060 WeakPolarHBondContact O-CB 3.43Å; N1057-L1060 PolarHBondContact O-N 3.31Å
1058V41.9Very low62.5Low72 Ų7248.8 Ų48.844%0.43627%0.266SS..THydrogen-bonded Turntrans-64.2-14.5-173.4-1720000113.6K1056 L1060K1056-V1058 PolarHBondContact O-N 2.9Å; V1058-L1060 VanDerWaalsContact C-N 3.35Å
1059T51.9Low64.4Low64 Ų6444.5 Ų44.539%0.39325%0.247SC..THydrogen-bonded Turntrans-72-24.4172.846.40000113.7N1057 T1077N1057-T1059 PolarHBondContact O-N 3Å; T1059-T1077 HydrophobicContact CG2-CG2 4.42Å
1060L64.3Low66.3Low47 Ų4740.7 Ų40.725%0.24623%0.231CC..THydrogen-bonded Turntrans-83.5171.8179.6-62.5175.4000112.1N1057 V1058 P1063 F1330N1057-L1060 HydrophobicContact CB-CD1 4.3Å; N1057-L1060 HydrophobicContact CB-CG 4.45Å; N1057-L1060 WeakPolarHBondContact O-CB 3.43Å; N1057-L1060 PolarHBondContact O-N 3.31Å; V1058-L1060 VanDerWaalsContact C-N 3.35Å; L1060-P1063 WeakPolarHBondContact O-CD 3.22Å; L1060-F1330 HydrophobicContact CB-CD1 4.33Å; L1060-F1330 HydrophobicContact CB-CE1 4.1Å; L1060-F1330 HydrophobicContact CB-CZ 4.31Å; L1060-F1330 HydrophobicContact CD1-CD2 3.97Å; L1060-F1330 HydrophobicContact CD1-CE1 4.3Å; L1060-F1330 HydrophobicContact CD1-CE2 3.53Å; L1060-F1330 HydrophobicContact CD1-CZ 3.7Å
1061G76.6Confident68.2Low7 Ų737.3 Ų37.37%0.07222%0.221CC..THydrogen-bonded Turntrans76.6-135.7-175.200000112.6P1063 R1064 L1065 V1327G1061-P1063 VanDerWaalsContact C-CD 3.48Å; G1061-R1064 PolarHBondContact O-N 3.29Å; G1061-R1064 VanDerWaalsContact O-N 3.15Å; G1061-L1065 PolarHBondContact O-N 2.91Å; G1061-V1327 WeakPolarHBondContact O-CG1 3.22Å
1062V82.4Confident70.4Confident5 Ų538.1 Ų38.13%0.0323%0.225CC..Hα-helixtrans-54.5-40.1-172-175.20000114.6T798 I801 A1040 L1065 K1066T798-V1062 HydrophobicContact CG2-CG1 3.92Å; T798-V1062 HydrophobicContact CG2-CG2 3.78Å; I801-V1062 HydrophobicContact CD1-CG1 3.98Å; A1040-V1062 WeakPolarHBondContact O-CG2 3.09Å; V1062-L1065 PolarHBondContact O-N 3.34Å; V1062-K1066 VanDerWaalsContact O-CB 3.26Å; V1062-K1066 WeakPolarHBondContact O-CB 3.31Å; V1062-K1066 PolarHBondContact O-N 3.43Å
1063P82.8Confident72.6Confident26 Ų2645.3 Ų45.317%0.16926%0.255CS..Hα-helixtrans-61.7-46.2175.8-23.435.3000113.1L1060 G1061 K1066 E1067L1060-P1063 WeakPolarHBondContact O-CD 3.22Å; G1061-P1063 VanDerWaalsContact C-CD 3.48Å; P1063-K1066 WeakPolarHBondContact O-CB 3.24Å; P1063-K1066 PolarHBondContact O-N 2.82Å; P1063-E1067 PolarHBondContact O-N 2.98Å
1064R86.5Confident74.6Confident15 Ų1551.7 Ų51.76%0.05728%0.283CS..Hα-helixtrans-65.8-42.8176.4-176.761.3-179.2170.40.8111.6G1061 K1066 E1067 I1068 N1302 E1323 V1327G1061-R1064 PolarHBondContact O-N 3.29Å; G1061-R1064 VanDerWaalsContact O-N 3.15Å; R1064-K1066 VanDerWaalsContact C-N 3.27Å; R1064-K1066 PolarHBondContact O-N 2.8Å; R1064-E1067 PolarHBondContact O-N 3.06Å; R1064-E1067 VanDerWaalsContact O-N 3.09Å; R1064-I1068 HydrophobicContact CG-CD1 3.97Å; R1064-I1068 WeakPolarHBondContact O-CG1 3.38Å; R1064-I1068 PolarHBondContact O-N 2.98Å; R1064-N1302 PolarHBondContact NH2-O 3.43Å; R1064-E1323 IonicContact CZ-OE2 3.59Å; R1064-E1323 VanDerWaalsContact CZ-OE2 3.26Å; R1064-E1323 IonicContact NE-OE2 2.67Å; R1064-E1323 PolarHBondContact NE-OE2 2.84Å; R1064-E1323 VanDerWaalsContact NH2-CD 3.3Å; R1064-E1323 IonicContact NH2-OE1 3.46Å; R1064-E1323 IonicContact NH2-OE2 3.93Å; R1064-E1323 PolarHBondContact NH2-OE2 3.27Å; R1064-V1327 HydrophobicContact CB-CG2 3.96Å; R1064-V1327 HydrophobicContact CG-CG2 3.52Å
1065L88.8Confident76.8Confident7 Ų751.1 Ų51.14%0.03728%0.278CS..Hα-helixtrans-56-42.6174.1-171.462000111.6A1040 G1061 V1062 I1068 I1069 I1324 V1327A1040-L1065 HydrophobicContact CB-CD2 3.66Å; G1061-L1065 PolarHBondContact O-N 2.91Å; V1062-L1065 PolarHBondContact O-N 3.34Å; L1065-I1068 PolarHBondContact O-N 2.94Å; L1065-I1069 HydrophobicContact CD1-CD1 3.75Å; L1065-I1069 HydrophobicContact CD1-CG1 4.23Å; L1065-I1069 HydrophobicContact CD2-CD1 4.37Å; L1065-I1069 HydrophobicContact CG-CD1 3.68Å; L1065-I1069 HydrophobicContact CG-CG1 4.4Å; L1065-I1069 VanDerWaalsContact O-CB 3.29Å; L1065-I1069 WeakPolarHBondContact O-CB 3.28Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.33Å; L1065-I1069 PolarHBondContact O-N 2.89Å; L1065-I1324 HydrophobicContact CD1-CG2 4.33Å; L1065-V1327 HydrophobicContact CB-CG1 3.97Å; L1065-V1327 HydrophobicContact CD1-CG1 4.49Å
1066K90.1Very high78.9Confident69 Ų6953.7 Ų53.730%0.327%0.273SS..Hα-helixtrans-66-37.2176.6177.9-177.7176.4-175.20112.3E797 I801 V1062 P1063 R1064 N1070E797-K1066 IonicContact OE1-NZ 3.7Å; E797-K1066 PolarHBondContact OE1-NZ 3.29Å; E797-K1066 WeakPolarHBondContact OE2-CD 3.45Å; E797-K1066 IonicContact OE2-NZ 3.71Å; E797-K1066 PolarHBondContact OE2-NZ 3.12Å; I801-K1066 HydrophobicContact CD1-CB 4.33Å; V1062-K1066 VanDerWaalsContact O-CB 3.26Å; V1062-K1066 WeakPolarHBondContact O-CB 3.31Å; V1062-K1066 PolarHBondContact O-N 3.43Å; P1063-K1066 WeakPolarHBondContact O-CB 3.24Å; P1063-K1066 PolarHBondContact O-N 2.82Å; R1064-K1066 VanDerWaalsContact C-N 3.27Å; R1064-K1066 PolarHBondContact O-N 2.8Å; K1066-N1070 WeakPolarHBondContact O-CB 3.45Å; K1066-N1070 PolarHBondContact O-N 2.99Å; K1066-N1070 VanDerWaalsContact O-N 3.09Å; K1066-N1070 PolarHBondContact O-ND2 2.95Å; K1066-N1070 VanDerWaalsContact O-ND2 3.11Å; K1066-N1070 PolarHBondContact O-OD1 3.38Å
1067E90.5Very high80.5Confident22 Ų2254 Ų5410%0.10328%0.28CS..Hα-helixtrans-65.9-44.4174.9-75.1166.2-142.400111.8P1063 R1064 N1070 V1071 S1072 K1076P1063-E1067 PolarHBondContact O-N 2.98Å; R1064-E1067 PolarHBondContact O-N 3.06Å; R1064-E1067 VanDerWaalsContact O-N 3.09Å; E1067-N1070 PolarHBondContact O-N 3.47Å; E1067-V1071 PolarHBondContact O-N 2.88Å; E1067-V1071 VanDerWaalsContact O-N 3.16Å; E1067-S1072 PolarHBondContact O-N 2.81Å; E1067-S1072 VanDerWaalsContact O-N 3.11Å; E1067-K1076 WeakPolarHBondContact OE1-CD 3.47Å; E1067-K1076 WeakPolarHBondContact OE1-CE 3.09Å; E1067-K1076 WeakPolarHBondContact OE1-CG 3.31Å; E1067-K1076 IonicContact OE1-NZ 3.02Å; E1067-K1076 PolarHBondContact OE1-NZ 3.34Å; E1067-K1076 PolarHBondContact OE2-N 2.84Å
1068I92.8Very high82.4Confident4 Ų450.2 Ų50.22%0.02126%0.262CS..Hα-helixtrans-63.8-53.9176.4-63.1159.1000111.4R1064 L1065 N1070 V1071 I1304 L1320 E1323 I1324 V1327R1064-I1068 HydrophobicContact CG-CD1 3.97Å; R1064-I1068 WeakPolarHBondContact O-CG1 3.38Å; R1064-I1068 PolarHBondContact O-N 2.98Å; L1065-I1068 PolarHBondContact O-N 2.94Å; I1068-N1070 PolarHBondContact O-N 2.82Å; I1068-V1071 PolarHBondContact O-N 3.36Å; I1068-I1304 HydrophobicContact CG1-CD1 4.23Å; I1068-I1304 HydrophobicContact CG2-CD1 3.95Å; I1068-L1320 HydrophobicContact CG2-CD2 3.72Å; I1068-E1323 HydrophobicContact CD1-CB 3.85Å; I1068-I1324 HydrophobicContact CD1-CG1 4.48Å; I1068-I1324 HydrophobicContact CG2-CD1 4.11Å; I1068-I1324 HydrophobicContact CG2-CG1 3.85Å; I1068-V1327 HydrophobicContact CD1-CG2 4.2Å
1069I91.7Very high84.4Confident1 Ų148 Ų481%0.00525%0.25CC..Hα-helixtrans-64.9-24.4-177.8-68.1179.5000112I801 L805 L1065 I1356I801-I1069 HydrophobicContact CG2-CD1 3.87Å; L805-I1069 HydrophobicContact CD2-CD1 4.15Å; L1065-I1069 HydrophobicContact CD1-CD1 3.75Å; L1065-I1069 HydrophobicContact CD1-CG1 4.23Å; L1065-I1069 HydrophobicContact CD2-CD1 4.37Å; L1065-I1069 HydrophobicContact CG-CD1 3.68Å; L1065-I1069 HydrophobicContact CG-CG1 4.4Å; L1065-I1069 VanDerWaalsContact O-CB 3.29Å; L1065-I1069 WeakPolarHBondContact O-CB 3.28Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.33Å; L1065-I1069 PolarHBondContact O-N 2.89Å; I1069-I1356 HydrophobicContact CG2-CB 3.75Å; I1069-I1356 HydrophobicContact CG2-CG1 4.35Å; I1069-I1356 HydrophobicContact CG2-CG2 4.36Å; I1069-I1356 PolarHBondContact O-N 2.87Å
1070N92.1Very high86.2Confident57 Ų5745 Ų4531%0.30523%0.231SC..Hα-helixtrans-82.4-17.9171.8-71.6-11.7000113.9R804 K1066 E1067 I1068 A1355R804-N1070 VanDerWaalsContact CZ-OD1 3.27Å; R804-N1070 PolarHBondContact NH1-OD1 3.2Å; R804-N1070 PolarHBondContact NH2-OD1 3.18Å; K1066-N1070 WeakPolarHBondContact O-CB 3.45Å; K1066-N1070 PolarHBondContact O-N 2.99Å; K1066-N1070 VanDerWaalsContact O-N 3.09Å; K1066-N1070 PolarHBondContact O-ND2 2.95Å; K1066-N1070 VanDerWaalsContact O-ND2 3.11Å; K1066-N1070 PolarHBondContact O-OD1 3.38Å; E1067-N1070 PolarHBondContact O-N 3.47Å; I1068-N1070 PolarHBondContact O-N 2.82Å; N1070-A1355 WeakPolarHBondContact O-CB 3.46Å
1071V92.6Very high87.4Confident33 Ų3343 Ų4320%0.222%0.221CC..THydrogen-bonded Turntrans5165-164.8-170.10000110.4E1067 I1068 K1073 M1347 L1353 A1355E1067-V1071 PolarHBondContact O-N 2.88Å; E1067-V1071 VanDerWaalsContact O-N 3.16Å; I1068-V1071 PolarHBondContact O-N 3.36Å; V1071-K1073 PolarHBondContact O-N 2.9Å; V1071-M1347 HydrophobicContact CG2-CE 3.78Å; V1071-L1353 HydrophobicContact CG1-CB 4.16Å; V1071-L1353 HydrophobicContact CG1-CD1 3.8Å; V1071-L1353 HydrophobicContact CG2-CB 4.45Å; V1071-A1355 HydrophobicContact CB-CB 4.05Å; V1071-A1355 HydrophobicContact CG2-CB 3.86Å
1072S91.4Very high88.2Confident47 Ų4742.7 Ų42.733%0.32922%0.218SC..  trans-66.6128.6177.1-163.40000111.1E1067 Q1074E1067-S1072 PolarHBondContact O-N 2.81Å; E1067-S1072 VanDerWaalsContact O-N 3.11Å; S1072-Q1074 PolarHBondContact O-N 3.39Å; S1072-Q1074 PolarHBondContact OG-N 2.95Å; S1072-Q1074 PolarHBondContact OG-O 3.11Å
1073K90.4Very high88.7Confident157 Ų15743.2 Ų43.268%0.68322%0.219SC*.SBendtrans-71.2-10.5171-83.4-173161.7-77.20114.2V1071V1071-K1073 PolarHBondContact O-N 2.9Å
1074Q88.8Confident89.3Confident167 Ų16742 Ų4278%0.7821%0.211SC*.SBendtrans-138.997.1176.6-72.5177.5-31.200106.1S1072S1072-Q1074 PolarHBondContact O-N 3.39Å; S1072-Q1074 PolarHBondContact OG-N 2.95Å; S1072-Q1074 PolarHBondContact OG-O 3.11Å
1075P86.3Confident89.5Confident17 Ų1743.4 Ų43.411%0.1122%0.222CC..  trans-68156167.330.5-34.2000109.4T1077 P1078 D1303P1075-T1077 VanDerWaalsContact C-N 3.3Å; P1075-T1077 PolarHBondContact O-N 2.93Å; P1075-P1078 HydrophobicContact CG-CB 4.05Å; P1075-D1303 WeakPolarHBondContact CD-OD2 3.28Å; P1075-D1303 HydrophobicContact CG-CB 4.47Å
1076K81.6Confident89.5Confident139 Ų13946 Ų4660%0.60425%0.251SS*.SBendtrans-72-24-179.7-72.7179.6-165.3142.20114.7E1067E1067-K1076 WeakPolarHBondContact OE1-CD 3.47Å; E1067-K1076 WeakPolarHBondContact OE1-CE 3.09Å; E1067-K1076 WeakPolarHBondContact OE1-CG 3.31Å; E1067-K1076 IonicContact OE1-NZ 3.02Å; E1067-K1076 PolarHBondContact OE1-NZ 3.34Å; E1067-K1076 PolarHBondContact OE2-N 2.84Å
1077T79.7Confident89.5Confident66 Ų6645.5 Ų45.541%0.40526%0.255SS..SBendtrans-135.871.1-176.853.90000108.5T1059 P1075 S1079 N1302T1059-T1077 HydrophobicContact CG2-CG2 4.42Å; P1075-T1077 VanDerWaalsContact C-N 3.3Å; P1075-T1077 PolarHBondContact O-N 2.93Å; T1077-S1079 PolarHBondContact O-N 3.32Å; T1077-N1302 PolarHBondContact O-ND2 3.48Å; T1077-N1302 PolarHBondContact O-OD1 3.38Å
1078P86.2Confident89.5Confident32 Ų3244.5 Ų44.521%0.20825%0.251CS..  trans-62.8128.517627.1-32.9000109.7P1075 G1282 T1283 N1302P1075-P1078 HydrophobicContact CG-CB 4.05Å; P1078-G1282 PolarHBondContact O-N 2.96Å; P1078-T1283 HydrophobicContact CB-CG2 3.94Å; P1078-N1302 WeakPolarHBondContact CA-OD1 3.42Å
1079S85.4Confident89.4Confident27 Ų2744.4 Ų44.419%0.18925%0.251CS..BIsolated β-bridgetrans-153.2130.1-178.8-1670000112.2T1077 T1280 N1302T1077-S1079 PolarHBondContact O-N 3.32Å; S1079-T1280 WeakPolarHBondContact CA-O 3.31Å; S1079-T1280 VanDerWaalsContact CB-O 3.27Å; S1079-T1280 WeakPolarHBondContact CB-O 3.38Å; S1079-T1280 PolarHBondContact OG-O 2.82Å; S1079-N1302 PolarHBondContact N-OD1 2.86Å; S1079-N1302 PolarHBondContact O-N 3.27Å; S1079-N1302 PolarHBondContact O-OD1 3.46Å
1080L89.7Confident89.2Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-87.4140.3159.4-52.3168.3000110.1I1082 I1246 E1279 T1280 T1283 L1285 V1288 Y1300L1080-I1082 HydrophobicContact CB-CG1 3.98Å; L1080-I1246 HydrophobicContact CD1-CD1 3.92Å; L1080-E1279 WeakPolarHBondContact O-CA 3.38Å; L1080-T1280 WeakPolarHBondContact CA-OG1 3.12Å; L1080-T1280 VanDerWaalsContact CB-OG1 3.27Å; L1080-T1280 WeakPolarHBondContact CB-OG1 3.5Å; L1080-T1280 PolarHBondContact N-OG1 3.31Å; L1080-T1280 PolarHBondContact O-N 3.39Å; L1080-T1280 PolarHBondContact O-OG1 2.84Å; L1080-T1283 HydrophobicContact CD2-CG2 4.16Å; L1080-T1283 HydrophobicContact CG-CG2 4.21Å; L1080-L1285 HydrophobicContact CD2-CB 3.91Å; L1080-L1285 HydrophobicContact CD2-CD1 4.01Å; L1080-V1288 HydrophobicContact CD1-CB 3.98Å; L1080-V1288 HydrophobicContact CD1-CG1 4.19Å; L1080-V1288 HydrophobicContact CD1-CG2 3.61Å; L1080-Y1300 CarbonylContact C-O 3.53Å; L1080-Y1300 WeakPolarHBondContact CA-O 3.49Å
1081T89.7Confident89.2Confident6 Ų653.9 Ų53.94%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-102.9113158.1-56.40000108.3F1083 I1277 E1279 T1299 Y1300T1081-F1083 HydrophobicContact CG2-CD2 4.49Å; T1081-F1083 HydrophobicContact CG2-CE2 3.89Å; T1081-F1083 HydrophobicContact CG2-CZ 4.21Å; T1081-I1277 HydrophobicContact CG2-CD1 4.32Å; T1081-E1279 HydrophobicContact CG2-CG 4.33Å; T1081-T1299 WeakPolarHBondContact O-CA 3.36Å; T1081-Y1300 VanDerWaalsContact CB-CE1 3.44Å; T1081-Y1300 HydrophobicContact CG2-CE1 3.95Å; T1081-Y1300 PolarHBondContact N-O 2.99Å; T1081-Y1300 PolarHBondContact O-N 3.42Å; T1081-Y1300 PolarHBondContact OG1-OH 3Å
1082I92.5Very high89Confident0 Ų054 Ų540%029%0.291CS..EExtended strand (participates in β ladder)trans-103.1122.3-173.9-46.8173.9000108.3L1080 I1102 L1278 T1280 V1288 V1294 T1299L1080-I1082 HydrophobicContact CB-CG1 3.98Å; I1082-I1102 HydrophobicContact CD1-CD1 3.98Å; I1082-I1102 HydrophobicContact CD1-CG2 4.37Å; I1082-L1278 HydrophobicContact CB-CB 4.18Å; I1082-L1278 PolarHBondContact N-O 2.77Å; I1082-L1278 PolarHBondContact O-N 3.31Å; I1082-T1280 HydrophobicContact CD1-CG2 3.7Å; I1082-T1280 HydrophobicContact CG1-CG2 4.44Å; I1082-V1288 HydrophobicContact CD1-CG1 3.62Å; I1082-V1288 HydrophobicContact CD1-CG2 4.4Å; I1082-V1288 HydrophobicContact CG1-CG1 3.89Å; I1082-V1288 HydrophobicContact CG2-CG1 4.04Å; I1082-V1294 HydrophobicContact CG2-CB 4.4Å; I1082-V1294 HydrophobicContact CG2-CG1 3.68Å; I1082-V1294 HydrophobicContact CG2-CG2 3.93Å; I1082-T1299 HydrophobicContact CB-CG2 4.34Å; I1082-T1299 HydrophobicContact CG1-CG2 4.28Å; I1082-T1299 HydrophobicContact CG2-CG2 4.23Å
1083F93.3Very high88.9Confident15 Ų1556.6 Ų56.67%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-94.9146173.5-68.9-94.6000109.2T1081 K1259 I1277 D1295 R1298 T1299 Y1300T1081-F1083 HydrophobicContact CG2-CD2 4.49Å; T1081-F1083 HydrophobicContact CG2-CE2 3.89Å; T1081-F1083 HydrophobicContact CG2-CZ 4.21Å; F1083-K1259 WeakPolarHBondContact CE1-O 3.5Å; F1083-I1277 HydrophobicContact CD1-CG2 3.61Å; F1083-I1277 HydrophobicContact CE1-CG2 3.84Å; F1083-I1277 HydrophobicContact CG-CG2 4.35Å; F1083-D1295 HydrophobicContact CB-CB 3.8Å; F1083-D1295 WeakPolarHBondContact O-CB 3.3Å; F1083-D1295 PolarHBondContact O-N 3.06Å; F1083-R1298 HydrophobicContact CB-CB 3.87Å; F1083-R1298 HydrophobicContact CD1-CB 4.35Å; F1083-R1298 HydrophobicContact CD2-CB 3.55Å; F1083-R1298 VanDerWaalsContact CD2-O 3.3Å; F1083-R1298 WeakPolarHBondContact CD2-O 3.28Å; F1083-R1298 HydrophobicContact CE2-CB 4.13Å; F1083-R1298 WeakPolarHBondContact CE2-O 3.4Å; F1083-R1298 HydrophobicContact CG-CB 3.66Å; F1083-T1299 PolarHBondContact N-OG1 2.98Å; F1083-Y1300 HydrophobicContact CE2-CD1 4.21Å; F1083-Y1300 HydrophobicContact CE2-CE1 4.3Å
1084L94.3Very high88.9Confident0 Ų053.1 Ų53.10%028%0.283CS..BIsolated β-bridgetrans-103.2164-179.4-58.9-178.8000111.4A1088 A1089 A1095 V1098 W1276 L1278 D1293 R1298L1084-A1088 HydrophobicContact CB-CB 4.33Å; L1084-A1088 HydrophobicContact CD1-CB 4.23Å; L1084-A1088 WeakPolarHBondContact CD1-O 3.32Å; L1084-A1089 HydrophobicContact CB-CB 4.12Å; L1084-A1095 HydrophobicContact CD1-CB 3.66Å; L1084-V1098 HydrophobicContact CD2-CB 4.27Å; L1084-V1098 HydrophobicContact CD2-CG1 3.84Å; L1084-V1098 HydrophobicContact CD2-CG2 4.26Å; L1084-W1276 HydrophobicContact CD1-CB 4.38Å; L1084-L1278 HydrophobicContact CD1-CG 4.3Å; L1084-L1278 HydrophobicContact CD2-CD1 4.1Å; L1084-L1278 HydrophobicContact CD2-CG 4.35Å; L1084-L1278 HydrophobicContact CG-CG 4.49Å; L1084-D1293 CarbonylContact C-O 3.53Å; L1084-R1298 PolarHBondContact O-NH2 3.09Å
1085T92.1Very high89Confident46 Ų4645.2 Ų45.228%0.28225%0.246SC..  trans-120.8176.4179.464.90000112S1087 A1088 A1089 D1293 D1295T1085-S1087 PolarHBondContact O-N 3.24Å; T1085-A1088 PolarHBondContact O-N 2.93Å; T1085-A1089 PolarHBondContact O-N 2.75Å; T1085-A1089 VanDerWaalsContact O-N 3.14Å; T1085-D1293 WeakPolarHBondContact CB-O 3.37Å; T1085-D1293 PolarHBondContact N-O 2.97Å; T1085-D1293 VanDerWaalsContact OG1-C 3.29Å; T1085-D1293 WeakPolarHBondContact OG1-CA 3.45Å; T1085-D1293 PolarHBondContact OG1-O 2.81Å; T1085-D1295 HydrophobicContact CG2-CB 3.63Å
1086G88.3Confident89.1Confident62 Ų6247 Ų4764%0.63925%0.252SS*.THydrogen-bonded Turntrans54.2-124169.600000114.1
1087S89.8Confident89.5Confident57 Ų5743.1 Ų43.140%0.39924%0.238SC..THydrogen-bonded Turntrans-88.1-26.9176.959.90000113.8T1085 A1089 R1090 D1091 K1094T1085-S1087 PolarHBondContact O-N 3.24Å; S1087-A1089 PolarHBondContact O-N 2.77Å; S1087-R1090 PolarHBondContact O-N 2.85Å; S1087-D1091 VanDerWaalsContact O-CB 3.32Å; S1087-D1091 WeakPolarHBondContact O-CB 3.49Å; S1087-D1091 PolarHBondContact O-N 2.84Å; S1087-K1094 WeakPolarHBondContact OG-CD 3.26Å; S1087-K1094 PolarHBondContact OG-NZ 2.86Å; S1087-K1094 VanDerWaalsContact OG-NZ 3.12Å
1088A90.2Very high90.1Very high2 Ų240 Ų402%0.01722%0.219CC..THydrogen-bonded Turntrans-62.1-29.9177.400000112.9L1084 T1085 R1090 K1094 V1098 D1293L1084-A1088 HydrophobicContact CB-CB 4.33Å; L1084-A1088 HydrophobicContact CD1-CB 4.23Å; L1084-A1088 WeakPolarHBondContact CD1-O 3.32Å; T1085-A1088 PolarHBondContact O-N 2.93Å; A1088-R1090 PolarHBondContact O-N 2.69Å; A1088-K1094 HydrophobicContact CB-CB 4.05Å; A1088-V1098 HydrophobicContact CB-CG2 4.29Å; A1088-D1293 HydrophobicContact CB-CB 4.21Å
1089A90.6Very high90.3Very high1 Ų139.3 Ų39.31%0.00821%0.214CC..THydrogen-bonded Turntrans-64.4-15.7171.800000115.1L1084 T1085 S1087 E1275 W1276L1084-A1089 HydrophobicContact CB-CB 4.12Å; T1085-A1089 PolarHBondContact O-N 2.75Å; T1085-A1089 VanDerWaalsContact O-N 3.14Å; S1087-A1089 PolarHBondContact O-N 2.77Å; A1089-E1275 HydrophobicContact CB-CB 4.22Å; A1089-E1275 HydrophobicContact CB-CG 4.2Å; A1089-E1275 CarbonylContact O-C 3.38Å; A1089-E1275 WeakPolarHBondContact O-CA 3.44Å; A1089-E1275 WeakPolarHBondContact O-CB 3.43Å; A1089-W1276 PolarHBondContact O-N 3.24Å
1090R88.9Confident90.5Very high195 Ų19538.5 Ų38.574%0.73621%0.207SC*.THydrogen-bonded Turntrans-119.2-30.8-174.9-58.9-178.2-176.2176.21.7113.2S1087 A1088 W1276S1087-R1090 PolarHBondContact O-N 2.85Å; A1088-R1090 PolarHBondContact O-N 2.69Å; R1090-W1276 PolarHBondContact O-NE1 2.94Å
1091D90.8Very high90.6Very high62 Ų6242.2 Ų42.233%0.33222%0.222SC..  trans-105.3119.6-171.7-178.2-5.3000110.3S1087 E1093 K1094 A1095S1087-D1091 VanDerWaalsContact O-CB 3.32Å; S1087-D1091 WeakPolarHBondContact O-CB 3.49Å; S1087-D1091 PolarHBondContact O-N 2.84Å; D1091-E1093 VanDerWaalsContact C-N 3.34Å; D1091-E1093 PolarHBondContact O-N 2.73Å; D1091-E1093 PolarHBondContact OD1-N 3.3Å; D1091-K1094 HydrophobicContact CB-CB 4.25Å; D1091-K1094 HydrophobicContact CB-CD 4.23Å; D1091-K1094 HydrophobicContact CB-CG 4.42Å; D1091-K1094 PolarHBondContact O-N 2.81Å; D1091-K1094 WeakPolarHBondContact OD2-CD 3.45Å; D1091-K1094 WeakPolarHBondContact OD2-CE 3.21Å; D1091-K1094 IonicContact OD2-NZ 2.77Å; D1091-A1095 PolarHBondContact O-N 2.93Å
1092A89.3Confident90.7Very high36 Ų3642 Ų4230%0.29822%0.22SC..Hα-helixtrans-68-31.3-174.600000113A1095 K1096 M1251 W1276A1092-A1095 PolarHBondContact O-N 3.37Å; A1092-K1096 PolarHBondContact O-N 2.9Å; A1092-M1251 HydrophobicContact CB-CE 4.28Å; A1092-W1276 HydrophobicContact CB-CH2 4.5Å; A1092-W1276 HydrophobicContact CB-CZ2 3.77Å
1093E88.5Confident90.6Very high101 Ų10143 Ų4347%0.47223%0.225SC..Hα-helixtrans-70.3-40.2177.6-89-58.8127.200111.3D1091 A1095 K1096 D1097 K1166D1091-E1093 VanDerWaalsContact C-N 3.34Å; D1091-E1093 PolarHBondContact O-N 2.73Å; D1091-E1093 PolarHBondContact OD1-N 3.3Å; E1093-A1095 VanDerWaalsContact C-N 3.33Å; E1093-A1095 PolarHBondContact O-N 3.46Å; E1093-K1096 CarbonylContact O-C 3.59Å; E1093-K1096 WeakPolarHBondContact O-CA 3.5Å; E1093-K1096 VanDerWaalsContact O-CB 3.29Å; E1093-K1096 WeakPolarHBondContact O-CB 3.23Å; E1093-K1096 PolarHBondContact O-N 2.84Å; E1093-D1097 PolarHBondContact O-N 3.43Å; E1093-K1166 IonicContact OE2-NZ 2.75Å; E1093-K1166 PolarHBondContact OE2-NZ 3.08Å
1094K90.9Very high90.5Very high85 Ų8544 Ų4437%0.3723%0.229SC..Hα-helixtrans-70.7-30.3175-69.4177.6-177.2161.80112.7S1087 A1088 D1091 K1096 D1097 V1098S1087-K1094 WeakPolarHBondContact OG-CD 3.26Å; S1087-K1094 PolarHBondContact OG-NZ 2.86Å; S1087-K1094 VanDerWaalsContact OG-NZ 3.12Å; A1088-K1094 HydrophobicContact CB-CB 4.05Å; D1091-K1094 HydrophobicContact CB-CB 4.25Å; D1091-K1094 HydrophobicContact CB-CD 4.23Å; D1091-K1094 HydrophobicContact CB-CG 4.42Å; D1091-K1094 PolarHBondContact O-N 2.81Å; D1091-K1094 WeakPolarHBondContact OD2-CD 3.45Å; D1091-K1094 WeakPolarHBondContact OD2-CE 3.21Å; D1091-K1094 IonicContact OD2-NZ 2.77Å; K1094-K1096 VanDerWaalsContact C-N 3.34Å; K1094-D1097 PolarHBondContact O-N 2.96Å; K1094-V1098 WeakPolarHBondContact O-CG2 3.01Å; K1094-V1098 PolarHBondContact O-N 3.41Å
1095A90.7Very high90.2Very high0 Ų044.4 Ų44.40%023%0.232CC..Hα-helixtrans-65.3-37.6166.800000111.5L1084 D1091 A1092 E1093 D1097 V1098 I1099 M1251 W1276L1084-A1095 HydrophobicContact CD1-CB 3.66Å; D1091-A1095 PolarHBondContact O-N 2.93Å; A1092-A1095 PolarHBondContact O-N 3.37Å; E1093-A1095 VanDerWaalsContact C-N 3.33Å; E1093-A1095 PolarHBondContact O-N 3.46Å; A1095-D1097 VanDerWaalsContact C-N 3.34Å; A1095-D1097 PolarHBondContact O-N 3.45Å; A1095-V1098 PolarHBondContact O-N 3.11Å; A1095-I1099 WeakPolarHBondContact O-CG1 3.47Å; A1095-I1099 PolarHBondContact O-N 3.1Å; A1095-M1251 HydrophobicContact CB-SD 3.39Å; A1095-M1251 WeakPolarHBondContact CB-SD 3.38Å; A1095-W1276 HydrophobicContact CB-CB 4.17Å; A1095-W1276 HydrophobicContact CB-CG 4.45Å
1096K89Confident90.2Very high55 Ų5543 Ų4324%0.23922%0.223CC..Hα-helixtrans-62.5-36.6171.6-165.5179.8-177.71800112.4A1092 E1093 K1094 V1098 I1099 C1100 D1164A1092-K1096 PolarHBondContact O-N 2.9Å; E1093-K1096 CarbonylContact O-C 3.59Å; E1093-K1096 WeakPolarHBondContact O-CA 3.5Å; E1093-K1096 VanDerWaalsContact O-CB 3.29Å; E1093-K1096 WeakPolarHBondContact O-CB 3.23Å; E1093-K1096 PolarHBondContact O-N 2.84Å; K1094-K1096 VanDerWaalsContact C-N 3.34Å; K1096-V1098 PolarHBondContact O-N 3.25Å; K1096-I1099 WeakPolarHBondContact O-CB 3.3Å; K1096-I1099 PolarHBondContact O-N 2.87Å; K1096-C1100 PolarHBondContact O-N 3.28Å; K1096-C1100 PolarHBondContact O-SG 3.4Å; K1096-C1100 VanDerWaalsContact O-SG 3.34Å; K1096-D1164 VanDerWaalsContact CE-O 3.32Å; K1096-D1164 WeakPolarHBondContact CE-O 3.31Å; K1096-D1164 IonicContact NZ-OD1 3.27Å; K1096-D1164 PolarHBondContact NZ-OD1 3.14Å
1097D90.3Very high90.2Very high57 Ų5740 Ų4031%0.30519%0.193SC..Hα-helixtrans-61.3-43173.5-61.4-30.2000112E1093 K1094 A1095 I1099 C1100 R1101 K1166E1093-D1097 PolarHBondContact O-N 3.43Å; K1094-D1097 PolarHBondContact O-N 2.96Å; A1095-D1097 VanDerWaalsContact C-N 3.34Å; A1095-D1097 PolarHBondContact O-N 3.45Å; D1097-I1099 VanDerWaalsContact C-N 3.35Å; D1097-C1100 PolarHBondContact O-N 3.37Å; D1097-R1101 PolarHBondContact O-N 3.44Å; D1097-K1166 WeakPolarHBondContact OD1-CD 3.24Å; D1097-K1166 WeakPolarHBondContact OD1-CE 3.47Å; D1097-K1166 IonicContact OD1-NZ 3.51Å; D1097-K1166 PolarHBondContact OD1-NZ 3.32Å
1098V91.9Very high90.3Very high1 Ų144 Ų441%0.00620%0.199CC..Hα-helixtrans-65.7-37175.5-177.30000111.5L1084 A1088 K1094 A1095 K1096 C1100 R1101 I1102 L1278 D1293 V1294L1084-V1098 HydrophobicContact CD2-CB 4.27Å; L1084-V1098 HydrophobicContact CD2-CG1 3.84Å; L1084-V1098 HydrophobicContact CD2-CG2 4.26Å; A1088-V1098 HydrophobicContact CB-CG2 4.29Å; K1094-V1098 WeakPolarHBondContact O-CG2 3.01Å; K1094-V1098 PolarHBondContact O-N 3.41Å; A1095-V1098 PolarHBondContact O-N 3.11Å; K1096-V1098 PolarHBondContact O-N 3.25Å; V1098-C1100 PolarHBondContact O-N 3.17Å; V1098-R1101 PolarHBondContact O-N 3.44Å; V1098-I1102 HydrophobicContact CG1-CD1 3.75Å; V1098-I1102 HydrophobicContact CG1-CG1 4.48Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.21Å; V1098-I1102 PolarHBondContact O-N 2.88Å; V1098-L1278 HydrophobicContact CB-CD1 4.21Å; V1098-L1278 HydrophobicContact CG1-CD1 3.85Å; V1098-D1293 HydrophobicContact CG2-CB 3.92Å; V1098-V1294 HydrophobicContact CG1-CG2 4.28Å
1099I91.1Very high90.1Very high18 Ų1847.4 Ų47.49%0.09221%0.213CC..Hα-helixtrans-58.5-45.8173.7-69.2165.3000111.3A1095 K1096 D1097 R1101 I1102 E1103 V1249 M1251 L1278A1095-I1099 WeakPolarHBondContact O-CG1 3.47Å; A1095-I1099 PolarHBondContact O-N 3.1Å; K1096-I1099 WeakPolarHBondContact O-CB 3.3Å; K1096-I1099 PolarHBondContact O-N 2.87Å; D1097-I1099 VanDerWaalsContact C-N 3.35Å; I1099-R1101 VanDerWaalsContact C-N 3.32Å; I1099-R1101 PolarHBondContact O-N 3.05Å; I1099-I1102 PolarHBondContact O-N 3.05Å; I1099-I1102 VanDerWaalsContact O-N 3.17Å; I1099-E1103 WeakPolarHBondContact O-CB 3.45Å; I1099-E1103 PolarHBondContact O-N 2.75Å; I1099-V1249 HydrophobicContact CG1-CG1 4Å; I1099-V1249 HydrophobicContact CG2-CB 4.13Å; I1099-V1249 HydrophobicContact CG2-CG1 4.47Å; I1099-M1251 HydrophobicContact CD1-CB 3.66Å; I1099-M1251 HydrophobicContact CD1-CG 4.33Å; I1099-M1251 HydrophobicContact CD1-SD 4Å; I1099-L1278 HydrophobicContact CD1-CD2 3.87Å; I1099-L1278 HydrophobicContact CG1-CD1 3.87Å; I1099-L1278 HydrophobicContact CG1-CD2 3.65Å; I1099-L1278 HydrophobicContact CG1-CG 4.39Å
1100C88.8Confident89.9Confident9 Ų947.3 Ų47.36%0.06121%0.213CC..Hα-helixtrans-63.8-36.5-179.5-64.40000112.4K1096 D1097 V1098 I1102K1096-C1100 PolarHBondContact O-N 3.28Å; K1096-C1100 PolarHBondContact O-SG 3.4Å; K1096-C1100 VanDerWaalsContact O-SG 3.34Å; D1097-C1100 PolarHBondContact O-N 3.37Å; V1098-C1100 PolarHBondContact O-N 3.17Å; C1100-I1102 VanDerWaalsContact C-N 3.3Å; C1100-I1102 PolarHBondContact O-N 2.62Å
1101R90.7Very high90Very high79 Ų7939 Ų3930%0.29818%0.184SC..Hα-helixtrans-68.6-23.8174.7-63.2-160.6-57.7-1081.6114.3D1097 V1098 I1099 G1242 E1291 R1292 D1293D1097-R1101 PolarHBondContact O-N 3.44Å; V1098-R1101 PolarHBondContact O-N 3.44Å; I1099-R1101 VanDerWaalsContact C-N 3.32Å; I1099-R1101 PolarHBondContact O-N 3.05Å; R1101-G1242 VanDerWaalsContact O-CA 3.32Å; R1101-G1242 WeakPolarHBondContact O-CA 3.11Å; R1101-E1291 IonicContact CZ-OE2 3.1Å; R1101-E1291 IonicContact NE-OE2 2.63Å; R1101-E1291 PolarHBondContact NE-OE2 2.71Å; R1101-R1292 VanDerWaalsContact NH2-C 3.25Å; R1101-R1292 PolarHBondContact NH2-O 3.45Å; R1101-D1293 IonicContact CZ-OD2 2.67Å; R1101-D1293 IonicContact NH1-OD2 3.5Å; R1101-D1293 PolarHBondContact NH1-OD2 2.68Å; R1101-D1293 IonicContact NH2-OD2 3.47Å; R1101-D1293 PolarHBondContact NH2-OD2 2.9Å
1102I92.6Very high90Very high0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-103.1-39-173-66.1178.7000112.8I1082 V1098 I1099 C1100 H1104 I1243 I1246 V1249 V1288 E1291 V1294I1082-I1102 HydrophobicContact CD1-CD1 3.98Å; I1082-I1102 HydrophobicContact CD1-CG2 4.37Å; V1098-I1102 HydrophobicContact CG1-CD1 3.75Å; V1098-I1102 HydrophobicContact CG1-CG1 4.48Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.21Å; V1098-I1102 PolarHBondContact O-N 2.88Å; I1099-I1102 PolarHBondContact O-N 3.05Å; I1099-I1102 VanDerWaalsContact O-N 3.17Å; C1100-I1102 VanDerWaalsContact C-N 3.3Å; C1100-I1102 PolarHBondContact O-N 2.62Å; I1102-H1104 PolarHBondContact O-N 3.21Å; I1102-I1243 PolarHBondContact O-N 3.49Å; I1102-I1246 HydrophobicContact CG2-CD1 3.87Å; I1102-I1246 HydrophobicContact CG2-CG2 4.13Å; I1102-V1249 HydrophobicContact CB-CG2 4.45Å; I1102-V1249 HydrophobicContact CG2-CG2 3.98Å; I1102-V1288 HydrophobicContact CG2-CG2 4.34Å; I1102-E1291 HydrophobicContact CG1-CG 4.21Å; I1102-V1294 HydrophobicContact CD1-CG2 4.27Å
1103E90.7Very high90.2Very high21 Ų2141.2 Ų41.210%0.09819%0.194CC..BIsolated β-bridgetrans-73.1117.3-176.7-166.2-169.9121.200112.2I1099 M1105 K1109 K1165 G1242 V1249I1099-E1103 WeakPolarHBondContact O-CB 3.45Å; I1099-E1103 PolarHBondContact O-N 2.75Å; E1103-M1105 PolarHBondContact O-N 3.2Å; E1103-M1105 VanDerWaalsContact O-N 3.16Å; E1103-K1109 IonicContact OE1-NZ 3.76Å; E1103-K1165 IonicContact OE1-NZ 3.45Å; E1103-K1165 PolarHBondContact OE1-NZ 3.47Å; E1103-K1165 IonicContact OE2-NZ 2.73Å; E1103-K1165 PolarHBondContact OE2-NZ 3.03Å; E1103-G1242 WeakPolarHBondContact O-CA 3.21Å; E1103-V1249 HydrophobicContact CB-CB 4.49Å; E1103-V1249 HydrophobicContact CB-CG2 3.75Å; E1103-V1249 HydrophobicContact CG-CG2 4.21Å
1104H91.2Very high90.4Very high36 Ų3638.6 Ų38.617%0.16719%0.185CC..  trans-54.4119.3-179-177.935.1000113.2I1102 T1106 K1109 T1239 E1244 I1246I1102-H1104 PolarHBondContact O-N 3.21Å; H1104-T1106 WeakPolarHBondContact CE1-CG2 3.48Å; H1104-T1106 WeakPolarHBondContact NE2-CG2 3.4Å; H1104-K1109 WeakPolarHBondContact O-CE 3.34Å; H1104-K1109 PolarHBondContact O-NZ 3.21Å; H1104-T1239 PolarHBondContact CE1-OG1 3.48Å; H1104-E1244 PolarHBondContact CD2-O 3.22Å; H1104-I1246 VanDerWaalsContact CB-O 3.3Å; H1104-I1246 WeakPolarHBondContact CB-O 3.31Å; H1104-I1246 PolarHBondContact N-O 3.08Å; H1104-I1246 VanDerWaalsContact N-O 3.08Å
1105M88.5Confident90.4Very high9 Ų936.1 Ų36.14%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-113.1128.9174.1-162.454.54700110.5E1103 K1109 M1110 K1165 M1167 L1240 Q1241E1103-M1105 PolarHBondContact O-N 3.2Å; E1103-M1105 VanDerWaalsContact O-N 3.16Å; M1105-K1109 HydrophobicContact CE-CD 3.86Å; M1105-K1109 HydrophobicContact SD-CB 3.45Å; M1105-K1109 WeakPolarHBondContact SD-CB 3.38Å; M1105-K1109 HydrophobicContact SD-CD 3.72Å; M1105-K1109 HydrophobicContact SD-CG 4.22Å; M1105-M1110 HydrophobicContact CG-CG 4.04Å; M1105-M1110 HydrophobicContact CG-SD 3.84Å; M1105-M1110 HydrophobicContact SD-CG 3.63Å; M1105-M1110 HydrophobicContact SD-SD 4.1Å; M1105-K1165 HydrophobicContact CE-CD 3.82Å; M1105-K1165 HydrophobicContact CE-CG 3.82Å; M1105-M1167 HydrophobicContact CG-SD 4.47Å; M1105-L1240 HydrophobicContact CB-CB 4.49Å; M1105-L1240 PolarHBondContact O-N 3.33Å; M1105-Q1241 HydrophobicContact CB-CB 4.47Å; M1105-Q1241 PolarHBondContact N-O 3.01Å
1106T90.8Very high90.4Very high17 Ų1738.1 Ų38.110%0.10419%0.19CC..EExtended strand (participates in β ladder)trans-123157.8171.357.20000108.9H1104 R1108 K1109 M1238H1104-T1106 WeakPolarHBondContact CE1-CG2 3.48Å; H1104-T1106 WeakPolarHBondContact NE2-CG2 3.4Å; T1106-R1108 PolarHBondContact O-N 2.59Å; T1106-K1109 WeakPolarHBondContact O-CB 3.45Å; T1106-K1109 PolarHBondContact O-N 3.46Å; T1106-M1238 WeakPolarHBondContact CA-O 3.24Å
1107L90Very high90.4Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-54.9-41.3-177.4-171.363.2000111.8K1109 M1110 T1111 I1155 V1172 L1234 L1235 M1238 L1240L1107-K1109 PolarHBondContact O-N 3.02Å; L1107-K1109 VanDerWaalsContact O-N 3.13Å; L1107-M1110 WeakPolarHBondContact O-CA 3.41Å; L1107-M1110 PolarHBondContact O-N 2.92Å; L1107-T1111 PolarHBondContact O-N 3.33Å; L1107-T1111 PolarHBondContact O-OG1 3.24Å; L1107-T1111 VanDerWaalsContact O-OG1 3.06Å; L1107-I1155 HydrophobicContact CD2-CD1 3.88Å; L1107-V1172 HydrophobicContact CD1-CG1 3.96Å; L1107-L1234 WeakPolarHBondContact CB-O 3.36Å; L1107-L1234 HydrophobicContact CD2-CB 4.31Å; L1107-L1235 HydrophobicContact CD2-CD2 4.39Å; L1107-L1235 HydrophobicContact CG-CD2 4.3Å; L1107-M1238 HydrophobicContact CB-CE 3.86Å; L1107-M1238 HydrophobicContact CD2-CE 3.84Å; L1107-M1238 HydrophobicContact CG-CE 4.3Å; L1107-L1240 HydrophobicContact CB-CD1 4.29Å; L1107-L1240 HydrophobicContact CD1-CD1 4.29Å
1108R90.6Very high90.4Very high139 Ų13942.9 Ų42.953%0.52520%0.204SC..Hα-helixtrans-55.1-27.6173.7175.2179.9-56.2-75.9-1.8115.6T1106 M1110 L1235T1106-R1108 PolarHBondContact O-N 2.59Å; R1108-M1110 VanDerWaalsContact C-N 3.3Å; R1108-L1235 HydrophobicContact CB-CB 4.22Å; R1108-L1235 HydrophobicContact CB-CD2 4.46Å; R1108-L1235 WeakPolarHBondContact CB-O 3.42Å; R1108-L1235 PolarHBondContact N-O 2.98Å; R1108-L1235 VanDerWaalsContact N-O 3.09Å
1109K86.6Confident90.2Very high74 Ų7442.8 Ų42.832%0.32220%0.203SC..Hα-helixtrans-70.5-31.3174.3-81.1-173.6170.1-172.90110.9E1103 H1104 M1105 T1106 L1107 K1161 S1247E1103-K1109 IonicContact OE1-NZ 3.76Å; H1104-K1109 WeakPolarHBondContact O-CE 3.34Å; H1104-K1109 PolarHBondContact O-NZ 3.21Å; M1105-K1109 HydrophobicContact CE-CD 3.86Å; M1105-K1109 HydrophobicContact SD-CB 3.45Å; M1105-K1109 WeakPolarHBondContact SD-CB 3.38Å; M1105-K1109 HydrophobicContact SD-CD 3.72Å; M1105-K1109 HydrophobicContact SD-CG 4.22Å; T1106-K1109 WeakPolarHBondContact O-CB 3.45Å; T1106-K1109 PolarHBondContact O-N 3.46Å; L1107-K1109 PolarHBondContact O-N 3.02Å; L1107-K1109 VanDerWaalsContact O-N 3.13Å; K1109-K1161 WeakPolarHBondContact O-CD 3.33Å; K1109-K1161 VanDerWaalsContact O-CE 3.23Å; K1109-K1161 WeakPolarHBondContact O-CE 3.32Å; K1109-K1161 PolarHBondContact O-NZ 3.48Å; K1109-S1247 PolarHBondContact NZ-O 3Å
1110M87.1Confident89.8Confident0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-97.4-34.6-174-52.1-161-46.300113.9M1105 L1107 R1108 V1157 D1158 M1162 M1167 V1172 L1240M1105-M1110 HydrophobicContact CG-CG 4.04Å; M1105-M1110 HydrophobicContact CG-SD 3.84Å; M1105-M1110 HydrophobicContact SD-CG 3.63Å; M1105-M1110 HydrophobicContact SD-SD 4.1Å; L1107-M1110 WeakPolarHBondContact O-CA 3.41Å; L1107-M1110 PolarHBondContact O-N 2.92Å; R1108-M1110 VanDerWaalsContact C-N 3.3Å; M1110-V1157 HydrophobicContact CB-CG1 3.98Å; M1110-D1158 WeakPolarHBondContact O-CB 3.26Å; M1110-D1158 PolarHBondContact O-N 3.43Å; M1110-M1162 HydrophobicContact CE-SD 3.37Å; M1110-M1162 WeakPolarHBondContact CE-SD 3.36Å; M1110-M1162 HydrophobicContact SD-SD 3.84Å; M1110-M1167 HydrophobicContact CE-SD 3.87Å; M1110-M1167 HydrophobicContact SD-SD 3.84Å; M1110-V1172 HydrophobicContact CE-CG2 3.8Å; M1110-L1240 HydrophobicContact CE-CD1 3.47Å; M1110-L1240 VanDerWaalsContact CE-CD1 3.47Å; M1110-L1240 HydrophobicContact SD-CD1 4.48Å
1111T90Very high89.5Confident20 Ų2047.9 Ų47.912%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-54.8136.3177.4-59.90000112.9L1107 S1113 T1114 I1155 E1156 L1235L1107-T1111 PolarHBondContact O-N 3.33Å; L1107-T1111 PolarHBondContact O-OG1 3.24Å; L1107-T1111 VanDerWaalsContact O-OG1 3.06Å; T1111-S1113 VanDerWaalsContact CG2-O 3.23Å; T1111-S1113 WeakPolarHBondContact CG2-O 3.36Å; T1111-T1114 HydrophobicContact CG2-CG2 3.92Å; T1111-I1155 HydrophobicContact CG2-CG2 3.76Å; T1111-E1156 CarbonylContact C-O 3.58Å; T1111-E1156 WeakPolarHBondContact CA-O 3.32Å; T1111-E1156 WeakPolarHBondContact CG2-O 3.21Å; T1111-L1235 HydrophobicContact CG2-CD2 4.21Å
1112L91Very high89Confident98 Ų9844.9 Ų44.951%0.51323%0.225SC..EExtended strand (participates in β ladder)trans-87-53.2165.9-71.6171.7000110.6E1156 D1158L1112-E1156 HydrophobicContact CB-CB 4.35Å; L1112-E1156 HydrophobicContact CB-CG 4.13Å; L1112-E1156 HydrophobicContact CD1-CG 4.14Å; L1112-E1156 PolarHBondContact N-O 3.46Å; L1112-D1158 HydrophobicContact CD1-CB 4.4Å; L1112-D1158 HydrophobicContact CD2-CB 3.85Å; L1112-D1158 HydrophobicContact CG-CB 3.85Å
1113S92.7Very high88.5Confident47 Ų4748.4 Ų48.433%0.32924%0.243SC..EExtended strand (participates in β ladder)trans-142.6154.7-178.677.20000112.3T1111 E1156T1111-S1113 VanDerWaalsContact CG2-O 3.23Å; T1111-S1113 WeakPolarHBondContact CG2-O 3.36Å; S1113-E1156 WeakPolarHBondContact CB-OE2 3.36Å; S1113-E1156 PolarHBondContact O-N 3Å; S1113-E1156 WeakPolarHBondContact OG-CB 3.28Å; S1113-E1156 PolarHBondContact OG-OE2 3.17Å
1114T92.9Very high88.1Confident46 Ų4651.9 Ų51.928%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-124.8142.8164.749.80000109.3T1111 R1154 I1155 E1231 L1235T1111-T1114 HydrophobicContact CG2-CG2 3.92Å; T1114-R1154 WeakPolarHBondContact CA-O 3.39Å; T1114-I1155 HydrophobicContact CG2-CB 4.43Å; T1114-I1155 HydrophobicContact CG2-CG1 4.05Å; T1114-I1155 HydrophobicContact CG2-CG2 4.11Å; T1114-E1231 WeakPolarHBondContact CB-OE1 3.38Å; T1114-E1231 HydrophobicContact CG2-CG 4.45Å; T1114-E1231 PolarHBondContact OG1-OE1 3.47Å; T1114-L1235 HydrophobicContact CG2-CD1 3.97Å; T1114-L1235 HydrophobicContact CG2-CD2 4.03Å; T1114-L1235 HydrophobicContact CG2-CG 4.37Å
1115A91.6Very high87.8Confident32 Ų3250.8 Ų50.826%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-147134177.100000110.3Y1117 R1154A1115-Y1117 HydrophobicContact CB-CD2 4.08Å; A1115-Y1117 HydrophobicContact CB-CE2 3.47Å; A1115-Y1117 VanDerWaalsContact CB-CE2 3.47Å; A1115-R1154 PolarHBondContact N-O 3.01Å; A1115-R1154 PolarHBondContact O-N 3.26Å
1116I90.7Very high87.7Confident43 Ų4355 Ų5522%0.22128%0.28CS..EExtended strand (participates in β ladder)trans-98.6122.2172.8-65173.3000108.2W1151 L1152 L1153 L1227 R1228I1116-W1151 HydrophobicContact CG2-CE3 3.88Å; I1116-W1151 HydrophobicContact CG2-CZ3 4.31Å; I1116-L1152 CarbonylContact C-O 3.37Å; I1116-L1152 WeakPolarHBondContact CA-O 3.18Å; I1116-L1153 HydrophobicContact CG1-CD1 3.93Å; I1116-L1227 HydrophobicContact CB-CD2 4.45Å; I1116-L1227 HydrophobicContact CD1-CD2 4.15Å; I1116-L1227 HydrophobicContact CG1-CD2 3.99Å; I1116-L1227 HydrophobicContact CG2-CD2 3.73Å; I1116-R1228 HydrophobicContact CD1-CB 4.48Å; I1116-R1228 HydrophobicContact CD1-CG 3.45Å; I1116-R1228 VanDerWaalsContact CD1-CG 3.45Å
1117Y89.4Confident87.6Confident84 Ų8454.6 Ų54.633%0.32928%0.277SS..EExtended strand (participates in β ladder)trans-111.8148.7177.1-71-87.9000110.2A1115 I1126 I1127 L1152 R1154A1115-Y1117 HydrophobicContact CB-CD2 4.08Å; A1115-Y1117 HydrophobicContact CB-CE2 3.47Å; A1115-Y1117 VanDerWaalsContact CB-CE2 3.47Å; Y1117-I1126 HydrophobicContact CD1-CD1 4.08Å; Y1117-I1127 HydrophobicContact CD1-CD1 3.99Å; Y1117-I1127 HydrophobicContact CD1-CG1 4.21Å; Y1117-I1127 HydrophobicContact CD2-CD1 3.46Å; Y1117-I1127 VanDerWaalsContact CD2-CD1 3.46Å; Y1117-I1127 HydrophobicContact CE1-CD1 4.06Å; Y1117-I1127 HydrophobicContact CE1-CG1 4.25Å; Y1117-I1127 HydrophobicContact CE2-CD1 3.52Å; Y1117-I1127 HydrophobicContact CG-CD1 3.7Å; Y1117-I1127 HydrophobicContact CG-CG1 4.34Å; Y1117-L1152 PolarHBondContact N-O 3.12Å; Y1117-L1152 PolarHBondContact O-N 2.96Å; Y1117-R1154 HydrophobicContact CD2-CB 4.17Å; Y1117-R1154 HydrophobicContact CE2-CB 4.19Å
1118Y89.2Confident87.4Confident127 Ų12759.9 Ų59.950%0.49831%0.312SS..EExtended strand (participates in β ladder)trans-95.2100.4162.5-177.1-96.8000106.9P1120 I1126 P1150 W1151Y1118-P1120 HydrophobicContact CD1-CB 4.36Å; Y1118-P1120 HydrophobicContact CD1-CG 4.35Å; Y1118-P1120 HydrophobicContact CE1-CB 3.72Å; Y1118-P1120 HydrophobicContact CE1-CG 4.01Å; Y1118-P1120 WeakPolarHBondContact O-CD 3.31Å; Y1118-I1126 VanDerWaalsContact O-CD1 3.24Å; Y1118-I1126 WeakPolarHBondContact O-CD1 3.42Å; Y1118-P1150 HydrophobicContact CD2-CB 4.21Å; Y1118-P1150 HydrophobicContact CD2-CG 4.47Å; Y1118-P1150 HydrophobicContact CE2-CB 3.65Å; Y1118-P1150 HydrophobicContact CE2-CG 3.74Å; Y1118-W1151 AromaticContact CD2-CD2 3.95Å; Y1118-W1151 HydrophobicContact CD2-CD2 3.95Å; Y1118-W1151 AromaticContact CD2-CE2 3.8Å; Y1118-W1151 HydrophobicContact CD2-CE3 4.19Å; Y1118-W1151 HydrophobicContact CD2-CH2 4.22Å; Y1118-W1151 AromaticContact CD2-CZ2 3.96Å; Y1118-W1151 HydrophobicContact CD2-CZ2 3.96Å; Y1118-W1151 HydrophobicContact CD2-CZ3 4.32Å
1119D88.1Confident87.2Confident0 Ų059.2 Ų59.20%031%0.314CS..  trans-117.581.9-172.9-167.226.3000107.3D1121 T1125 I1126 P1150 L1152 R1199 R1201D1119-D1121 VanDerWaalsContact C-N 3.32Å; D1119-D1121 PolarHBondContact O-N 2.79Å; D1119-T1125 WeakPolarHBondContact OD1-CA 3.17Å; D1119-I1126 HydrophobicContact CB-CG1 4.23Å; D1119-I1126 WeakPolarHBondContact OD1-CG1 3.38Å; D1119-I1126 PolarHBondContact OD1-N 3.11Å; D1119-P1150 CarbonylContact C-O 3.48Å; D1119-P1150 PolarHBondContact N-O 2.94Å; D1119-L1152 HydrophobicContact CB-CB 4.13Å; D1119-L1152 HydrophobicContact CB-CD2 4Å; D1119-R1199 IonicContact OD2-CZ 2.89Å; D1119-R1199 IonicContact OD2-NH1 3.66Å; D1119-R1199 PolarHBondContact OD2-NH1 2.69Å; D1119-R1199 IonicContact OD2-NH2 3.66Å; D1119-R1199 PolarHBondContact OD2-NH2 2.79Å; D1119-R1199 VanDerWaalsContact OD2-NH2 3.09Å; D1119-R1201 VanDerWaalsContact O-CZ 3.25Å; D1119-R1201 PolarHBondContact O-NH1 3.33Å; D1119-R1201 PolarHBondContact O-NH2 2.95Å; D1119-R1201 IonicContact OD2-NH2 2.67Å; D1119-R1201 PolarHBondContact OD2-NH2 3.08Å; D1119-R1201 VanDerWaalsContact OD2-NH2 3.16Å
1120P83Confident87.3Confident74 Ų7455.7 Ų55.748%0.48130%0.299SS..  trans-73-19.8-156.926.7-35.6000115.1Y1118 P1150Y1118-P1120 HydrophobicContact CD1-CB 4.36Å; Y1118-P1120 HydrophobicContact CD1-CG 4.35Å; Y1118-P1120 HydrophobicContact CE1-CB 3.72Å; Y1118-P1120 HydrophobicContact CE1-CG 4.01Å; Y1118-P1120 WeakPolarHBondContact O-CD 3.31Å; P1120-P1150 HydrophobicContact CB-CB 4.42Å
1121D82.9Confident87.3Confident59 Ų5957.6 Ų57.632%0.31631%0.308SS..  trans-102.1125169.9-177.5-3.5000108D1119 L1123 N1124 R1201D1119-D1121 VanDerWaalsContact C-N 3.32Å; D1119-D1121 PolarHBondContact O-N 2.79Å; D1121-L1123 VanDerWaalsContact C-N 3.29Å; D1121-L1123 WeakPolarHBondContact OD1-CB 3.4Å; D1121-L1123 PolarHBondContact OD1-N 3.27Å; D1121-N1124 HydrophobicContact CB-CB 4.48Å; D1121-N1124 VanDerWaalsContact O-O 3.08Å; D1121-N1124 WeakPolarHBondContact OD2-CB 3.47Å; D1121-N1124 PolarHBondContact OD2-N 2.79Å; D1121-N1124 PolarHBondContact OD2-ND2 3.43Å; D1121-R1201 PolarHBondContact O-NH2 2.94Å
1122P79.9Confident87Confident17 Ų1763 Ų6311%0.1134%0.336CS..SBendtrans-68-27.4172.5-22.535.5000113.8F1138 V1145 C1148P1122-F1138 HydrophobicContact CB-CZ 4.23Å; P1122-F1138 WeakPolarHBondContact O-CE2 3.47Å; P1122-V1145 HydrophobicContact CB-CG1 3.5Å; P1122-V1145 HydrophobicContact CG-CG1 3.8Å; P1122-C1148 HydrophobicContact CB-CB 4.37Å; P1122-C1148 HydrophobicContact CG-CB 3.84Å
1123L81.5Confident86.8Confident74 Ų7460.6 Ų60.639%0.38732%0.32SS..SBendtrans-85.5-36.2-174.6-57.1173.6000112.6D1121 F1138 V1145D1121-L1123 VanDerWaalsContact C-N 3.29Å; D1121-L1123 WeakPolarHBondContact OD1-CB 3.4Å; D1121-L1123 PolarHBondContact OD1-N 3.27Å; L1123-F1138 HydrophobicContact CD2-CB 3.81Å; L1123-F1138 HydrophobicContact CD2-CD1 3.73Å; L1123-F1138 HydrophobicContact CD2-CD2 4.44Å; L1123-F1138 HydrophobicContact CD2-CE1 4.38Å; L1123-F1138 HydrophobicContact CD2-CG 3.76Å; L1123-V1145 HydrophobicContact CD2-CG1 4.11Å; L1123-V1145 HydrophobicContact CG-CG1 4.32Å
1124N82.1Confident86.4Confident93 Ų9358.3 Ų58.350%0.49731%0.305SS..SBendtrans-117.2124.5178.3-60-84.8000110.6D1121D1121-N1124 HydrophobicContact CB-CB 4.48Å; D1121-N1124 VanDerWaalsContact O-O 3.08Å; D1121-N1124 WeakPolarHBondContact OD2-CB 3.47Å; D1121-N1124 PolarHBondContact OD2-N 2.79Å; D1121-N1124 PolarHBondContact OD2-ND2 3.43Å
1125T84.7Confident85.9Confident14 Ų1459.2 Ų59.29%0.08631%0.308CS..  trans-99.9135.9-169.9152.60000112.5D1119 I1127 D1130 Q1131 V1134 R1199D1119-T1125 WeakPolarHBondContact OD1-CA 3.17Å; T1125-I1127 PolarHBondContact O-N 3.01Å; T1125-I1127 WeakPolarHBondContact OG1-CA 3.39Å; T1125-I1127 WeakPolarHBondContact OG1-CB 3.26Å; T1125-I1127 PolarHBondContact OG1-N 3.37Å; T1125-I1127 PolarHBondContact OG1-O 2.92Å; T1125-D1130 HydrophobicContact CG2-CB 4.08Å; T1125-Q1131 VanDerWaalsContact CG2-CA 3.41Å; T1125-Q1131 HydrophobicContact CG2-CB 3.87Å; T1125-Q1131 HydrophobicContact CG2-CG 4.35Å; T1125-Q1131 VanDerWaalsContact CG2-OE1 3.27Å; T1125-Q1131 PolarHBondContact O-OE1 2.98Å; T1125-V1134 HydrophobicContact CG2-CB 4.08Å; T1125-V1134 HydrophobicContact CG2-CG1 4.15Å; T1125-V1134 HydrophobicContact CG2-CG2 4.23Å; T1125-R1199 PolarHBondContact OG1-NH2 3.16Å
1126I87.8Confident85.5Confident97 Ų9762.4 Ų62.450%0.49732%0.323SS..SBendtrans-67.7-9.4170.967157.1000113.5Y1117 Y1118 D1119 P1128Y1117-I1126 HydrophobicContact CD1-CD1 4.08Å; Y1118-I1126 VanDerWaalsContact O-CD1 3.24Å; Y1118-I1126 WeakPolarHBondContact O-CD1 3.42Å; D1119-I1126 HydrophobicContact CB-CG1 4.23Å; D1119-I1126 WeakPolarHBondContact OD1-CG1 3.38Å; D1119-I1126 PolarHBondContact OD1-N 3.11Å; I1126-P1128 WeakPolarHBondContact O-CD 3.42Å
1127I87.9Confident85.1Confident9 Ų964.1 Ų64.15%0.04633%0.33CS..  trans-100.9106.4178.9-48.2-176.7000108.1Y1117 T1125 E1129 D1130 L1152Y1117-I1127 HydrophobicContact CD1-CD1 3.99Å; Y1117-I1127 HydrophobicContact CD1-CG1 4.21Å; Y1117-I1127 HydrophobicContact CD2-CD1 3.46Å; Y1117-I1127 VanDerWaalsContact CD2-CD1 3.46Å; Y1117-I1127 HydrophobicContact CE1-CD1 4.06Å; Y1117-I1127 HydrophobicContact CE1-CG1 4.25Å; Y1117-I1127 HydrophobicContact CE2-CD1 3.52Å; Y1117-I1127 HydrophobicContact CG-CD1 3.7Å; Y1117-I1127 HydrophobicContact CG-CG1 4.34Å; T1125-I1127 PolarHBondContact O-N 3.01Å; T1125-I1127 WeakPolarHBondContact OG1-CA 3.39Å; T1125-I1127 WeakPolarHBondContact OG1-CB 3.26Å; T1125-I1127 PolarHBondContact OG1-N 3.37Å; T1125-I1127 PolarHBondContact OG1-O 2.92Å; I1127-E1129 VanDerWaalsContact C-N 3.29Å; I1127-E1129 HydrophobicContact CG2-CB 4.35Å; I1127-E1129 PolarHBondContact O-N 2.92Å; I1127-D1130 HydrophobicContact CB-CB 4.21Å; I1127-D1130 HydrophobicContact CG2-CB 4.33Å; I1127-D1130 PolarHBondContact O-N 2.83Å; I1127-D1130 VanDerWaalsContact O-N 3.07Å; I1127-L1152 HydrophobicContact CD1-CD2 4.37Å
1128P85.8Confident84.7Confident111 Ų11161 Ų6172%0.72132%0.318SS*.G310 helixtrans-65.1-31.3-173.3-23.534.9000113.8I1126 D1130 Q1131I1126-P1128 WeakPolarHBondContact O-CD 3.42Å; P1128-D1130 PolarHBondContact O-N 2.93Å; P1128-Q1131 PolarHBondContact O-N 2.93Å
1129E86Confident84.1Confident124 Ų12462.3 Ų62.358%0.57933%0.328SS*.G310 helixtrans-62.4-22.7175.3-61.4170.3-169.800113.3I1127 R1154I1127-E1129 VanDerWaalsContact C-N 3.29Å; I1127-E1129 HydrophobicContact CG2-CB 4.35Å; I1127-E1129 PolarHBondContact O-N 2.92Å; E1129-R1154 IonicContact OE2-CZ 2.69Å; E1129-R1154 IonicContact OE2-NH1 3.16Å; E1129-R1154 IonicContact OE2-NH2 3.41Å; E1129-R1154 PolarHBondContact OE2-NH2 3.25Å
1130D89.6Confident83.4Confident0 Ų069.8 Ų69.80%037%0.365CS..G310 helixtrans-94.3-17.5-176-65.3-5.2000112.6T1125 I1127 P1128 D1132 W1133 V1134 R1154 R1199T1125-D1130 HydrophobicContact CG2-CB 4.08Å; I1127-D1130 HydrophobicContact CB-CB 4.21Å; I1127-D1130 HydrophobicContact CG2-CB 4.33Å; I1127-D1130 PolarHBondContact O-N 2.83Å; I1127-D1130 VanDerWaalsContact O-N 3.07Å; P1128-D1130 PolarHBondContact O-N 2.93Å; D1130-D1132 PolarHBondContact O-N 3.46Å; D1130-W1133 HydrophobicContact CB-CZ2 4.02Å; D1130-W1133 PolarHBondContact O-N 3.32Å; D1130-V1134 HydrophobicContact CB-CG2 4.04Å; D1130-V1134 VanDerWaalsContact O-CB 3.28Å; D1130-V1134 WeakPolarHBondContact O-CB 3.39Å; D1130-V1134 WeakPolarHBondContact O-CG2 3.15Å; D1130-V1134 PolarHBondContact O-N 3.45Å; D1130-R1154 IonicContact OD1-CZ 3.09Å; D1130-R1154 VanDerWaalsContact OD1-CZ 3.24Å; D1130-R1154 IonicContact OD1-NE 3.61Å; D1130-R1154 PolarHBondContact OD1-NE 2.82Å; D1130-R1154 IonicContact OD1-NH2 2.77Å; D1130-R1154 PolarHBondContact OD1-NH2 3.34Å; D1130-R1154 IonicContact OD2-CZ 3.34Å; D1130-R1154 IonicContact OD2-NE 2.73Å; D1130-R1154 PolarHBondContact OD2-NE 2.92Å; D1130-R1154 VanDerWaalsContact OD2-NE 3.07Å; D1130-R1199 IonicContact OD2-CZ 3.08Å; D1130-R1199 VanDerWaalsContact OD2-CZ 3.29Å; D1130-R1199 IonicContact OD2-NE 3.39Å; D1130-R1199 PolarHBondContact OD2-NE 3.03Å; D1130-R1199 IonicContact OD2-NH2 2.96Å; D1130-R1199 PolarHBondContact OD2-NH2 2.95Å
1131Q86.1Confident82.6Confident41 Ų4169.3 Ų69.319%0.19236%0.362CS..Hα-helixtrans-61.8-42.6-164.4-171.668.661.400113.6T1125 P1128 W1133 N1135T1125-Q1131 VanDerWaalsContact CG2-CA 3.41Å; T1125-Q1131 HydrophobicContact CG2-CB 3.87Å; T1125-Q1131 HydrophobicContact CG2-CG 4.35Å; T1125-Q1131 VanDerWaalsContact CG2-OE1 3.27Å; T1125-Q1131 PolarHBondContact O-OE1 2.98Å; P1128-Q1131 PolarHBondContact O-N 2.93Å; Q1131-W1133 PolarHBondContact O-N 3.06Å; Q1131-N1135 PolarHBondContact NE2-OD1 3Å; Q1131-N1135 WeakPolarHBondContact O-CB 3.14Å; Q1131-N1135 PolarHBondContact O-N 3.09Å; Q1131-N1135 PolarHBondContact O-ND2 3.36Å
1132D83.2Confident82Confident132 Ų13274 Ų7471%0.70639%0.387SS*.Hα-helixtrans-65.1-41-173.9-68.9-18.1000112.4D1130 V1136D1130-D1132 PolarHBondContact O-N 3.46Å; D1132-V1136 WeakPolarHBondContact O-CG2 3.48Å; D1132-V1136 PolarHBondContact O-N 2.94Å
1133W87.5Confident81.5Confident48 Ų4875.8 Ų75.818%0.18239%0.393CS..Hα-helixtrans-88.7-26.8179.661.8-92.5000113.5D1130 Q1131 N1135 V1136 F1137 I1187 T1189 I1197 R1199D1130-W1133 HydrophobicContact CB-CZ2 4.02Å; D1130-W1133 PolarHBondContact O-N 3.32Å; Q1131-W1133 PolarHBondContact O-N 3.06Å; W1133-N1135 VanDerWaalsContact C-N 3.35Å; W1133-V1136 PolarHBondContact O-N 2.84Å; W1133-F1137 PolarHBondContact O-N 3.3Å; W1133-I1187 HydrophobicContact CE3-CG2 4.35Å; W1133-I1187 HydrophobicContact CZ3-CB 4.34Å; W1133-I1187 HydrophobicContact CZ3-CG2 3.84Å; W1133-T1189 HydrophobicContact CD2-CG2 3.74Å; W1133-T1189 HydrophobicContact CE3-CG2 4.25Å; W1133-T1189 HydrophobicContact CG-CG2 4.16Å; W1133-T1189 HydrophobicContact CH2-CG2 4.12Å; W1133-T1189 HydrophobicContact CZ2-CG2 3.63Å; W1133-T1189 HydrophobicContact CZ3-CG2 4.42Å; W1133-I1197 HydrophobicContact CH2-CB 4.44Å; W1133-I1197 HydrophobicContact CH2-CG2 4.02Å; W1133-I1197 HydrophobicContact CZ2-CB 4.05Å; W1133-I1197 HydrophobicContact CZ2-CD1 4.39Å; W1133-I1197 HydrophobicContact CZ2-CG2 3.8Å; W1133-R1199 HydrophobicContact CH2-CB 4.22Å; W1133-R1199 HydrophobicContact CH2-CG 3.71Å; W1133-R1199 HydrophobicContact CZ2-CG 4.44Å; W1133-R1199 HydrophobicContact CZ3-CG 4.49Å
1134V84.7Confident80.9Confident0 Ų076.1 Ų76.10%040%0.395CS..Hα-helixtrans-62.7-43168168.40000110.3T1125 D1130 V1136 F1137 F1138T1125-V1134 HydrophobicContact CG2-CB 4.08Å; T1125-V1134 HydrophobicContact CG2-CG1 4.15Å; T1125-V1134 HydrophobicContact CG2-CG2 4.23Å; D1130-V1134 HydrophobicContact CB-CG2 4.04Å; D1130-V1134 VanDerWaalsContact O-CB 3.28Å; D1130-V1134 WeakPolarHBondContact O-CB 3.39Å; D1130-V1134 WeakPolarHBondContact O-CG2 3.15Å; D1130-V1134 PolarHBondContact O-N 3.45Å; V1134-V1136 PolarHBondContact O-N 2.8Å; V1134-F1137 PolarHBondContact O-N 2.9Å; V1134-F1138 HydrophobicContact CG1-CD2 3.89Å; V1134-F1138 HydrophobicContact CG1-CE2 4.11Å; V1134-F1138 WeakPolarHBondContact O-CD2 3.3Å; V1134-F1138 PolarHBondContact O-N 2.86Å; V1134-F1138 VanDerWaalsContact O-N 3.15Å
1135N82.7Confident80.3Confident65 Ų6572.9 Ų72.935%0.34838%0.379SS..Hα-helixtrans-53.9-54.2172.7-77-18000111.4Q1131 W1133 F1137 F1138 E1139Q1131-N1135 PolarHBondContact NE2-OD1 3Å; Q1131-N1135 WeakPolarHBondContact O-CB 3.14Å; Q1131-N1135 PolarHBondContact O-N 3.09Å; Q1131-N1135 PolarHBondContact O-ND2 3.36Å; W1133-N1135 VanDerWaalsContact C-N 3.35Å; N1135-F1137 VanDerWaalsContact C-N 3.31Å; N1135-F1137 PolarHBondContact O-N 3.18Å; N1135-F1138 CarbonylContact O-C 3.49Å; N1135-F1138 PolarHBondContact O-N 3.41Å; N1135-E1139 PolarHBondContact O-N 3.19Å
1136V83.2Confident79.6Confident98 Ų9880.4 Ų80.459%0.59441%0.413SS*.Hα-helixtrans-58.4-40.9-178.4170.30000112D1132 W1133 V1134 F1138 E1139D1132-V1136 WeakPolarHBondContact O-CG2 3.48Å; D1132-V1136 PolarHBondContact O-N 2.94Å; W1133-V1136 PolarHBondContact O-N 2.84Å; V1134-V1136 PolarHBondContact O-N 2.8Å; V1136-F1138 VanDerWaalsContact C-N 3.31Å; V1136-F1138 PolarHBondContact O-N 2.8Å; V1136-E1139 PolarHBondContact O-N 3.09Å
1137F82Confident79.2Confident80 Ų8082 Ų8235%0.35141%0.413SS..Hα-helixtrans-65.5-33177.3-171.4-96.1000113W1133 V1134 N1135 F1143 I1187W1133-F1137 PolarHBondContact O-N 3.3Å; V1134-F1137 PolarHBondContact O-N 2.9Å; N1135-F1137 VanDerWaalsContact C-N 3.31Å; N1135-F1137 PolarHBondContact O-N 3.18Å; F1137-F1143 AromaticContact CE1-CE1 3.96Å; F1137-F1143 HydrophobicContact CE1-CE1 3.96Å; F1137-F1143 AromaticContact CE1-CZ 3.97Å; F1137-F1143 HydrophobicContact CE1-CZ 3.97Å; F1137-F1143 HydrophobicContact CZ-CE1 4.49Å; F1137-I1187 HydrophobicContact CB-CG2 3.94Å; F1137-I1187 HydrophobicContact CD1-CB 4.43Å; F1137-I1187 HydrophobicContact CD1-CD1 3.84Å; F1137-I1187 HydrophobicContact CD1-CG1 4.04Å; F1137-I1187 HydrophobicContact CD1-CG2 3.56Å; F1137-I1187 HydrophobicContact CD2-CG2 3.62Å; F1137-I1187 HydrophobicContact CE1-CB 4.35Å; F1137-I1187 HydrophobicContact CE1-CD1 3.91Å; F1137-I1187 HydrophobicContact CE1-CG1 3.74Å; F1137-I1187 HydrophobicContact CE1-CG2 3.87Å; F1137-I1187 HydrophobicContact CE2-CG2 3.92Å; F1137-I1187 HydrophobicContact CG-CG2 3.42Å; F1137-I1187 VanDerWaalsContact CG-CG2 3.42Å; F1137-I1187 HydrophobicContact CZ-CG1 4.2Å; F1137-I1187 HydrophobicContact CZ-CG2 4.04Å
1138F80.7Confident78.7Confident18 Ų1882.2 Ų82.28%0.07942%0.415CS..Hα-helixtrans-93.94.9179.6-75.3-71.7000114.7P1122 L1123 V1134 N1135 V1136 M1140 P1141 F1143 V1145 L1185 I1187P1122-F1138 HydrophobicContact CB-CZ 4.23Å; P1122-F1138 WeakPolarHBondContact O-CE2 3.47Å; L1123-F1138 HydrophobicContact CD2-CB 3.81Å; L1123-F1138 HydrophobicContact CD2-CD1 3.73Å; L1123-F1138 HydrophobicContact CD2-CD2 4.44Å; L1123-F1138 HydrophobicContact CD2-CE1 4.38Å; L1123-F1138 HydrophobicContact CD2-CG 3.76Å; V1134-F1138 HydrophobicContact CG1-CD2 3.89Å; V1134-F1138 HydrophobicContact CG1-CE2 4.11Å; V1134-F1138 WeakPolarHBondContact O-CD2 3.3Å; V1134-F1138 PolarHBondContact O-N 2.86Å; V1134-F1138 VanDerWaalsContact O-N 3.15Å; N1135-F1138 CarbonylContact O-C 3.49Å; N1135-F1138 PolarHBondContact O-N 3.41Å; V1136-F1138 VanDerWaalsContact C-N 3.31Å; V1136-F1138 PolarHBondContact O-N 2.8Å; F1138-M1140 PolarHBondContact O-N 2.85Å; F1138-P1141 HydrophobicContact CD1-CB 4.35Å; F1138-F1143 HydrophobicContact CD1-CZ 4.3Å; F1138-F1143 AromaticContact CE1-CE2 3.77Å; F1138-F1143 HydrophobicContact CE1-CE2 3.77Å; F1138-F1143 AromaticContact CE1-CZ 3.51Å; F1138-F1143 HydrophobicContact CE1-CZ 3.51Å; F1138-F1143 HydrophobicContact CZ-CE2 4.42Å; F1138-F1143 HydrophobicContact CZ-CZ 4.13Å; F1138-V1145 HydrophobicContact CD1-CG2 4.14Å; F1138-V1145 HydrophobicContact CE1-CG1 4.11Å; F1138-V1145 HydrophobicContact CE1-CG2 3.93Å; F1138-L1185 HydrophobicContact CZ-CD2 4.36Å; F1138-I1187 HydrophobicContact CE2-CD1 3.58Å; F1138-I1187 HydrophobicContact CZ-CD1 3.75Å
1139E76.5Confident78.6Confident155 Ų15576.9 Ų76.972%0.72438%0.381SS*.THydrogen-bonded Turntrans-65-25.7170.6-73.4-166.3161.200112.4N1135 V1136N1135-E1139 PolarHBondContact O-N 3.19Å; V1136-E1139 PolarHBondContact O-N 3.09Å
1140M74.1Confident78.6Confident157 Ų15772.9 Ų72.977%0.77337%0.365SS*.SBendtrans-137.481.1176.1-68.2-174.259.500111.2F1138 D1142F1138-M1140 PolarHBondContact O-N 2.85Å; M1140-D1142 PolarHBondContact O-N 3.46Å
1141P64.8Low78.5Confident64 Ų6476.4 Ų76.442%0.41638%0.379SS..  trans-82.9110.6-176.531.2-31.8000112.4F1138 F1143 V1145F1138-P1141 HydrophobicContact CD1-CB 4.35Å; P1141-F1143 PolarHBondContact O-N 3.15Å; P1141-V1145 HydrophobicContact CB-CG2 3.99Å
1142D70.5Confident78.7Confident158 Ų15874.5 Ų74.585%0.84537%0.37SS*.  trans-76.8-3.3178-72.6-24.2000114.3M1140M1140-D1142 PolarHBondContact O-N 3.46Å
1143F70.2Confident79.1Confident54 Ų5468.2 Ų68.224%0.23734%0.336CS..SBendtrans-134.5155.5-172.555.7-88000111.7F1137 F1138 P1141 V1145 L1185 M1203F1137-F1143 AromaticContact CE1-CE1 3.96Å; F1137-F1143 HydrophobicContact CE1-CE1 3.96Å; F1137-F1143 AromaticContact CE1-CZ 3.97Å; F1137-F1143 HydrophobicContact CE1-CZ 3.97Å; F1137-F1143 HydrophobicContact CZ-CE1 4.49Å; F1138-F1143 HydrophobicContact CD1-CZ 4.3Å; F1138-F1143 AromaticContact CE1-CE2 3.77Å; F1138-F1143 HydrophobicContact CE1-CE2 3.77Å; F1138-F1143 AromaticContact CE1-CZ 3.51Å; F1138-F1143 HydrophobicContact CE1-CZ 3.51Å; F1138-F1143 HydrophobicContact CZ-CE2 4.42Å; F1138-F1143 HydrophobicContact CZ-CZ 4.13Å; P1141-F1143 PolarHBondContact O-N 3.15Å; F1143-V1145 HydrophobicContact CD2-CG2 4.44Å; F1143-V1145 HydrophobicContact CE2-CG2 4.14Å; F1143-V1145 PolarHBondContact O-N 2.98Å; F1143-L1185 HydrophobicContact CD1-CD1 4.45Å; F1143-L1185 HydrophobicContact CD2-CD1 4.47Å; F1143-L1185 HydrophobicContact CD2-CD2 4.43Å; F1143-L1185 HydrophobicContact CE1-CD1 3.88Å; F1143-L1185 HydrophobicContact CE2-CD1 3.9Å; F1143-L1185 HydrophobicContact CE2-CD2 3.5Å; F1143-L1185 HydrophobicContact CE2-CG 4.36Å; F1143-L1185 HydrophobicContact CZ-CD1 3.58Å; F1143-L1185 HydrophobicContact CZ-CD2 3.72Å; F1143-L1185 HydrophobicContact CZ-CG 4.32Å; F1143-M1203 HydrophobicContact CD2-CE 4.47Å
1144N68.4Low79.4Confident80 Ų8067 Ų6743%0.42833%0.332SS..  trans-75.1101.3177.6-171.3-2000111.1E1146 R1147N1144-E1146 PolarHBondContact ND2-OE2 3.17Å; N1144-E1146 PolarHBondContact O-N 3.35Å; N1144-E1146 VanDerWaalsContact O-N 3.17Å; N1144-E1146 WeakPolarHBondContact OD1-CB 3.33Å; N1144-E1146 WeakPolarHBondContact OD1-CG 3.32Å; N1144-E1146 PolarHBondContact OD1-N 3.09Å; N1144-E1146 PolarHBondContact OD1-OE2 3.31Å; N1144-R1147 PolarHBondContact O-N 2.9Å; N1144-R1147 VanDerWaalsContact O-N 3.13Å
1145V70.7Confident79.7Confident25 Ų2567 Ų6715%0.15233%0.332CS..G310 helixtrans-55-27.4178.8-172.20000113.2P1122 L1123 F1138 P1141 F1143 R1147 C1148P1122-V1145 HydrophobicContact CB-CG1 3.5Å; P1122-V1145 HydrophobicContact CG-CG1 3.8Å; L1123-V1145 HydrophobicContact CD2-CG1 4.11Å; L1123-V1145 HydrophobicContact CG-CG1 4.32Å; F1138-V1145 HydrophobicContact CD1-CG2 4.14Å; F1138-V1145 HydrophobicContact CE1-CG1 4.11Å; F1138-V1145 HydrophobicContact CE1-CG2 3.93Å; P1141-V1145 HydrophobicContact CB-CG2 3.99Å; F1143-V1145 HydrophobicContact CD2-CG2 4.44Å; F1143-V1145 HydrophobicContact CE2-CG2 4.14Å; F1143-V1145 PolarHBondContact O-N 2.98Å; V1145-R1147 PolarHBondContact O-N 3.43Å; V1145-C1148 PolarHBondContact O-N 2.92Å; V1145-C1148 VanDerWaalsContact O-N 3.15Å; V1145-C1148 PolarHBondContact O-SG 3.17Å
1146E70.1Confident80.3Confident172 Ų17266.3 Ų66.380%0.80433%0.326SS*.G310 helixtrans-62.4-14.1177.2-60.8176143.700113.8N1144N1144-E1146 PolarHBondContact ND2-OE2 3.17Å; N1144-E1146 PolarHBondContact O-N 3.35Å; N1144-E1146 VanDerWaalsContact O-N 3.17Å; N1144-E1146 WeakPolarHBondContact OD1-CB 3.33Å; N1144-E1146 WeakPolarHBondContact OD1-CG 3.32Å; N1144-E1146 PolarHBondContact OD1-N 3.09Å; N1144-E1146 PolarHBondContact OD1-OE2 3.31Å
1147R77.5Confident80.7Confident130 Ų13061.8 Ų61.849%0.49130%0.299SS..G310 helixtrans-88.1-9.6178.1-63.8-173.8179.4-176.5-1114.2N1144 V1145 S1149 M1203 N1204N1144-R1147 PolarHBondContact O-N 2.9Å; N1144-R1147 VanDerWaalsContact O-N 3.13Å; V1145-R1147 PolarHBondContact O-N 3.43Å; R1147-S1149 PolarHBondContact O-N 3.4Å; R1147-M1203 HydrophobicContact CB-CE 4.38Å; R1147-M1203 HydrophobicContact CB-SD 4.45Å; R1147-N1204 WeakPolarHBondContact O-CB 3.12Å; R1147-N1204 PolarHBondContact O-N 3.48Å
1148C78.6Confident81.1Confident14 Ų1459.5 Ų59.510%0.09529%0.29CS..EExtended strand (participates in β ladder)trans-72.6129.3-176.4-59.70000111.2P1122 V1145 L1185P1122-C1148 HydrophobicContact CB-CB 4.37Å; P1122-C1148 HydrophobicContact CG-CB 3.84Å; V1145-C1148 PolarHBondContact O-N 2.92Å; V1145-C1148 VanDerWaalsContact O-N 3.15Å; V1145-C1148 PolarHBondContact O-SG 3.17Å; C1148-L1185 VanDerWaalsContact SG-CD2 3.55Å
1149S83.5Confident81.5Confident0 Ų063.1 Ų63.10%030%0.304CS..EExtended strand (participates in β ladder)trans-58.6142.2169.9174.20000110.7R1147 W1151 R1201 I1202 D1223R1147-S1149 PolarHBondContact O-N 3.4Å; S1149-W1151 PolarHBondContact O-N 2.88Å; S1149-W1151 PolarHBondContact OG-N 2.98Å; S1149-R1201 PolarHBondContact O-NH1 2.91Å; S1149-I1202 PolarHBondContact N-O 3.13Å; S1149-D1223 WeakPolarHBondContact CB-OD2 3.31Å; S1149-D1223 PolarHBondContact OG-OD2 2.63Å
1150P85.5Confident82Confident40 Ų4063 Ų6326%0.2630%0.3SS..EExtended strand (participates in β ladder)trans-67.4-11.3173.530.6-37.6000112.7Y1118 D1119 P1120Y1118-P1150 HydrophobicContact CD2-CB 4.21Å; Y1118-P1150 HydrophobicContact CD2-CG 4.47Å; Y1118-P1150 HydrophobicContact CE2-CB 3.65Å; Y1118-P1150 HydrophobicContact CE2-CG 3.74Å; D1119-P1150 CarbonylContact C-O 3.48Å; D1119-P1150 PolarHBondContact N-O 2.94Å; P1120-P1150 HydrophobicContact CB-CB 4.42Å
1151W88.8Confident82.5Confident74 Ų7459 Ų5928%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-86.1133.8174.3-6599.5000111.9I1116 Y1118 S1149 D1223 D1224 L1227I1116-W1151 HydrophobicContact CG2-CE3 3.88Å; I1116-W1151 HydrophobicContact CG2-CZ3 4.31Å; Y1118-W1151 AromaticContact CD2-CD2 3.95Å; Y1118-W1151 HydrophobicContact CD2-CD2 3.95Å; Y1118-W1151 AromaticContact CD2-CE2 3.8Å; Y1118-W1151 HydrophobicContact CD2-CE3 4.19Å; Y1118-W1151 HydrophobicContact CD2-CH2 4.22Å; Y1118-W1151 AromaticContact CD2-CZ2 3.96Å; Y1118-W1151 HydrophobicContact CD2-CZ2 3.96Å; Y1118-W1151 HydrophobicContact CD2-CZ3 4.32Å; S1149-W1151 PolarHBondContact O-N 2.88Å; S1149-W1151 PolarHBondContact OG-N 2.98Å; W1151-D1223 HydrophobicContact CG-CB 4.11Å; W1151-D1224 HydrophobicContact CD2-CB 4.03Å; W1151-D1224 HydrophobicContact CE3-CB 4.14Å; W1151-D1224 HydrophobicContact CH2-CB 4.15Å; W1151-D1224 HydrophobicContact CZ2-CB 4.05Å; W1151-D1224 HydrophobicContact CZ3-CB 4.19Å; W1151-L1227 HydrophobicContact CB-CD2 4.09Å
1152L89.5Confident83.5Confident1 Ų156.2 Ų56.21%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-129127.3-173.6173.371.9000110.5I1116 Y1117 D1119 I1127 R1199 R1201I1116-L1152 CarbonylContact C-O 3.37Å; I1116-L1152 WeakPolarHBondContact CA-O 3.18Å; Y1117-L1152 PolarHBondContact N-O 3.12Å; Y1117-L1152 PolarHBondContact O-N 2.96Å; D1119-L1152 HydrophobicContact CB-CB 4.13Å; D1119-L1152 HydrophobicContact CB-CD2 4Å; I1127-L1152 HydrophobicContact CD1-CD2 4.37Å; L1152-R1199 HydrophobicContact CD1-CB 3.79Å; L1152-R1199 HydrophobicContact CD1-CG 3.92Å; L1152-R1199 HydrophobicContact CD2-CG 4.22Å; L1152-R1199 VanDerWaalsContact CD2-NH2 3.31Å; L1152-R1201 HydrophobicContact CB-CG 4.44Å; L1152-R1201 HydrophobicContact CD1-CG 3.72Å
1153L91.8Very high84.3Confident0 Ų053.5 Ų53.50%025%0.249CC..EExtended strand (participates in β ladder)trans-96.4112.2167.6173.362.4000109.1I1116 I1155 I1200 L1227 E1231 L1234I1116-L1153 HydrophobicContact CG1-CD1 3.93Å; L1153-I1155 HydrophobicContact CD1-CG1 4.27Å; L1153-I1155 HydrophobicContact CD2-CD1 4.05Å; L1153-I1155 HydrophobicContact CD2-CG1 4.32Å; L1153-I1155 HydrophobicContact CG-CD1 4.21Å; L1153-I1155 HydrophobicContact CG-CG1 3.92Å; L1153-I1200 HydrophobicContact CB-CB 4.29Å; L1153-I1200 PolarHBondContact N-O 3.37Å; L1153-I1200 PolarHBondContact O-N 3.24Å; L1153-L1227 HydrophobicContact CB-CD1 4.37Å; L1153-L1227 HydrophobicContact CB-CD2 3.96Å; L1153-L1227 HydrophobicContact CB-CG 4.13Å; L1153-E1231 HydrophobicContact CD1-CB 4.27Å; L1153-E1231 HydrophobicContact CD1-CG 3.96Å; L1153-E1231 HydrophobicContact CD2-CB 3.86Å; L1153-E1231 HydrophobicContact CD2-CG 4.19Å; L1153-L1234 HydrophobicContact CD2-CD1 4.15Å
1154R92.9Very high84.8Confident22 Ų2254.4 Ų54.48%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-94.8127.2171.2-167179.1-173.1-118.124109.1T1114 A1115 Y1117 E1129 D1130 I1197 F1198T1114-R1154 WeakPolarHBondContact CA-O 3.39Å; A1115-R1154 PolarHBondContact N-O 3.01Å; A1115-R1154 PolarHBondContact O-N 3.26Å; Y1117-R1154 HydrophobicContact CD2-CB 4.17Å; Y1117-R1154 HydrophobicContact CE2-CB 4.19Å; E1129-R1154 IonicContact OE2-CZ 2.69Å; E1129-R1154 IonicContact OE2-NH1 3.16Å; E1129-R1154 IonicContact OE2-NH2 3.41Å; E1129-R1154 PolarHBondContact OE2-NH2 3.25Å; D1130-R1154 IonicContact OD1-CZ 3.09Å; D1130-R1154 VanDerWaalsContact OD1-CZ 3.24Å; D1130-R1154 IonicContact OD1-NE 3.61Å; D1130-R1154 PolarHBondContact OD1-NE 2.82Å; D1130-R1154 IonicContact OD1-NH2 2.77Å; D1130-R1154 PolarHBondContact OD1-NH2 3.34Å; D1130-R1154 IonicContact OD2-CZ 3.34Å; D1130-R1154 IonicContact OD2-NE 2.73Å; D1130-R1154 PolarHBondContact OD2-NE 2.92Å; D1130-R1154 VanDerWaalsContact OD2-NE 3.07Å; R1154-I1197 HydrophobicContact CG-CG2 3.62Å; R1154-F1198 CarbonylContact C-O 3.55Å; R1154-F1198 VanDerWaalsContact CA-O 3.3Å; R1154-F1198 WeakPolarHBondContact CA-O 3.33Å
1155I92.7Very high85.6Confident0 Ų052.2 Ų52.20%024%0.244CC..EExtended strand (participates in β ladder)trans-121.7120.7178.2-50.4-175.7000108.5L1107 T1111 T1114 L1153 V1157 I1197 F1198 I1200L1107-I1155 HydrophobicContact CD2-CD1 3.88Å; T1111-I1155 HydrophobicContact CG2-CG2 3.76Å; T1114-I1155 HydrophobicContact CG2-CB 4.43Å; T1114-I1155 HydrophobicContact CG2-CG1 4.05Å; T1114-I1155 HydrophobicContact CG2-CG2 4.11Å; L1153-I1155 HydrophobicContact CD1-CG1 4.27Å; L1153-I1155 HydrophobicContact CD2-CD1 4.05Å; L1153-I1155 HydrophobicContact CD2-CG1 4.32Å; L1153-I1155 HydrophobicContact CG-CD1 4.21Å; L1153-I1155 HydrophobicContact CG-CG1 3.92Å; I1155-V1157 HydrophobicContact CG2-CG2 4.42Å; I1155-I1197 CarbonylContact O-C 3.56Å; I1155-I1197 WeakPolarHBondContact O-CA 3.41Å; I1155-F1198 HydrophobicContact CB-CB 4.26Å; I1155-F1198 PolarHBondContact N-O 2.91Å; I1155-F1198 PolarHBondContact O-N 2.82Å; I1155-I1200 HydrophobicContact CD1-CD1 3.94Å
1156E93.8Very high86.4Confident50 Ų5055.9 Ų55.923%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-96.6137.4177.4-172.1-165.617400109.8T1111 L1112 S1113T1111-E1156 CarbonylContact C-O 3.58Å; T1111-E1156 WeakPolarHBondContact CA-O 3.32Å; T1111-E1156 WeakPolarHBondContact CG2-O 3.21Å; L1112-E1156 HydrophobicContact CB-CB 4.35Å; L1112-E1156 HydrophobicContact CB-CG 4.13Å; L1112-E1156 HydrophobicContact CD1-CG 4.14Å; L1112-E1156 PolarHBondContact N-O 3.46Å; S1113-E1156 WeakPolarHBondContact CB-OE2 3.36Å; S1113-E1156 PolarHBondContact O-N 3Å; S1113-E1156 WeakPolarHBondContact OG-CB 3.28Å; S1113-E1156 PolarHBondContact OG-OE2 3.17Å
1157V92Very high87.2Confident4 Ų448.2 Ų48.22%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-123.1136.9-170.1-172.20000112.6M1110 I1155 R1159 M1162 L1196 F1198M1110-V1157 HydrophobicContact CB-CG1 3.98Å; I1155-V1157 HydrophobicContact CG2-CG2 4.42Å; V1157-R1159 PolarHBondContact O-N 3.19Å; V1157-R1159 VanDerWaalsContact O-N 3.15Å; V1157-M1162 HydrophobicContact CG1-CG 3.62Å; V1157-M1162 HydrophobicContact CG1-SD 3.79Å; V1157-L1196 HydrophobicContact CB-CB 4.25Å; V1157-L1196 PolarHBondContact N-O 2.88Å; V1157-F1198 HydrophobicContact CG2-CD2 3.89Å; V1157-F1198 HydrophobicContact CG2-CE2 3.93Å
1158D90.3Very high87.9Confident31 Ų3144.5 Ų44.517%0.16621%0.213CC..  trans-72.4103.8-178.9-173.6-24.6000111.6M1110 L1112 K1160 K1161 M1162M1110-D1158 WeakPolarHBondContact O-CB 3.26Å; M1110-D1158 PolarHBondContact O-N 3.43Å; L1112-D1158 HydrophobicContact CD1-CB 4.4Å; L1112-D1158 HydrophobicContact CD2-CB 3.85Å; L1112-D1158 HydrophobicContact CG-CB 3.85Å; D1158-K1160 PolarHBondContact O-N 2.98Å; D1158-K1160 WeakPolarHBondContact OD1-CA 3.49Å; D1158-K1160 VanDerWaalsContact OD1-CB 3.28Å; D1158-K1160 WeakPolarHBondContact OD1-CB 3.47Å; D1158-K1160 PolarHBondContact OD1-N 3.22Å; D1158-K1161 HydrophobicContact CB-CB 4.19Å; D1158-K1161 HydrophobicContact CB-CD 4.02Å; D1158-K1161 HydrophobicContact CB-CG 4.05Å; D1158-K1161 PolarHBondContact O-N 2.86Å; D1158-K1161 VanDerWaalsContact O-N 3.07Å; D1158-K1161 PolarHBondContact OD1-N 2.84Å; D1158-K1161 WeakPolarHBondContact OD2-CE 3.46Å; D1158-K1161 WeakPolarHBondContact OD2-CG 3.49Å; D1158-K1161 IonicContact OD2-NZ 2.97Å; D1158-K1161 PolarHBondContact OD2-NZ 3.19Å; D1158-M1162 PolarHBondContact O-N 3.46Å
1159R89.5Confident88.5Confident95 Ų9543.9 Ų43.936%0.35821%0.209SC..Hα-helixtrans-49.6-41.5175.5-173.6-170.3-62.2-80.30.9112.5V1157 K1161 M1162 T1163 D1191 A1193 D1194 L1196V1157-R1159 PolarHBondContact O-N 3.19Å; V1157-R1159 VanDerWaalsContact O-N 3.15Å; R1159-K1161 VanDerWaalsContact C-N 3.3Å; R1159-K1161 PolarHBondContact O-N 2.85Å; R1159-M1162 PolarHBondContact O-N 2.82Å; R1159-T1163 PolarHBondContact O-N 2.91Å; R1159-T1163 PolarHBondContact O-OG1 3.05Å; R1159-T1163 VanDerWaalsContact O-OG1 3.08Å; R1159-D1191 PolarHBondContact NH1-O 3.5Å; R1159-A1193 PolarHBondContact NH2-O 3.03Å; R1159-D1194 PolarHBondContact NH2-O 3.21Å; R1159-L1196 HydrophobicContact CB-CD1 4.03Å; R1159-L1196 HydrophobicContact CG-CD1 4.24Å
1160K86.1Confident88.8Confident151 Ų15150.1 Ų50.166%0.65724%0.239SC*.Hα-helixtrans-62-41.9-177.5-175.3170.9-178.51680110.6D1158 D1164D1158-K1160 PolarHBondContact O-N 2.98Å; D1158-K1160 WeakPolarHBondContact OD1-CA 3.49Å; D1158-K1160 VanDerWaalsContact OD1-CB 3.28Å; D1158-K1160 WeakPolarHBondContact OD1-CB 3.47Å; D1158-K1160 PolarHBondContact OD1-N 3.22Å; K1160-D1164 WeakPolarHBondContact O-CB 3.48Å; K1160-D1164 PolarHBondContact O-N 3.1Å
1161K84.6Confident89.1Confident75 Ų7549.7 Ų49.733%0.32624%0.237SC..Hα-helixtrans-72.3-38.7178-61.3-178.3-163.81110112.7K1109 D1158 R1159 D1164 K1165K1109-K1161 WeakPolarHBondContact O-CD 3.33Å; K1109-K1161 VanDerWaalsContact O-CE 3.23Å; K1109-K1161 WeakPolarHBondContact O-CE 3.32Å; K1109-K1161 PolarHBondContact O-NZ 3.48Å; D1158-K1161 HydrophobicContact CB-CB 4.19Å; D1158-K1161 HydrophobicContact CB-CD 4.02Å; D1158-K1161 HydrophobicContact CB-CG 4.05Å; D1158-K1161 PolarHBondContact O-N 2.86Å; D1158-K1161 VanDerWaalsContact O-N 3.07Å; D1158-K1161 PolarHBondContact OD1-N 2.84Å; D1158-K1161 WeakPolarHBondContact OD2-CE 3.46Å; D1158-K1161 WeakPolarHBondContact OD2-CG 3.49Å; D1158-K1161 IonicContact OD2-NZ 2.97Å; D1158-K1161 PolarHBondContact OD2-NZ 3.19Å; R1159-K1161 VanDerWaalsContact C-N 3.3Å; R1159-K1161 PolarHBondContact O-N 2.85Å; K1161-D1164 PolarHBondContact O-N 2.92Å; K1161-K1165 WeakPolarHBondContact O-CB 3.43Å; K1161-K1165 WeakPolarHBondContact O-CG 3.46Å; K1161-K1165 PolarHBondContact O-N 3.37Å
1162M86.8Confident89.1Confident4 Ų446.2 Ų46.22%0.0222%0.223CC..Hα-helixtrans-56.2-49.9173-71-71.9-80.400110.7M1110 V1157 D1158 R1159 K1165 K1166 M1167 T1168 M1169 V1172 L1196M1110-M1162 HydrophobicContact CE-SD 3.37Å; M1110-M1162 WeakPolarHBondContact CE-SD 3.36Å; M1110-M1162 HydrophobicContact SD-SD 3.84Å; V1157-M1162 HydrophobicContact CG1-CG 3.62Å; V1157-M1162 HydrophobicContact CG1-SD 3.79Å; D1158-M1162 PolarHBondContact O-N 3.46Å; R1159-M1162 PolarHBondContact O-N 2.82Å; M1162-K1165 CarbonylContact O-C 3.59Å; M1162-K1165 PolarHBondContact O-N 3.09Å; M1162-K1166 PolarHBondContact O-N 2.97Å; M1162-M1167 HydrophobicContact CE-CB 4.19Å; M1162-M1167 PolarHBondContact O-N 3.48Å; M1162-M1167 HydrophobicContact SD-CB 3.94Å; M1162-T1168 VanDerWaalsContact CE-C 3.4Å; M1162-M1169 HydrophobicContact CE-CG 4.29Å; M1162-M1169 HydrophobicContact CE-SD 3.93Å; M1162-V1172 HydrophobicContact CE-CG2 4.19Å; M1162-V1172 HydrophobicContact SD-CG2 4.37Å; M1162-L1196 HydrophobicContact CG-CD1 4.25Å
1163T86.2Confident89.2Confident101 Ų10146.6 Ų46.662%0.6223%0.227SC*.Hα-helixtrans-64.5-46.4176.8-52.20000112.4R1159 K1165 K1166R1159-T1163 PolarHBondContact O-N 2.91Å; R1159-T1163 PolarHBondContact O-OG1 3.05Å; R1159-T1163 VanDerWaalsContact O-OG1 3.08Å; T1163-K1165 PolarHBondContact O-N 2.94Å; T1163-K1166 PolarHBondContact O-N 3.45Å; T1163-K1166 VanDerWaalsContact O-N 3.15Å
1164D82Confident89.1Confident74 Ų7451.5 Ų51.540%0.39625%0.25SC..Hα-helixtrans-63.2-24.8-179.3-108.3-36.2000113.6K1096 K1160 K1161K1096-D1164 VanDerWaalsContact CE-O 3.32Å; K1096-D1164 WeakPolarHBondContact CE-O 3.31Å; K1096-D1164 IonicContact NZ-OD1 3.27Å; K1096-D1164 PolarHBondContact NZ-OD1 3.14Å; K1160-D1164 WeakPolarHBondContact O-CB 3.48Å; K1160-D1164 PolarHBondContact O-N 3.1Å; K1161-D1164 PolarHBondContact O-N 2.92Å
1165K85Confident88.9Confident34 Ų3453.5 Ų53.515%0.14826%0.259CS..THydrogen-bonded Turntrans-104.65179-61.5-65-179.5174.70114.1E1103 M1105 K1161 M1162 T1163 M1167E1103-K1165 IonicContact OE1-NZ 3.45Å; E1103-K1165 PolarHBondContact OE1-NZ 3.47Å; E1103-K1165 IonicContact OE2-NZ 2.73Å; E1103-K1165 PolarHBondContact OE2-NZ 3.03Å; M1105-K1165 HydrophobicContact CE-CD 3.82Å; M1105-K1165 HydrophobicContact CE-CG 3.82Å; K1161-K1165 WeakPolarHBondContact O-CB 3.43Å; K1161-K1165 WeakPolarHBondContact O-CG 3.46Å; K1161-K1165 PolarHBondContact O-N 3.37Å; M1162-K1165 CarbonylContact O-C 3.59Å; M1162-K1165 PolarHBondContact O-N 3.09Å; T1163-K1165 PolarHBondContact O-N 2.94Å; K1165-M1167 VanDerWaalsContact C-N 3.3Å; K1165-M1167 HydrophobicContact CB-CG 4.43Å; K1165-M1167 PolarHBondContact O-N 3.46Å
1166K86.9Confident88.8Confident101 Ų10153.5 Ų53.544%0.43926%0.259SS..THydrogen-bonded Turntrans52.245.4178.8-56.8-175-178.8-179.70112.3E1093 D1097 M1162 T1163E1093-K1166 IonicContact OE2-NZ 2.75Å; E1093-K1166 PolarHBondContact OE2-NZ 3.08Å; D1097-K1166 WeakPolarHBondContact OD1-CD 3.24Å; D1097-K1166 WeakPolarHBondContact OD1-CE 3.47Å; D1097-K1166 IonicContact OD1-NZ 3.51Å; D1097-K1166 PolarHBondContact OD1-NZ 3.32Å; M1162-K1166 PolarHBondContact O-N 2.97Å; T1163-K1166 PolarHBondContact O-N 3.45Å; T1163-K1166 VanDerWaalsContact O-N 3.15Å
1167M87.3Confident88.5Confident11 Ų1155.8 Ų55.85%0.05427%0.27CS..  trans-107146.2175.2-68.1-155.871.800111.8M1105 M1110 M1162 K1165 V1172 L1240 Q1241M1105-M1167 HydrophobicContact CG-SD 4.47Å; M1110-M1167 HydrophobicContact CE-SD 3.87Å; M1110-M1167 HydrophobicContact SD-SD 3.84Å; M1162-M1167 HydrophobicContact CE-CB 4.19Å; M1162-M1167 PolarHBondContact O-N 3.48Å; M1162-M1167 HydrophobicContact SD-CB 3.94Å; K1165-M1167 VanDerWaalsContact C-N 3.3Å; K1165-M1167 HydrophobicContact CB-CG 4.43Å; K1165-M1167 PolarHBondContact O-N 3.46Å; M1167-V1172 HydrophobicContact CE-CG2 3.6Å; M1167-V1172 HydrophobicContact SD-CG2 4.48Å; M1167-L1240 HydrophobicContact CE-CB 4.06Å; M1167-L1240 HydrophobicContact CE-CD1 4.49Å; M1167-L1240 HydrophobicContact SD-CB 4.21Å; M1167-L1240 HydrophobicContact SD-CD1 4.43Å; M1167-Q1241 HydrophobicContact CE-CG 4.24Å; M1167-Q1241 HydrophobicContact SD-CG 4.21Å
1168T91.2Very high88.3Confident52 Ų5260.8 Ų60.832%0.31929%0.293SS..  trans-110.7158173.558.80000110.7M1162 E1170 S1171 V1172 D1191M1162-T1168 VanDerWaalsContact CE-C 3.4Å; T1168-E1170 VanDerWaalsContact C-N 3.3Å; T1168-E1170 PolarHBondContact O-N 3.43Å; T1168-S1171 PolarHBondContact O-N 3.35Å; T1168-S1171 WeakPolarHBondContact OG1-CB 3.48Å; T1168-S1171 PolarHBondContact OG1-N 2.89Å; T1168-V1172 PolarHBondContact O-N 3.5Å; T1168-D1191 VanDerWaalsContact CB-OD2 3.26Å; T1168-D1191 WeakPolarHBondContact CB-OD2 3.47Å; T1168-D1191 WeakPolarHBondContact CG2-OD2 3.28Å
1169M91.4Very high88Confident1 Ų162.1 Ų62.11%0.00531%0.308CS..Hα-helixtrans-59.4-40.6175.5-68.2-66.7-77.600111.9M1162 S1171 V1172 A1173 Y1188 D1191 L1196 I1197 F1198M1162-M1169 HydrophobicContact CE-CG 4.29Å; M1162-M1169 HydrophobicContact CE-SD 3.93Å; M1169-S1171 PolarHBondContact O-N 2.85Å; M1169-V1172 PolarHBondContact O-N 3.35Å; M1169-A1173 PolarHBondContact O-N 3.26Å; M1169-Y1188 HydrophobicContact CB-CD2 3.85Å; M1169-Y1188 HydrophobicContact CB-CE2 4.4Å; M1169-D1191 VanDerWaalsContact CG-OD1 3.28Å; M1169-D1191 WeakPolarHBondContact CG-OD1 3.35Å; M1169-D1191 PolarHBondContact N-OD1 2.9Å; M1169-L1196 HydrophobicContact CE-CB 4.15Å; M1169-L1196 HydrophobicContact CG-CD2 4.2Å; M1169-L1196 HydrophobicContact SD-CB 3.84Å; M1169-L1196 HydrophobicContact SD-CD1 4.44Å; M1169-L1196 HydrophobicContact SD-CG 4.5Å; M1169-I1197 VanDerWaalsContact CE-O 3.26Å; M1169-I1197 WeakPolarHBondContact CE-O 3.42Å; M1169-F1198 HydrophobicContact CB-CZ 4.21Å; M1169-F1198 HydrophobicContact CE-CD1 4.44Å; M1169-F1198 HydrophobicContact CE-CD2 3.63Å; M1169-F1198 HydrophobicContact CE-CE1 4.1Å; M1169-F1198 HydrophobicContact CE-CE2 3.23Å; M1169-F1198 HydrophobicContact CE-CG 4.2Å; M1169-F1198 HydrophobicContact CE-CZ 3.45Å; M1169-F1198 VanDerWaalsContact CE-CZ 3.45Å; M1169-F1198 WeakPolarHBondContact O-CZ 3.36Å; M1169-F1198 HydrophobicContact SD-CD2 4.39Å; M1169-F1198 HydrophobicContact SD-CE2 3.47Å; M1169-F1198 WeakPolarHBondContact SD-CE2 3.25Å; M1169-F1198 HydrophobicContact SD-CZ 3.67Å
1170E91.4Very high87.7Confident132 Ų13259.5 Ų59.562%0.61730%0.299SS*.Hα-helixtrans-54.7-47.8173.3-178.4-173.3-154.600112.2T1168 V1172 A1173 E1174T1168-E1170 VanDerWaalsContact C-N 3.3Å; T1168-E1170 PolarHBondContact O-N 3.43Å; E1170-V1172 VanDerWaalsContact C-N 3.27Å; E1170-V1172 PolarHBondContact O-N 3Å; E1170-A1173 WeakPolarHBondContact O-CB 3.27Å; E1170-A1173 PolarHBondContact O-N 3.25Å; E1170-A1173 VanDerWaalsContact O-N 3.17Å; E1170-E1174 PolarHBondContact O-N 3.21Å
1171S90.3Very high87.5Confident31 Ų3153.8 Ų53.822%0.21728%0.283CS..Hα-helixtrans-66.8-27.9-179.4-176.60000112.9T1168 M1169 K1175T1168-S1171 PolarHBondContact O-N 3.35Å; T1168-S1171 WeakPolarHBondContact OG1-CB 3.48Å; T1168-S1171 PolarHBondContact OG1-N 2.89Å; M1169-S1171 PolarHBondContact O-N 2.85Å; S1171-K1175 VanDerWaalsContact O-CG 3.28Å; S1171-K1175 WeakPolarHBondContact O-CG 3.28Å; S1171-K1175 PolarHBondContact O-N 2.8Å
1172V90.5Very high87.2Confident0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-77.7-39.7172.5175.30000110.9L1107 M1110 M1162 M1167 T1168 M1169 E1170 K1175 I1176 F1198 L1240L1107-V1172 HydrophobicContact CD1-CG1 3.96Å; M1110-V1172 HydrophobicContact CE-CG2 3.8Å; M1162-V1172 HydrophobicContact CE-CG2 4.19Å; M1162-V1172 HydrophobicContact SD-CG2 4.37Å; M1167-V1172 HydrophobicContact CE-CG2 3.6Å; M1167-V1172 HydrophobicContact SD-CG2 4.48Å; T1168-V1172 PolarHBondContact O-N 3.5Å; M1169-V1172 PolarHBondContact O-N 3.35Å; E1170-V1172 VanDerWaalsContact C-N 3.27Å; E1170-V1172 PolarHBondContact O-N 3Å; V1172-K1175 PolarHBondContact O-N 3.3Å; V1172-I1176 HydrophobicContact CG1-CD1 4.12Å; V1172-I1176 WeakPolarHBondContact O-CG1 3.26Å; V1172-I1176 PolarHBondContact O-N 2.87Å; V1172-F1198 HydrophobicContact CB-CE1 4.44Å; V1172-F1198 HydrophobicContact CB-CE2 4.13Å; V1172-F1198 HydrophobicContact CB-CZ 3.62Å; V1172-F1198 HydrophobicContact CG1-CE1 4.24Å; V1172-F1198 HydrophobicContact CG1-CE2 3.67Å; V1172-F1198 HydrophobicContact CG1-CZ 3.52Å; V1172-L1240 HydrophobicContact CG1-CD2 4.24Å; V1172-L1240 HydrophobicContact CG2-CD1 4.37Å; V1172-L1240 HydrophobicContact CG2-CD2 4.44Å
1173A90.7Very high87Confident10 Ų1061.3 Ų61.38%0.08333%0.327CS..Hα-helixtrans-58.8-47.8173.900000111.6M1169 E1170 K1175 I1176 H1177 Y1188 F1198M1169-A1173 PolarHBondContact O-N 3.26Å; E1170-A1173 WeakPolarHBondContact O-CB 3.27Å; E1170-A1173 PolarHBondContact O-N 3.25Å; E1170-A1173 VanDerWaalsContact O-N 3.17Å; A1173-K1175 VanDerWaalsContact C-N 3.25Å; A1173-K1175 PolarHBondContact O-N 3.44Å; A1173-I1176 PolarHBondContact O-N 2.95Å; A1173-I1176 VanDerWaalsContact O-N 3.1Å; A1173-H1177 PolarHBondContact O-N 2.81Å; A1173-Y1188 HydrophobicContact CB-CD1 3.6Å; A1173-Y1188 HydrophobicContact CB-CE1 3.4Å; A1173-Y1188 VanDerWaalsContact CB-CE1 3.4Å; A1173-Y1188 HydrophobicContact CB-CG 4.42Å; A1173-F1198 HydrophobicContact CB-CE1 4.03Å
1174E90.1Very high87Confident102 Ų10257 Ų5748%0.47730%0.3SS..Hα-helixtrans-57.1-39.5176.4-162.5-152.8178.600111.2E1170 Q1178E1170-E1174 PolarHBondContact O-N 3.21Å; E1174-Q1178 VanDerWaalsContact O-CB 3.27Å; E1174-Q1178 WeakPolarHBondContact O-CB 3.26Å; E1174-Q1178 WeakPolarHBondContact O-CG 3.43Å; E1174-Q1178 PolarHBondContact O-N 3.16Å; E1174-Q1178 PolarHBondContact OE1-NE2 2.82Å
1175K89.2Confident87.2Confident65 Ų6554.4 Ų54.428%0.28329%0.286SS..Hα-helixtrans-69.3-34.6176.9-72.4-72157.8-148.90113.6S1171 V1172 A1173 A1179 M1238 L1240S1171-K1175 VanDerWaalsContact O-CG 3.28Å; S1171-K1175 WeakPolarHBondContact O-CG 3.28Å; S1171-K1175 PolarHBondContact O-N 2.8Å; V1172-K1175 PolarHBondContact O-N 3.3Å; A1173-K1175 VanDerWaalsContact C-N 3.25Å; A1173-K1175 PolarHBondContact O-N 3.44Å; K1175-A1179 WeakPolarHBondContact O-CB 3.35Å; K1175-A1179 PolarHBondContact O-N 2.79Å; K1175-M1238 HydrophobicContact CB-SD 4.39Å; K1175-L1240 HydrophobicContact CB-CD2 3.65Å; K1175-L1240 HydrophobicContact CG-CD2 4.04Å
1176I89.2Confident87.4Confident0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-68.4-47.9174.8-63.6163.2000109.8V1172 A1173 Q1178 A1179 F1180 V1186 F1198 I1200 L1234 M1238V1172-I1176 HydrophobicContact CG1-CD1 4.12Å; V1172-I1176 WeakPolarHBondContact O-CG1 3.26Å; V1172-I1176 PolarHBondContact O-N 2.87Å; A1173-I1176 PolarHBondContact O-N 2.95Å; A1173-I1176 VanDerWaalsContact O-N 3.1Å; I1176-Q1178 PolarHBondContact O-N 2.76Å; I1176-A1179 PolarHBondContact O-N 3.14Å; I1176-F1180 PolarHBondContact O-N 3.38Å; I1176-V1186 HydrophobicContact CB-CG2 4.39Å; I1176-V1186 HydrophobicContact CD1-CG1 4.42Å; I1176-V1186 HydrophobicContact CG2-CG2 3.62Å; I1176-F1198 HydrophobicContact CD1-CD1 4.22Å; I1176-F1198 HydrophobicContact CD1-CE1 4.42Å; I1176-I1200 HydrophobicContact CD1-CD1 4.27Å; I1176-I1200 HydrophobicContact CG2-CD1 4.48Å; I1176-L1234 HydrophobicContact CB-CD2 4.49Å; I1176-L1234 HydrophobicContact CG1-CD2 4.09Å; I1176-L1234 HydrophobicContact CG2-CD2 3.89Å; I1176-M1238 HydrophobicContact CB-SD 4.45Å; I1176-M1238 HydrophobicContact CG1-CE 3.73Å; I1176-M1238 HydrophobicContact CG1-SD 3.8Å
1177H88.4Confident87.5Confident98 Ų9849.2 Ų49.245%0.45427%0.265SS..Hα-helixtrans-65-37.1178.3-176.159.1000112.2A1173 A1179 G1181 D1182A1173-H1177 PolarHBondContact O-N 2.81Å; H1177-A1179 PolarHBondContact O-N 3.16Å; H1177-G1181 PolarHBondContact ND1-O 3.13Å; H1177-G1181 VanDerWaalsContact O-CA 3.3Å; H1177-G1181 WeakPolarHBondContact O-CA 3.34Å; H1177-G1181 PolarHBondContact O-N 3.24Å; H1177-D1182 IonicContact CE1-OD1 3.71Å; H1177-D1182 PolarHBondContact CE1-OD1 2.95Å
1178Q87.1Confident87.7Confident109 Ų10952.5 Ų52.551%0.50928%0.278SS..Hα-helixtrans-63.6-20.6170.6-77.7172.811.800114.2E1174 I1176E1174-Q1178 VanDerWaalsContact O-CB 3.27Å; E1174-Q1178 WeakPolarHBondContact O-CB 3.26Å; E1174-Q1178 WeakPolarHBondContact O-CG 3.43Å; E1174-Q1178 PolarHBondContact O-N 3.16Å; E1174-Q1178 PolarHBondContact OE1-NE2 2.82Å; I1176-Q1178 PolarHBondContact O-N 2.76Å
1179A83.6Confident87.7Confident59 Ų5950.1 Ų50.149%0.48826%0.263SS..Hα-helixtrans-97.7-25.8-178.600000113.9K1175 I1176 H1177K1175-A1179 WeakPolarHBondContact O-CB 3.35Å; K1175-A1179 PolarHBondContact O-N 2.79Å; I1176-A1179 PolarHBondContact O-N 3.14Å; H1177-A1179 PolarHBondContact O-N 3.16Å
1180F84.2Confident87.6Confident40 Ų4055.7 Ų55.718%0.17529%0.293CS..Hα-helixtrans-128.8-3.3-174.6-67.9-92.7000114.9I1176 D1183 L1184 I1230 N1233 L1234I1176-F1180 PolarHBondContact O-N 3.38Å; F1180-D1183 WeakPolarHBondContact O-CB 3.41Å; F1180-D1183 PolarHBondContact O-N 3.07Å; F1180-L1184 HydrophobicContact CB-CB 4.46Å; F1180-L1184 HydrophobicContact CB-CD1 3.57Å; F1180-L1184 HydrophobicContact CB-CG 3.91Å; F1180-L1184 HydrophobicContact CD1-CD1 3.75Å; F1180-L1184 HydrophobicContact CD1-CG 4.42Å; F1180-L1184 HydrophobicContact CD2-CD1 4.01Å; F1180-L1184 HydrophobicContact CE1-CD1 4.44Å; F1180-L1184 HydrophobicContact CG-CD1 3.5Å; F1180-L1184 VanDerWaalsContact CG-CD1 3.5Å; F1180-L1184 HydrophobicContact CG-CG 4.28Å; F1180-I1230 HydrophobicContact CE1-CG1 4.4Å; F1180-I1230 HydrophobicContact CE1-CG2 4.38Å; F1180-N1233 HydrophobicContact CZ-CB 4.48Å; F1180-L1234 HydrophobicContact CD2-CD2 3.92Å; F1180-L1234 HydrophobicContact CE2-CD2 3.39Å; F1180-L1234 HydrophobicContact CE2-CG 3.85Å; F1180-L1234 HydrophobicContact CZ-CD2 4.17Å; F1180-L1234 HydrophobicContact CZ-CG 4.12Å
1181G81.2Confident87.5Confident31 Ų3152.4 Ų52.432%0.3228%0.28SS..G310 helixtrans61.6-141.1178.300000113.6H1177 D1183H1177-G1181 PolarHBondContact ND1-O 3.13Å; H1177-G1181 VanDerWaalsContact O-CA 3.3Å; H1177-G1181 WeakPolarHBondContact O-CA 3.34Å; H1177-G1181 PolarHBondContact O-N 3.24Å; G1181-D1183 VanDerWaalsContact C-N 3.31Å
1182D79.2Confident87.3Confident131 Ų13157.9 Ų57.970%0.70131%0.307SS*.G310 helixtrans-82.1-5.2179.6-61.4-39.6000113.4H1177 L1184 M1203H1177-D1182 IonicContact CE1-OD1 3.71Å; H1177-D1182 PolarHBondContact CE1-OD1 2.95Å; D1182-L1184 PolarHBondContact O-N 2.74Å; D1182-M1203 WeakPolarHBondContact O-CB 3.37Å
1183D82Confident87.1Confident105 Ų10559.5 Ų59.556%0.56132%0.32SS*.G310 helixtrans-66.4-20.2-178.3-62.2-20.5000112.5F1180 G1181 M1203F1180-D1183 WeakPolarHBondContact O-CB 3.41Å; F1180-D1183 PolarHBondContact O-N 3.07Å; G1181-D1183 VanDerWaalsContact C-N 3.31Å; D1183-M1203 PolarHBondContact O-N 3.29Å
1184L86.1Confident86.9Confident10 Ų1066.3 Ų66.35%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-123.4120.1179.5-61.3-177.4000111.4F1180 D1182 V1186 I1200 R1201 I1202 I1230F1180-L1184 HydrophobicContact CB-CB 4.46Å; F1180-L1184 HydrophobicContact CB-CD1 3.57Å; F1180-L1184 HydrophobicContact CB-CG 3.91Å; F1180-L1184 HydrophobicContact CD1-CD1 3.75Å; F1180-L1184 HydrophobicContact CD1-CG 4.42Å; F1180-L1184 HydrophobicContact CD2-CD1 4.01Å; F1180-L1184 HydrophobicContact CE1-CD1 4.44Å; F1180-L1184 HydrophobicContact CG-CD1 3.5Å; F1180-L1184 VanDerWaalsContact CG-CD1 3.5Å; F1180-L1184 HydrophobicContact CG-CG 4.28Å; D1182-L1184 PolarHBondContact O-N 2.74Å; L1184-V1186 HydrophobicContact CB-CG2 4.36Å; L1184-V1186 PolarHBondContact O-N 2.7Å; L1184-I1200 HydrophobicContact CB-CG2 4.09Å; L1184-I1200 HydrophobicContact CD1-CG2 3.99Å; L1184-I1200 HydrophobicContact CD2-CG2 4.16Å; L1184-I1200 HydrophobicContact CG-CG2 4.32Å; L1184-R1201 CarbonylContact C-O 3.56Å; L1184-R1201 WeakPolarHBondContact CA-O 3.47Å; L1184-I1202 HydrophobicContact CD2-CG1 4.29Å; L1184-I1230 HydrophobicContact CD1-CG2 3.93Å; L1184-I1230 HydrophobicContact CD2-CD1 4.05Å; L1184-I1230 HydrophobicContact CD2-CG2 4.49Å
1185L86.8Confident86.8Confident20 Ų2065.2 Ų65.211%0.10535%0.352CS..EExtended strand (participates in β ladder)trans-76.9114.5164.8176.264.5000108.8F1138 F1143 C1148 I1187 I1200 R1201 M1203F1138-L1185 HydrophobicContact CZ-CD2 4.36Å; F1143-L1185 HydrophobicContact CD1-CD1 4.45Å; F1143-L1185 HydrophobicContact CD2-CD1 4.47Å; F1143-L1185 HydrophobicContact CD2-CD2 4.43Å; F1143-L1185 HydrophobicContact CE1-CD1 3.88Å; F1143-L1185 HydrophobicContact CE2-CD1 3.9Å; F1143-L1185 HydrophobicContact CE2-CD2 3.5Å; F1143-L1185 HydrophobicContact CE2-CG 4.36Å; F1143-L1185 HydrophobicContact CZ-CD1 3.58Å; F1143-L1185 HydrophobicContact CZ-CD2 3.72Å; F1143-L1185 HydrophobicContact CZ-CG 4.32Å; C1148-L1185 VanDerWaalsContact SG-CD2 3.55Å; L1185-I1187 HydrophobicContact CD1-CG1 4.49Å; L1185-I1187 HydrophobicContact CD2-CD1 4.28Å; L1185-I1187 HydrophobicContact CD2-CG1 4.46Å; L1185-I1187 HydrophobicContact CG-CG1 4.15Å; L1185-I1200 WeakPolarHBondContact O-CA 3.43Å; L1185-R1201 PolarHBondContact N-O 3.38Å; L1185-R1201 PolarHBondContact O-N 2.9Å; L1185-M1203 HydrophobicContact CB-CG 3.99Å; L1185-M1203 HydrophobicContact CB-SD 4.09Å
1186V89Confident87Confident23 Ų2362.4 Ų62.414%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-109.9115.5178.1-175.60000109.8I1176 L1184 F1198 I1200I1176-V1186 HydrophobicContact CB-CG2 4.39Å; I1176-V1186 HydrophobicContact CD1-CG1 4.42Å; I1176-V1186 HydrophobicContact CG2-CG2 3.62Å; L1184-V1186 HydrophobicContact CB-CG2 4.36Å; L1184-V1186 PolarHBondContact O-N 2.7Å; V1186-F1198 HydrophobicContact CG1-CD1 3.89Å; V1186-I1200 HydrophobicContact CG1-CG1 4.36Å; V1186-I1200 HydrophobicContact CG2-CG1 4.3Å; V1186-I1200 HydrophobicContact CG2-CG2 4.46Å
1187I89.1Confident87.2Confident3 Ų362.6 Ų62.62%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-111.1146.3173-37.9179.3000107.9W1133 F1137 F1138 L1185 F1198 R1199W1133-I1187 HydrophobicContact CE3-CG2 4.35Å; W1133-I1187 HydrophobicContact CZ3-CB 4.34Å; W1133-I1187 HydrophobicContact CZ3-CG2 3.84Å; F1137-I1187 HydrophobicContact CB-CG2 3.94Å; F1137-I1187 HydrophobicContact CD1-CB 4.43Å; F1137-I1187 HydrophobicContact CD1-CD1 3.84Å; F1137-I1187 HydrophobicContact CD1-CG1 4.04Å; F1137-I1187 HydrophobicContact CD1-CG2 3.56Å; F1137-I1187 HydrophobicContact CD2-CG2 3.62Å; F1137-I1187 HydrophobicContact CE1-CB 4.35Å; F1137-I1187 HydrophobicContact CE1-CD1 3.91Å; F1137-I1187 HydrophobicContact CE1-CG1 3.74Å; F1137-I1187 HydrophobicContact CE1-CG2 3.87Å; F1137-I1187 HydrophobicContact CE2-CG2 3.92Å; F1137-I1187 HydrophobicContact CG-CG2 3.42Å; F1137-I1187 VanDerWaalsContact CG-CG2 3.42Å; F1137-I1187 HydrophobicContact CZ-CG1 4.2Å; F1137-I1187 HydrophobicContact CZ-CG2 4.04Å; F1138-I1187 HydrophobicContact CE2-CD1 3.58Å; F1138-I1187 HydrophobicContact CZ-CD1 3.75Å; L1185-I1187 HydrophobicContact CD1-CG1 4.49Å; L1185-I1187 HydrophobicContact CD2-CD1 4.28Å; L1185-I1187 HydrophobicContact CD2-CG1 4.46Å; L1185-I1187 HydrophobicContact CG-CG1 4.15Å; I1187-F1198 CarbonylContact O-C 3.5Å; I1187-F1198 WeakPolarHBondContact O-CA 3.31Å; I1187-R1199 HydrophobicContact CB-CB 4.12Å; I1187-R1199 PolarHBondContact N-O 2.73Å; I1187-R1199 PolarHBondContact O-N 3.29Å
1188Y91.4Very high87.3Confident80 Ų8057.9 Ų57.931%0.31432%0.32SS..EExtended strand (participates in β ladder)trans-148158.8-17957.2-87.7000113M1169 A1173 I1197 F1198M1169-Y1188 HydrophobicContact CB-CD2 3.85Å; M1169-Y1188 HydrophobicContact CB-CE2 4.4Å; A1173-Y1188 HydrophobicContact CB-CD1 3.6Å; A1173-Y1188 HydrophobicContact CB-CE1 3.4Å; A1173-Y1188 VanDerWaalsContact CB-CE1 3.4Å; A1173-Y1188 HydrophobicContact CB-CG 4.42Å; Y1188-I1197 VanDerWaalsContact CA-O 3.29Å; Y1188-I1197 WeakPolarHBondContact CA-O 3.25Å; Y1188-F1198 HydrophobicContact CD1-CE1 4.29Å; Y1188-F1198 HydrophobicContact CG-CD1 4.41Å; Y1188-F1198 HydrophobicContact CG-CE1 4.03Å
1189T91.8Very high87.6Confident3 Ų352.9 Ų52.92%0.01830%0.296CS..  trans-79.4147171.455.50000111.9W1133 A1193 L1196 I1197W1133-T1189 HydrophobicContact CD2-CG2 3.74Å; W1133-T1189 HydrophobicContact CE3-CG2 4.25Å; W1133-T1189 HydrophobicContact CG-CG2 4.16Å; W1133-T1189 HydrophobicContact CH2-CG2 4.12Å; W1133-T1189 HydrophobicContact CZ2-CG2 3.63Å; W1133-T1189 HydrophobicContact CZ3-CG2 4.42Å; T1189-A1193 HydrophobicContact CG2-CB 4.18Å; T1189-L1196 WeakPolarHBondContact OG1-CA 3.34Å; T1189-I1197 HydrophobicContact CG2-CB 3.95Å; T1189-I1197 HydrophobicContact CG2-CD1 4.38Å; T1189-I1197 PolarHBondContact N-O 3.35Å; T1189-I1197 PolarHBondContact OG1-N 2.99Å; T1189-I1197 PolarHBondContact OG1-O 3.15Å
1190D88.8Confident87.9Confident117 Ų11750 Ų5063%0.62627%0.273SS*.  trans-52.1150.4164.4-74.7-29.2000112.4N1192 A1193D1190-N1192 HydrophobicContact CB-CB 4.46Å; D1190-N1192 PolarHBondContact O-N 2.91Å; D1190-A1193 WeakPolarHBondContact O-CB 3.44Å; D1190-A1193 PolarHBondContact O-N 2.97Å
1191D88.3Confident88.1Confident64 Ų6448.3 Ų48.334%0.34227%0.265SS..THydrogen-bonded Turntrans-56.4-19.1172.1-70.6-38.9000113R1159 T1168 M1169R1159-D1191 PolarHBondContact NH1-O 3.5Å; T1168-D1191 VanDerWaalsContact CB-OD2 3.26Å; T1168-D1191 WeakPolarHBondContact CB-OD2 3.47Å; T1168-D1191 WeakPolarHBondContact CG2-OD2 3.28Å; M1169-D1191 VanDerWaalsContact CG-OD1 3.28Å; M1169-D1191 WeakPolarHBondContact CG-OD1 3.35Å; M1169-D1191 PolarHBondContact N-OD1 2.9Å
1192N87.2Confident88.3Confident145 Ų14547.5 Ų47.578%0.77525%0.253SS*.THydrogen-bonded Turntrans-83.5-19.9177.9-65.4-48.4000114.5D1190D1190-N1192 HydrophobicContact CB-CB 4.46Å; D1190-N1192 PolarHBondContact O-N 2.91Å
1193A86.2Confident88.4Confident34 Ų3443.1 Ų43.128%0.28123%0.229SC..SBendtrans-66.8143.3-179.100000110.9R1159 T1189 D1190 N1195R1159-A1193 PolarHBondContact NH2-O 3.03Å; T1189-A1193 HydrophobicContact CG2-CB 4.18Å; D1190-A1193 WeakPolarHBondContact O-CB 3.44Å; D1190-A1193 PolarHBondContact O-N 2.97Å; A1193-N1195 PolarHBondContact O-N 3.18Å
1194D86Confident87.9Confident153 Ų15341.6 Ų41.682%0.81822%0.221SC*.SBendtrans-53.6-48.9-173.3-76.4-41.5000113R1159R1159-D1194 PolarHBondContact NH2-O 3.21Å
1195N89.1Confident86.7Confident79 Ų7945.8 Ų45.842%0.42225%0.251SS..SBendtrans-102.9127.9173.7-65.8-20.5000109.5A1193 I1197A1193-N1195 PolarHBondContact O-N 3.18Å; N1195-I1197 HydrophobicContact CB-CD1 3.81Å; N1195-I1197 HydrophobicContact CB-CG1 4.17Å
1196L92.3Very high85.1Confident6 Ų647.6 Ų47.63%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-88112.2177.6-61.5-177.4000110V1157 R1159 M1162 M1169 T1189V1157-L1196 HydrophobicContact CB-CB 4.25Å; V1157-L1196 PolarHBondContact N-O 2.88Å; R1159-L1196 HydrophobicContact CB-CD1 4.03Å; R1159-L1196 HydrophobicContact CG-CD1 4.24Å; M1162-L1196 HydrophobicContact CG-CD1 4.25Å; M1169-L1196 HydrophobicContact CE-CB 4.15Å; M1169-L1196 HydrophobicContact CG-CD2 4.2Å; M1169-L1196 HydrophobicContact SD-CB 3.84Å; M1169-L1196 HydrophobicContact SD-CD1 4.44Å; M1169-L1196 HydrophobicContact SD-CG 4.5Å; T1189-L1196 WeakPolarHBondContact OG1-CA 3.34Å
1197I92.8Very high83.1Confident4 Ų454 Ų542%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-129.4136.6-168.3-62.6153.7000111.2W1133 R1154 I1155 M1169 Y1188 T1189 N1195W1133-I1197 HydrophobicContact CH2-CB 4.44Å; W1133-I1197 HydrophobicContact CH2-CG2 4.02Å; W1133-I1197 HydrophobicContact CZ2-CB 4.05Å; W1133-I1197 HydrophobicContact CZ2-CD1 4.39Å; W1133-I1197 HydrophobicContact CZ2-CG2 3.8Å; R1154-I1197 HydrophobicContact CG-CG2 3.62Å; I1155-I1197 CarbonylContact O-C 3.56Å; I1155-I1197 WeakPolarHBondContact O-CA 3.41Å; M1169-I1197 VanDerWaalsContact CE-O 3.26Å; M1169-I1197 WeakPolarHBondContact CE-O 3.42Å; Y1188-I1197 VanDerWaalsContact CA-O 3.29Å; Y1188-I1197 WeakPolarHBondContact CA-O 3.25Å; T1189-I1197 HydrophobicContact CG2-CB 3.95Å; T1189-I1197 HydrophobicContact CG2-CD1 4.38Å; T1189-I1197 PolarHBondContact N-O 3.35Å; T1189-I1197 PolarHBondContact OG1-N 2.99Å; T1189-I1197 PolarHBondContact OG1-O 3.15Å; N1195-I1197 HydrophobicContact CB-CD1 3.81Å; N1195-I1197 HydrophobicContact CB-CG1 4.17Å
1198F92.3Very high81.1Confident0 Ų059.1 Ų59.10%034%0.342CS..EExtended strand (participates in β ladder)trans-104.1142.5159.3-68-85.5000110.6R1154 I1155 V1157 M1169 V1172 A1173 I1176 V1186 I1187 Y1188R1154-F1198 CarbonylContact C-O 3.55Å; R1154-F1198 VanDerWaalsContact CA-O 3.3Å; R1154-F1198 WeakPolarHBondContact CA-O 3.33Å; I1155-F1198 HydrophobicContact CB-CB 4.26Å; I1155-F1198 PolarHBondContact N-O 2.91Å; I1155-F1198 PolarHBondContact O-N 2.82Å; V1157-F1198 HydrophobicContact CG2-CD2 3.89Å; V1157-F1198 HydrophobicContact CG2-CE2 3.93Å; M1169-F1198 HydrophobicContact CB-CZ 4.21Å; M1169-F1198 HydrophobicContact CE-CD1 4.44Å; M1169-F1198 HydrophobicContact CE-CD2 3.63Å; M1169-F1198 HydrophobicContact CE-CE1 4.1Å; M1169-F1198 HydrophobicContact CE-CE2 3.23Å; M1169-F1198 HydrophobicContact CE-CG 4.2Å; M1169-F1198 HydrophobicContact CE-CZ 3.45Å; M1169-F1198 VanDerWaalsContact CE-CZ 3.45Å; M1169-F1198 WeakPolarHBondContact O-CZ 3.36Å; M1169-F1198 HydrophobicContact SD-CD2 4.39Å; M1169-F1198 HydrophobicContact SD-CE2 3.47Å; M1169-F1198 WeakPolarHBondContact SD-CE2 3.25Å; M1169-F1198 HydrophobicContact SD-CZ 3.67Å; V1172-F1198 HydrophobicContact CB-CE1 4.44Å; V1172-F1198 HydrophobicContact CB-CE2 4.13Å; V1172-F1198 HydrophobicContact CB-CZ 3.62Å; V1172-F1198 HydrophobicContact CG1-CE1 4.24Å; V1172-F1198 HydrophobicContact CG1-CE2 3.67Å; V1172-F1198 HydrophobicContact CG1-CZ 3.52Å; A1173-F1198 HydrophobicContact CB-CE1 4.03Å; I1176-F1198 HydrophobicContact CD1-CD1 4.22Å; I1176-F1198 HydrophobicContact CD1-CE1 4.42Å; V1186-F1198 HydrophobicContact CG1-CD1 3.89Å; I1187-F1198 CarbonylContact O-C 3.5Å; I1187-F1198 WeakPolarHBondContact O-CA 3.31Å; Y1188-F1198 HydrophobicContact CD1-CE1 4.29Å; Y1188-F1198 HydrophobicContact CG-CD1 4.41Å; Y1188-F1198 HydrophobicContact CG-CE1 4.03Å
1199R91.6Very high78.8Confident3 Ų363.3 Ų63.31%0.01137%0.365CS..EExtended strand (participates in β ladder)trans-118.9118.9170.1-89.2-175.2158.3-115-18.5108.2D1119 T1125 D1130 W1133 L1152 I1187D1119-R1199 IonicContact OD2-CZ 2.89Å; D1119-R1199 IonicContact OD2-NH1 3.66Å; D1119-R1199 PolarHBondContact OD2-NH1 2.69Å; D1119-R1199 IonicContact OD2-NH2 3.66Å; D1119-R1199 PolarHBondContact OD2-NH2 2.79Å; D1119-R1199 VanDerWaalsContact OD2-NH2 3.09Å; T1125-R1199 PolarHBondContact OG1-NH2 3.16Å; D1130-R1199 IonicContact OD2-CZ 3.08Å; D1130-R1199 VanDerWaalsContact OD2-CZ 3.29Å; D1130-R1199 IonicContact OD2-NE 3.39Å; D1130-R1199 PolarHBondContact OD2-NE 3.03Å; D1130-R1199 IonicContact OD2-NH2 2.96Å; D1130-R1199 PolarHBondContact OD2-NH2 2.95Å; W1133-R1199 HydrophobicContact CH2-CB 4.22Å; W1133-R1199 HydrophobicContact CH2-CG 3.71Å; W1133-R1199 HydrophobicContact CZ2-CG 4.44Å; W1133-R1199 HydrophobicContact CZ3-CG 4.49Å; L1152-R1199 HydrophobicContact CD1-CB 3.79Å; L1152-R1199 HydrophobicContact CD1-CG 3.92Å; L1152-R1199 HydrophobicContact CD2-CG 4.22Å; L1152-R1199 VanDerWaalsContact CD2-NH2 3.31Å; I1187-R1199 HydrophobicContact CB-CB 4.12Å; I1187-R1199 PolarHBondContact N-O 2.73Å; I1187-R1199 PolarHBondContact O-N 3.29Å
1200I90.6Very high76.5Confident0 Ų070.4 Ų70.40%040%0.403CS..EExtended strand (participates in β ladder)trans-122.6121.8-176.5-54.2179.5000109.5L1153 I1155 I1176 L1184 L1185 V1186 L1234L1153-I1200 HydrophobicContact CB-CB 4.29Å; L1153-I1200 PolarHBondContact N-O 3.37Å; L1153-I1200 PolarHBondContact O-N 3.24Å; I1155-I1200 HydrophobicContact CD1-CD1 3.94Å; I1176-I1200 HydrophobicContact CD1-CD1 4.27Å; I1176-I1200 HydrophobicContact CG2-CD1 4.48Å; L1184-I1200 HydrophobicContact CB-CG2 4.09Å; L1184-I1200 HydrophobicContact CD1-CG2 3.99Å; L1184-I1200 HydrophobicContact CD2-CG2 4.16Å; L1184-I1200 HydrophobicContact CG-CG2 4.32Å; L1185-I1200 WeakPolarHBondContact O-CA 3.43Å; V1186-I1200 HydrophobicContact CG1-CG1 4.36Å; V1186-I1200 HydrophobicContact CG2-CG1 4.3Å; V1186-I1200 HydrophobicContact CG2-CG2 4.46Å; I1200-L1234 HydrophobicContact CD1-CD1 3.76Å
1201R88.6Confident74.5Confident3 Ų374.7 Ų74.71%0.01142%0.416CS..EExtended strand (participates in β ladder)trans-119.1151.7173.2-64.6-177.5178.8-97.97.2110.4D1119 D1121 S1149 L1152 L1184 L1185D1119-R1201 VanDerWaalsContact O-CZ 3.25Å; D1119-R1201 PolarHBondContact O-NH1 3.33Å; D1119-R1201 PolarHBondContact O-NH2 2.95Å; D1119-R1201 IonicContact OD2-NH2 2.67Å; D1119-R1201 PolarHBondContact OD2-NH2 3.08Å; D1119-R1201 VanDerWaalsContact OD2-NH2 3.16Å; D1121-R1201 PolarHBondContact O-NH2 2.94Å; S1149-R1201 PolarHBondContact O-NH1 2.91Å; L1152-R1201 HydrophobicContact CB-CG 4.44Å; L1152-R1201 HydrophobicContact CD1-CG 3.72Å; L1184-R1201 CarbonylContact C-O 3.56Å; L1184-R1201 WeakPolarHBondContact CA-O 3.47Å; L1185-R1201 PolarHBondContact N-O 3.38Å; L1185-R1201 PolarHBondContact O-N 2.9Å
1202I85.6Confident72.3Confident14 Ų1480.2 Ų80.27%0.07245%0.445CS..EExtended strand (participates in β ladder)trans-76.2140.1170.8-58.8150.7000109.1S1149 L1184 F1226 L1227 I1230S1149-I1202 PolarHBondContact N-O 3.13Å; L1184-I1202 HydrophobicContact CD2-CG1 4.29Å; I1202-F1226 HydrophobicContact CD1-CD1 3.82Å; I1202-F1226 HydrophobicContact CG1-CD1 4.29Å; I1202-L1227 HydrophobicContact CD1-CB 4.38Å; I1202-L1227 HydrophobicContact CD1-CD1 3.82Å; I1202-L1227 HydrophobicContact CG1-CD1 3.86Å; I1202-I1230 HydrophobicContact CG1-CD1 4.28Å
1203M81.4Confident70.5Confident39 Ų3975.8 Ų75.819%0.19243%0.434CS..EExtended strand (participates in β ladder)trans-98.1106.8172.7-75.4-71.3-79.800110.2F1143 R1147 D1182 D1183 L1185 S1205F1143-M1203 HydrophobicContact CD2-CE 4.47Å; R1147-M1203 HydrophobicContact CB-CE 4.38Å; R1147-M1203 HydrophobicContact CB-SD 4.45Å; D1182-M1203 WeakPolarHBondContact O-CB 3.37Å; D1183-M1203 PolarHBondContact O-N 3.29Å; L1185-M1203 HydrophobicContact CB-CG 3.99Å; L1185-M1203 HydrophobicContact CB-SD 4.09Å; M1203-S1205 PolarHBondContact O-N 3.44Å; M1203-S1205 VanDerWaalsContact O-N 3.1Å
1204N70.8Confident68.8Low73 Ų7381 Ų8139%0.3946%0.462SS..  trans-74.9105.4-178.2-70.2-4.9000110.2R1147 G1206R1147-N1204 WeakPolarHBondContact O-CB 3.12Å; R1147-N1204 PolarHBondContact O-N 3.48Å; N1204-G1206 PolarHBondContact O-N 3.16Å
1205S60.3Low67.3Low99 Ų9978.7 Ų78.769%0.69245%0.45SS*.  trans-61.7119.8170.2-78.60000110M1203 I1207M1203-S1205 PolarHBondContact O-N 3.44Å; M1203-S1205 VanDerWaalsContact O-N 3.1Å; S1205-I1207 PolarHBondContact O-N 3.41Å
1206G53.5Low65.5Low57 Ų5781.6 Ų81.659%0.58846%0.461SS*.  trans-59.6126.7179.400000110.9N1204 S1208N1204-G1206 PolarHBondContact O-N 3.16Å; G1206-S1208 PolarHBondContact O-N 2.97Å
1207I48.1Very low63.7Low157 Ų15789.7 Ų89.781%0.80550%0.498SS*.  trans-50.7110.8-167.7-58.3166.9000111.3S1205 E1209S1205-I1207 PolarHBondContact O-N 3.41Å; I1207-E1209 HydrophobicContact CG2-CG 4.03Å
1208S45.8Very low61.9Low111 Ų11193 Ų9378%0.77652%0.519SS*.  trans-92.4102.7159.660.20000108.5G1206G1206-S1208 PolarHBondContact O-N 2.97Å
1209E43.7Very low60.2Low168 Ų16899.7 Ų99.779%0.78555%0.554SS**  trans-59.7164.4162.6-58.8-177.2141.200109.7I1207I1207-E1209 HydrophobicContact CG2-CG 4.03Å
1210D43.3Very low58.6Low153 Ų153106 Ų10682%0.81858%0.582SS**  trans73.777.3-175.9-60.6-21000118.2
1211K47.8Very low57.4Low207 Ų207109.5 Ų109.590%0.960%0.599SS**  trans-165.4119.5133.6-102.9145.1-165.61630112.9G1213K1211-G1213 PolarHBondContact O-N 3.16Å
1212D42.2Very low56.6Low179 Ų179116.1 Ų116.196%0.95763%0.63SS**  trans-65.2119175-56-84.1000112.2
1213G48.5Very low56Low52 Ų52118 Ų11854%0.53664%0.64SS.*  trans-177.675.9-179.600000118.5K1211 D1215K1211-G1213 PolarHBondContact O-N 3.16Å; G1213-D1215 VanDerWaalsContact C-N 3.27Å; G1213-D1215 PolarHBondContact O-N 3Å
1214V51Low55.8Low143 Ų143117.5 Ų117.587%0.86764%0.639SS**SBendtrans66.1-39.2152-174.40000119.4E1216V1214-E1216 VanDerWaalsContact C-N 3.26Å; V1214-E1216 PolarHBondContact O-N 3.38Å
1215D53.9Low56.4Low106 Ų106117 Ų11757%0.56764%0.638SS**  trans-85.125.5-158.2-68.7-39.3000116.4G1213 Q1217 V1218G1213-D1215 VanDerWaalsContact C-N 3.27Å; G1213-D1215 PolarHBondContact O-N 3Å; D1215-Q1217 PolarHBondContact O-N 3.32Å; D1215-V1218 PolarHBondContact O-N 3Å
1216E51.7Low57.4Low140 Ų140116 Ų11665%0.65462%0.621SS**THydrogen-bonded Turntrans-59.32.9-177.4-126-157.4-101.100115.8V1214 K1220V1214-E1216 VanDerWaalsContact C-N 3.26Å; V1214-E1216 PolarHBondContact O-N 3.38Å; E1216-K1220 PolarHBondContact O-NZ 3.11Å; E1216-K1220 IonicContact OE2-NZ 3.07Å; E1216-K1220 PolarHBondContact OE2-NZ 3.49Å
1217Q54.7Low58.9Low176 Ų176113.3 Ų113.382%0.82259%0.593SS**THydrogen-bonded Turntrans-103.3-20.5172.4-71.1-168-15.600114.1D1215D1215-Q1217 PolarHBondContact O-N 3.32Å
1218V55.4Low60.6Low74 Ų74112.1 Ų112.145%0.44858%0.579SS.*THydrogen-bonded Turntrans-80.6-45.5177.8-1750000109.7D1215 K1220 M1221D1215-V1218 PolarHBondContact O-N 3Å; V1218-K1220 PolarHBondContact O-N 3.41Å; V1218-M1221 WeakPolarHBondContact O-CB 3.47Å; V1218-M1221 PolarHBondContact O-N 3.02Å
1219D55.5Low62.5Low140 Ų140110.8 Ų110.875%0.74957%0.566SS**THydrogen-bonded Turntrans-63.3-0.5176.4-54.8-24.8000114.6
1220K58.5Low64.5Low135 Ų135103.2 Ų103.259%0.58753%0.53SS*.THydrogen-bonded Turntrans-117.28175.9-57.7-165-173.785.20113.3E1216 V1218E1216-K1220 PolarHBondContact O-NZ 3.11Å; E1216-K1220 IonicContact OE2-NZ 3.07Å; E1216-K1220 PolarHBondContact OE2-NZ 3.49Å; V1218-K1220 PolarHBondContact O-N 3.41Å
1221M65.3Low66.7Low73 Ų7397.7 Ų97.736%0.3650%0.5SS..SBendtrans-77.7134.5169-72-17654.100110.1V1218 V1225 F1226 V1229V1218-M1221 WeakPolarHBondContact O-CB 3.47Å; V1218-M1221 PolarHBondContact O-N 3.02Å; M1221-V1225 HydrophobicContact CE-CB 4.27Å; M1221-V1225 HydrophobicContact CE-CG1 3.87Å; M1221-F1226 HydrophobicContact CE-CB 4.19Å; M1221-F1226 HydrophobicContact CE-CD2 4.33Å; M1221-V1229 HydrophobicContact CE-CG2 4.27Å
1222E71.5Confident68.6Low143 Ų14390 Ų9067%0.66848%0.475SS*.  trans-68.6137.7171.2-62174.214500109.4D1224 V1225 F1226E1222-D1224 PolarHBondContact O-N 2.98Å; E1222-V1225 HydrophobicContact CB-CG2 4.25Å; E1222-V1225 WeakPolarHBondContact O-CB 3.32Å; E1222-V1225 PolarHBondContact O-N 3.09Å; E1222-F1226 PolarHBondContact O-N 3.14Å; E1222-F1226 VanDerWaalsContact O-N 3.14Å
1223D73.4Confident70.7Confident53 Ų5384.7 Ų84.728%0.28345%0.446SS..Hα-helixtrans-46.4-40.9-175.3-78.836.6000113.7S1149 W1151 V1225 F1226 L1227S1149-D1223 WeakPolarHBondContact CB-OD2 3.31Å; S1149-D1223 PolarHBondContact OG-OD2 2.63Å; W1151-D1223 HydrophobicContact CG-CB 4.11Å; D1223-V1225 VanDerWaalsContact C-N 3.35Å; D1223-V1225 PolarHBondContact O-N 3.34Å; D1223-F1226 PolarHBondContact O-N 2.65Å; D1223-L1227 VanDerWaalsContact O-CB 3.27Å; D1223-L1227 WeakPolarHBondContact O-CB 3.34Å; D1223-L1227 PolarHBondContact O-N 3.11Å
1224D77.8Confident72.6Confident29 Ų2982.2 Ų82.216%0.15542%0.421CS..Hα-helixtrans-69.9-31.5-17886-60.5000112.6W1151 E1222 R1228W1151-D1224 HydrophobicContact CD2-CB 4.03Å; W1151-D1224 HydrophobicContact CE3-CB 4.14Å; W1151-D1224 HydrophobicContact CH2-CB 4.15Å; W1151-D1224 HydrophobicContact CZ2-CB 4.05Å; W1151-D1224 HydrophobicContact CZ3-CB 4.19Å; E1222-D1224 PolarHBondContact O-N 2.98Å; D1224-R1228 WeakPolarHBondContact O-CB 3.44Å; D1224-R1228 WeakPolarHBondContact O-CG 3.38Å; D1224-R1228 PolarHBondContact O-N 2.85Å; D1224-R1228 IonicContact OD2-CZ 3.64Å; D1224-R1228 IonicContact OD2-NH1 3.24Å; D1224-R1228 PolarHBondContact OD2-NH1 2.86Å; D1224-R1228 IonicContact OD2-NH2 3.98Å
1225V81.6Confident74.4Confident61 Ų6175.9 Ų75.937%0.3738%0.382SS..Hα-helixtrans-71.1-41.9174.1-170.60000109.7M1221 E1222 D1223 R1228 V1229M1221-V1225 HydrophobicContact CE-CB 4.27Å; M1221-V1225 HydrophobicContact CE-CG1 3.87Å; E1222-V1225 HydrophobicContact CB-CG2 4.25Å; E1222-V1225 WeakPolarHBondContact O-CB 3.32Å; E1222-V1225 PolarHBondContact O-N 3.09Å; D1223-V1225 VanDerWaalsContact C-N 3.35Å; D1223-V1225 PolarHBondContact O-N 3.34Å; V1225-R1228 PolarHBondContact O-N 2.84Å; V1225-V1229 WeakPolarHBondContact O-CG2 3.41Å; V1225-V1229 PolarHBondContact O-N 3.01Å; V1225-V1229 VanDerWaalsContact O-N 3.11Å
1226F82.2Confident75.8Confident79 Ų7972.1 Ų72.135%0.34636%0.364SS..Hα-helixtrans-64.4-44.8174.8-172.7-120.3000111.4I1202 M1221 E1222 D1223 R1228 V1229 I1230I1202-F1226 HydrophobicContact CD1-CD1 3.82Å; I1202-F1226 HydrophobicContact CG1-CD1 4.29Å; M1221-F1226 HydrophobicContact CE-CB 4.19Å; M1221-F1226 HydrophobicContact CE-CD2 4.33Å; E1222-F1226 PolarHBondContact O-N 3.14Å; E1222-F1226 VanDerWaalsContact O-N 3.14Å; D1223-F1226 PolarHBondContact O-N 2.65Å; F1226-R1228 VanDerWaalsContact C-N 3.31Å; F1226-R1228 PolarHBondContact O-N 2.82Å; F1226-V1229 WeakPolarHBondContact O-CB 3.1Å; F1226-V1229 PolarHBondContact O-N 2.97Å; F1226-I1230 HydrophobicContact CD1-CD1 3.59Å; F1226-I1230 HydrophobicContact CE1-CD1 3.48Å; F1226-I1230 VanDerWaalsContact CE1-CD1 3.48Å; F1226-I1230 HydrophobicContact CE1-CG1 4.46Å; F1226-I1230 HydrophobicContact CG-CD1 4.19Å; F1226-I1230 HydrophobicContact CZ-CD1 3.97Å; F1226-I1230 WeakPolarHBondContact O-CG1 3.39Å; F1226-I1230 PolarHBondContact O-N 3.39Å
1227L84.3Confident77.2Confident0 Ų069.7 Ų69.70%036%0.355CS..Hα-helixtrans-61.5-35.3176.5-158.780.3000112.5I1116 W1151 L1153 I1202 D1223 I1230 E1231I1116-L1227 HydrophobicContact CB-CD2 4.45Å; I1116-L1227 HydrophobicContact CD1-CD2 4.15Å; I1116-L1227 HydrophobicContact CG1-CD2 3.99Å; I1116-L1227 HydrophobicContact CG2-CD2 3.73Å; W1151-L1227 HydrophobicContact CB-CD2 4.09Å; L1153-L1227 HydrophobicContact CB-CD1 4.37Å; L1153-L1227 HydrophobicContact CB-CD2 3.96Å; L1153-L1227 HydrophobicContact CB-CG 4.13Å; I1202-L1227 HydrophobicContact CD1-CB 4.38Å; I1202-L1227 HydrophobicContact CD1-CD1 3.82Å; I1202-L1227 HydrophobicContact CG1-CD1 3.86Å; D1223-L1227 VanDerWaalsContact O-CB 3.27Å; D1223-L1227 WeakPolarHBondContact O-CB 3.34Å; D1223-L1227 PolarHBondContact O-N 3.11Å; L1227-I1230 PolarHBondContact O-N 3.04Å; L1227-E1231 WeakPolarHBondContact O-CB 3.38Å; L1227-E1231 PolarHBondContact O-N 2.91Å
1228R85.6Confident78.6Confident133 Ų13362.1 Ų62.150%0.50232%0.32SS..Hα-helixtrans-68.7-33.6171.4-79.4-176.5-176.31189.1113.7I1116 D1224 V1225 F1226 A1232I1116-R1228 HydrophobicContact CD1-CB 4.48Å; I1116-R1228 HydrophobicContact CD1-CG 3.45Å; I1116-R1228 VanDerWaalsContact CD1-CG 3.45Å; D1224-R1228 WeakPolarHBondContact O-CB 3.44Å; D1224-R1228 WeakPolarHBondContact O-CG 3.38Å; D1224-R1228 PolarHBondContact O-N 2.85Å; D1224-R1228 IonicContact OD2-CZ 3.64Å; D1224-R1228 IonicContact OD2-NH1 3.24Å; D1224-R1228 PolarHBondContact OD2-NH1 2.86Å; D1224-R1228 IonicContact OD2-NH2 3.98Å; V1225-R1228 PolarHBondContact O-N 2.84Å; F1226-R1228 VanDerWaalsContact C-N 3.31Å; F1226-R1228 PolarHBondContact O-N 2.82Å; R1228-A1232 WeakPolarHBondContact O-CB 3.4Å; R1228-A1232 PolarHBondContact O-N 3.5Å
1229V85.5Confident80.2Confident83 Ų8360.6 Ų60.650%0.50331%0.311SS..Hα-helixtrans-67.8-41.91731720000110M1221 V1225 F1226 A1232 N1233M1221-V1229 HydrophobicContact CE-CG2 4.27Å; V1225-V1229 WeakPolarHBondContact O-CG2 3.41Å; V1225-V1229 PolarHBondContact O-N 3.01Å; V1225-V1229 VanDerWaalsContact O-N 3.11Å; F1226-V1229 WeakPolarHBondContact O-CB 3.1Å; F1226-V1229 PolarHBondContact O-N 2.97Å; V1229-A1232 PolarHBondContact O-N 3.25Å; V1229-N1233 WeakPolarHBondContact O-CB 3.43Å; V1229-N1233 PolarHBondContact O-N 2.85Å
1230I85.8Confident81.7Confident8 Ų854.3 Ų54.34%0.04128%0.278CS..Hα-helixtrans-60.4-48.8172.4-69.4157.2000111F1180 L1184 I1202 F1226 L1227 A1232 N1233 L1234F1180-I1230 HydrophobicContact CE1-CG1 4.4Å; F1180-I1230 HydrophobicContact CE1-CG2 4.38Å; L1184-I1230 HydrophobicContact CD1-CG2 3.93Å; L1184-I1230 HydrophobicContact CD2-CD1 4.05Å; L1184-I1230 HydrophobicContact CD2-CG2 4.49Å; I1202-I1230 HydrophobicContact CG1-CD1 4.28Å; F1226-I1230 HydrophobicContact CD1-CD1 3.59Å; F1226-I1230 HydrophobicContact CE1-CD1 3.48Å; F1226-I1230 VanDerWaalsContact CE1-CD1 3.48Å; F1226-I1230 HydrophobicContact CE1-CG1 4.46Å; F1226-I1230 HydrophobicContact CG-CD1 4.19Å; F1226-I1230 HydrophobicContact CZ-CD1 3.97Å; F1226-I1230 WeakPolarHBondContact O-CG1 3.39Å; F1226-I1230 PolarHBondContact O-N 3.39Å; L1227-I1230 PolarHBondContact O-N 3.04Å; I1230-A1232 PolarHBondContact O-N 3.43Å; I1230-N1233 PolarHBondContact O-N 2.98Å; I1230-L1234 HydrophobicContact CG2-CD1 3.55Å; I1230-L1234 HydrophobicContact CG2-CG 4.07Å; I1230-L1234 WeakPolarHBondContact O-CB 3.29Å; I1230-L1234 WeakPolarHBondContact O-CG 3.11Å; I1230-L1234 PolarHBondContact O-N 2.92Å
1231E89Confident83Confident38 Ų3850.7 Ų50.718%0.17826%0.263CS..Hα-helixtrans-53.6-50.2175.5-177.2-164.7-179.900111.6T1114 L1153 L1227 N1233 L1235T1114-E1231 WeakPolarHBondContact CB-OE1 3.38Å; T1114-E1231 HydrophobicContact CG2-CG 4.45Å; T1114-E1231 PolarHBondContact OG1-OE1 3.47Å; L1153-E1231 HydrophobicContact CD1-CB 4.27Å; L1153-E1231 HydrophobicContact CD1-CG 3.96Å; L1153-E1231 HydrophobicContact CD2-CB 3.86Å; L1153-E1231 HydrophobicContact CD2-CG 4.19Å; L1227-E1231 WeakPolarHBondContact O-CB 3.38Å; L1227-E1231 PolarHBondContact O-N 2.91Å; E1231-N1233 VanDerWaalsContact C-N 3.33Å; E1231-N1233 PolarHBondContact O-N 3.02Å; E1231-L1235 HydrophobicContact CG-CD1 3.99Å; E1231-L1235 VanDerWaalsContact O-CB 3.31Å; E1231-L1235 WeakPolarHBondContact O-CB 3.23Å; E1231-L1235 VanDerWaalsContact O-CG 3.27Å; E1231-L1235 WeakPolarHBondContact O-CG 3.4Å; E1231-L1235 PolarHBondContact O-N 3.04Å
1232A88.1Confident84.2Confident45 Ų4548.1 Ų48.137%0.37226%0.255SS..Hα-helixtrans-61.7-41-179.500000112.2R1228 V1229 I1230 S1236R1228-A1232 WeakPolarHBondContact O-CB 3.4Å; R1228-A1232 PolarHBondContact O-N 3.5Å; V1229-A1232 PolarHBondContact O-N 3.25Å; I1230-A1232 PolarHBondContact O-N 3.43Å; A1232-S1236 WeakPolarHBondContact O-CB 3.27Å; A1232-S1236 PolarHBondContact O-N 3.05Å; A1232-S1236 PolarHBondContact O-OG 3.34Å
1233N86.2Confident85.2Confident68 Ų6841.9 Ų41.936%0.36423%0.226SC..Hα-helixtrans-68.1-56.1178.8-167.5-0.8000111.1F1180 V1229 I1230 E1231 L1235 S1236 D1237F1180-N1233 HydrophobicContact CZ-CB 4.48Å; V1229-N1233 WeakPolarHBondContact O-CB 3.43Å; V1229-N1233 PolarHBondContact O-N 2.85Å; I1230-N1233 PolarHBondContact O-N 2.98Å; E1231-N1233 VanDerWaalsContact C-N 3.33Å; E1231-N1233 PolarHBondContact O-N 3.02Å; N1233-L1235 VanDerWaalsContact C-N 3.31Å; N1233-L1235 PolarHBondContact O-N 3.02Å; N1233-S1236 PolarHBondContact O-N 3.39Å; N1233-D1237 PolarHBondContact O-N 3.03Å
1234L87.3Confident85.9Confident0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-49.3-48.1175.2-79.8171.2000112.7L1107 L1153 I1176 F1180 I1200 I1230 S1236 M1238L1107-L1234 WeakPolarHBondContact CB-O 3.36Å; L1107-L1234 HydrophobicContact CD2-CB 4.31Å; L1153-L1234 HydrophobicContact CD2-CD1 4.15Å; I1176-L1234 HydrophobicContact CB-CD2 4.49Å; I1176-L1234 HydrophobicContact CG1-CD2 4.09Å; I1176-L1234 HydrophobicContact CG2-CD2 3.89Å; F1180-L1234 HydrophobicContact CD2-CD2 3.92Å; F1180-L1234 HydrophobicContact CE2-CD2 3.39Å; F1180-L1234 HydrophobicContact CE2-CG 3.85Å; F1180-L1234 HydrophobicContact CZ-CD2 4.17Å; F1180-L1234 HydrophobicContact CZ-CG 4.12Å; I1200-L1234 HydrophobicContact CD1-CD1 3.76Å; I1230-L1234 HydrophobicContact CG2-CD1 3.55Å; I1230-L1234 HydrophobicContact CG2-CG 4.07Å; I1230-L1234 WeakPolarHBondContact O-CB 3.29Å; I1230-L1234 WeakPolarHBondContact O-CG 3.11Å; I1230-L1234 PolarHBondContact O-N 2.92Å; L1234-S1236 VanDerWaalsContact C-N 3.32Å; L1234-S1236 PolarHBondContact O-N 3.06Å; L1234-M1238 HydrophobicContact CD2-CE 4.12Å; L1234-M1238 HydrophobicContact CD2-SD 4.09Å; L1234-M1238 WeakPolarHBondContact O-CB 3.42Å
1235L88.3Confident86.5Confident10 Ų1046.2 Ų46.25%0.05225%0.25CS..Hα-helixtrans-66.5-32.8-179.1-75.3177.6000112.7L1107 R1108 T1111 T1114 E1231 N1233L1107-L1235 HydrophobicContact CD2-CD2 4.39Å; L1107-L1235 HydrophobicContact CG-CD2 4.3Å; R1108-L1235 HydrophobicContact CB-CB 4.22Å; R1108-L1235 HydrophobicContact CB-CD2 4.46Å; R1108-L1235 WeakPolarHBondContact CB-O 3.42Å; R1108-L1235 PolarHBondContact N-O 2.98Å; R1108-L1235 VanDerWaalsContact N-O 3.09Å; T1111-L1235 HydrophobicContact CG2-CD2 4.21Å; T1114-L1235 HydrophobicContact CG2-CD1 3.97Å; T1114-L1235 HydrophobicContact CG2-CD2 4.03Å; T1114-L1235 HydrophobicContact CG2-CG 4.37Å; E1231-L1235 HydrophobicContact CG-CD1 3.99Å; E1231-L1235 VanDerWaalsContact O-CB 3.31Å; E1231-L1235 WeakPolarHBondContact O-CB 3.23Å; E1231-L1235 VanDerWaalsContact O-CG 3.27Å; E1231-L1235 WeakPolarHBondContact O-CG 3.4Å; E1231-L1235 PolarHBondContact O-N 3.04Å; N1233-L1235 VanDerWaalsContact C-N 3.31Å; N1233-L1235 PolarHBondContact O-N 3.02Å
1236S84.7Confident86.9Confident27 Ų2743.3 Ų43.319%0.18923%0.233CC..Hα-helixtrans-129.7-8.3-158.676.60000118A1232 N1233 L1234 K1832A1232-S1236 WeakPolarHBondContact O-CB 3.27Å; A1232-S1236 PolarHBondContact O-N 3.05Å; A1232-S1236 PolarHBondContact O-OG 3.34Å; N1233-S1236 PolarHBondContact O-N 3.39Å; L1234-S1236 VanDerWaalsContact C-N 3.32Å; L1234-S1236 PolarHBondContact O-N 3.06Å; S1236-K1832 VanDerWaalsContact CB-NZ 3.35Å; S1236-K1832 PolarHBondContact O-NZ 3.25Å; S1236-K1832 WeakPolarHBondContact OG-CE 3.47Å; S1236-K1832 PolarHBondContact OG-NZ 2.86Å
1237D81Confident87.1Confident89 Ų8942.2 Ų42.248%0.47624%0.235SC..THydrogen-bonded Turntrans-123.3-16172.5-63.3-66.8000112.6N1233 T1239 K1832N1233-D1237 PolarHBondContact O-N 3.03Å; D1237-T1239 PolarHBondContact O-N 3.11Å; D1237-K1832 IonicContact OD1-NZ 2.69Å; D1237-K1832 PolarHBondContact OD1-NZ 3.15Å; D1237-K1832 IonicContact OD2-NZ 2.95Å; D1237-K1832 PolarHBondContact OD2-NZ 2.82Å
1238M84.3Confident87Confident16 Ų1645.4 Ų45.48%0.07925%0.249CC..  trans-73.5106.7173.6-171.4177.659.200112T1106 L1107 K1175 I1176 L1234 L1240T1106-M1238 WeakPolarHBondContact CA-O 3.24Å; L1107-M1238 HydrophobicContact CB-CE 3.86Å; L1107-M1238 HydrophobicContact CD2-CE 3.84Å; L1107-M1238 HydrophobicContact CG-CE 4.3Å; K1175-M1238 HydrophobicContact CB-SD 4.39Å; I1176-M1238 HydrophobicContact CB-SD 4.45Å; I1176-M1238 HydrophobicContact CG1-CE 3.73Å; I1176-M1238 HydrophobicContact CG1-SD 3.8Å; L1234-M1238 HydrophobicContact CD2-CE 4.12Å; L1234-M1238 HydrophobicContact CD2-SD 4.09Å; L1234-M1238 WeakPolarHBondContact O-CB 3.42Å; M1238-L1240 HydrophobicContact CE-CD2 3.76Å; M1238-L1240 HydrophobicContact CE-CG 4.4Å; M1238-L1240 HydrophobicContact CG-CD2 4.48Å; M1238-L1240 HydrophobicContact SD-CD2 4.29Å
1239T87.8Confident87.1Confident43 Ų4339.4 Ų39.426%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-77.2114.6169.2-60.40000110.2H1104 D1237 E1244H1104-T1239 PolarHBondContact CE1-OG1 3.48Å; D1237-T1239 PolarHBondContact O-N 3.11Å; T1239-E1244 HydrophobicContact CG2-CG 4.48Å; T1239-E1244 PolarHBondContact OG1-OE1 2.82Å
1240L86.9Confident86.9Confident8 Ų839 Ų394%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-83.7-51.3178.8-70.7175.4000111.8M1105 L1107 M1110 M1167 V1172 K1175 M1238M1105-L1240 HydrophobicContact CB-CB 4.49Å; M1105-L1240 PolarHBondContact O-N 3.33Å; L1107-L1240 HydrophobicContact CB-CD1 4.29Å; L1107-L1240 HydrophobicContact CD1-CD1 4.29Å; M1110-L1240 HydrophobicContact CE-CD1 3.47Å; M1110-L1240 VanDerWaalsContact CE-CD1 3.47Å; M1110-L1240 HydrophobicContact SD-CD1 4.48Å; M1167-L1240 HydrophobicContact CE-CB 4.06Å; M1167-L1240 HydrophobicContact CE-CD1 4.49Å; M1167-L1240 HydrophobicContact SD-CB 4.21Å; M1167-L1240 HydrophobicContact SD-CD1 4.43Å; V1172-L1240 HydrophobicContact CG1-CD2 4.24Å; V1172-L1240 HydrophobicContact CG2-CD1 4.37Å; V1172-L1240 HydrophobicContact CG2-CD2 4.44Å; K1175-L1240 HydrophobicContact CB-CD2 3.65Å; K1175-L1240 HydrophobicContact CG-CD2 4.04Å; M1238-L1240 HydrophobicContact CE-CD2 3.76Å; M1238-L1240 HydrophobicContact CE-CG 4.4Å; M1238-L1240 HydrophobicContact CG-CD2 4.48Å; M1238-L1240 HydrophobicContact SD-CD2 4.29Å
1241Q86.9Confident86.9Confident58 Ų5841.2 Ų41.227%0.27123%0.228SC..EExtended strand (participates in β ladder)trans-148170.3174.8-64.6-168.57.700109.4M1105 M1167M1105-Q1241 HydrophobicContact CB-CB 4.47Å; M1105-Q1241 PolarHBondContact N-O 3.01Å; M1167-Q1241 HydrophobicContact CE-CG 4.24Å; M1167-Q1241 HydrophobicContact SD-CG 4.21Å
1242G89.7Confident86.4Confident20 Ų2042.2 Ų42.221%0.20623%0.232CC..SBendtrans81.1173.7175.900000115.4R1101 E1103R1101-G1242 VanDerWaalsContact O-CA 3.32Å; R1101-G1242 WeakPolarHBondContact O-CA 3.11Å; E1103-G1242 WeakPolarHBondContact O-CA 3.21Å
1243I92Very high86.2Confident12 Ų1243.8 Ų43.86%0.06223%0.234CC..BIsolated β-bridgetrans-103113.1-176.8-63164.1000109.6I1102 S1245 I1246 S1284 K1287 V1288I1102-I1243 PolarHBondContact O-N 3.49Å; I1243-S1245 PolarHBondContact O-N 2.85Å; I1243-I1246 HydrophobicContact CB-CD1 4.32Å; I1243-I1246 HydrophobicContact CD1-CD1 4.38Å; I1243-I1246 HydrophobicContact CG2-CD1 4.37Å; I1243-I1246 PolarHBondContact O-N 3.21Å; I1243-S1284 VanDerWaalsContact CG2-OG 3.31Å; I1243-S1284 WeakPolarHBondContact CG2-OG 3.49Å; I1243-K1287 HydrophobicContact CD1-CB 3.79Å; I1243-K1287 HydrophobicContact CG1-CB 4.28Å; I1243-K1287 HydrophobicContact CG1-CD 4.43Å; I1243-K1287 HydrophobicContact CG2-CB 4.24Å; I1243-K1287 HydrophobicContact CG2-CD 3.61Å; I1243-V1288 HydrophobicContact CD1-CG2 3.67Å
1244E89.9Confident85.8Confident113 Ų11340.6 Ų40.653%0.52822%0.217SC..THydrogen-bonded Turntrans-36.8-43.9-175.4-69.2156-17800116.6H1104 T1239 I1246H1104-E1244 PolarHBondContact CD2-O 3.22Å; T1239-E1244 HydrophobicContact CG2-CG 4.48Å; T1239-E1244 PolarHBondContact OG1-OE1 2.82Å; E1244-I1246 VanDerWaalsContact C-N 3.29Å; E1244-I1246 PolarHBondContact O-N 3.17Å
1245S89.3Confident85Confident59 Ų5946 Ų4641%0.41325%0.251SS..THydrogen-bonded Turntrans-82.31.6-177.462.80000114.8I1243 G1282 T1283 S1284I1243-S1245 PolarHBondContact O-N 2.85Å; S1245-G1282 VanDerWaalsContact O-CA 3.26Å; S1245-G1282 WeakPolarHBondContact O-CA 3.48Å; S1245-T1283 WeakPolarHBondContact CB-O 3.24Å; S1245-T1283 PolarHBondContact O-N 2.99Å; S1245-T1283 PolarHBondContact OG-O 3Å; S1245-S1284 VanDerWaalsContact OG-CB 3.22Å; S1245-S1284 WeakPolarHBondContact OG-CB 3.44Å; S1245-S1284 PolarHBondContact OG-OG 2.8Å
1246I90.2Very high84.2Confident0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-114.799.7176.8-61.8173.2000108.6L1080 I1102 H1104 I1243 E1244 V1249 T1280 V1288L1080-I1246 HydrophobicContact CD1-CD1 3.92Å; I1102-I1246 HydrophobicContact CG2-CD1 3.87Å; I1102-I1246 HydrophobicContact CG2-CG2 4.13Å; H1104-I1246 VanDerWaalsContact CB-O 3.3Å; H1104-I1246 WeakPolarHBondContact CB-O 3.31Å; H1104-I1246 PolarHBondContact N-O 3.08Å; H1104-I1246 VanDerWaalsContact N-O 3.08Å; I1243-I1246 HydrophobicContact CB-CD1 4.32Å; I1243-I1246 HydrophobicContact CD1-CD1 4.38Å; I1243-I1246 HydrophobicContact CG2-CD1 4.37Å; I1243-I1246 PolarHBondContact O-N 3.21Å; E1244-I1246 VanDerWaalsContact C-N 3.29Å; E1244-I1246 PolarHBondContact O-N 3.17Å; I1246-V1249 HydrophobicContact CG2-CG2 3.89Å; I1246-T1280 HydrophobicContact CG2-CG2 3.87Å; I1246-V1288 HydrophobicContact CD1-CG2 3.46Å; I1246-V1288 VanDerWaalsContact CD1-CG2 3.46Å
1247S86Confident83.5Confident56 Ų5652.2 Ų52.239%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-76.8-32-169.568.80000113.8K1109 D1281K1109-S1247 PolarHBondContact NZ-O 3Å; S1247-D1281 PolarHBondContact N-O 2.85Å; S1247-D1281 PolarHBondContact OG-O 2.86Å
1248K83Confident82.9Confident67 Ų6753.5 Ų53.529%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-154.2150.6-178-149.5169.6-164.5179.90111.1G671 D1281G671-K1248 VanDerWaalsContact C-NZ 3.34Å; G671-K1248 WeakPolarHBondContact O-CD 3.37Å; G671-K1248 WeakPolarHBondContact O-CE 3.3Å; G671-K1248 PolarHBondContact O-NZ 2.88Å; K1248-D1281 HydrophobicContact CB-CB 4.38Å; K1248-D1281 PolarHBondContact O-N 3.37Å
1249V87.2Confident82.5Confident8 Ų855 Ų555%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-126.2140.7177-172.60000109.7I1099 I1102 E1103 I1246 L1278 E1279 T1280I1099-V1249 HydrophobicContact CG1-CG1 4Å; I1099-V1249 HydrophobicContact CG2-CB 4.13Å; I1099-V1249 HydrophobicContact CG2-CG1 4.47Å; I1102-V1249 HydrophobicContact CB-CG2 4.45Å; I1102-V1249 HydrophobicContact CG2-CG2 3.98Å; E1103-V1249 HydrophobicContact CB-CB 4.49Å; E1103-V1249 HydrophobicContact CB-CG2 3.75Å; E1103-V1249 HydrophobicContact CG-CG2 4.21Å; I1246-V1249 HydrophobicContact CG2-CG2 3.89Å; V1249-L1278 HydrophobicContact CG1-CB 3.83Å; V1249-L1278 HydrophobicContact CG1-CD1 4.25Å; V1249-L1278 HydrophobicContact CG1-CG 4.45Å; V1249-E1279 CarbonylContact C-O 3.51Å; V1249-E1279 WeakPolarHBondContact CA-O 3.26Å; V1249-T1280 HydrophobicContact CG1-CG2 4.27Å; V1249-T1280 HydrophobicContact CG2-CG2 4.18Å
1250Y81.8Confident82.3Confident75 Ų7556.6 Ų56.629%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-117.8130-178-59.1-103.2000109G671 L1278 E1279 D1281G671-Y1250 VanDerWaalsContact CA-CE1 3.41Å; Y1250-L1278 CarbonylContact O-C 3.11Å; Y1250-L1278 VanDerWaalsContact O-CA 3.27Å; Y1250-L1278 WeakPolarHBondContact O-CA 3.34Å; Y1250-E1279 PolarHBondContact N-O 3.45Å; Y1250-E1279 PolarHBondContact O-N 3.17Å; Y1250-D1281 HydrophobicContact CE2-CB 4.22Å
1251M84.6Confident82.1Confident54 Ų5460.9 Ų60.927%0.26631%0.314SS..EExtended strand (participates in β ladder)trans-110.1130.4176.8179.1175.775.200110.6A1092 A1095 I1099 W1276 L1278A1092-M1251 HydrophobicContact CB-CE 4.28Å; A1095-M1251 HydrophobicContact CB-SD 3.39Å; A1095-M1251 WeakPolarHBondContact CB-SD 3.38Å; I1099-M1251 HydrophobicContact CD1-CB 3.66Å; I1099-M1251 HydrophobicContact CD1-CG 4.33Å; I1099-M1251 HydrophobicContact CD1-SD 4Å; M1251-W1276 HydrophobicContact CE-CE3 4.33Å; M1251-W1276 HydrophobicContact CE-CZ3 4.16Å; M1251-W1276 HydrophobicContact CG-CD2 4.33Å; M1251-W1276 HydrophobicContact CG-CE3 3.51Å; M1251-W1276 HydrophobicContact CG-CZ3 3.96Å; M1251-W1276 HydrophobicContact SD-CD2 4.33Å; M1251-W1276 HydrophobicContact SD-CE3 3.99Å; M1251-W1276 HydrophobicContact SD-CZ3 4.41Å; M1251-L1278 HydrophobicContact CB-CD2 3.76Å; M1251-L1278 HydrophobicContact CG-CD2 3.85Å; M1251-L1278 HydrophobicContact SD-CD2 4.43Å
1252H79.2Confident82Confident59 Ų5959.4 Ų59.427%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-152.4166.8174.573.1-74.1000112.9I1277 E1279H1252-I1277 PolarHBondContact N-O 2.84Å; H1252-I1277 PolarHBondContact O-N 3.44Å; H1252-I1277 VanDerWaalsContact O-N 3.16Å; H1252-E1279 VanDerWaalsContact CE1-CD 3.49Å; H1252-E1279 IonicContact CE1-OE1 2.69Å; H1252-E1279 IonicContact CE1-OE2 2.68Å
1253L84.8Confident81.9Confident77 Ų7761.1 Ų61.140%0.40332%0.315SS..  trans-94.9129.4167.7-70.1172.6000109.4T1255 W1276L1253-T1255 PolarHBondContact O-N 3.37Å; L1253-W1276 HydrophobicContact CD1-CH2 4.15Å; L1253-W1276 HydrophobicContact CD1-CZ2 4.13Å; L1253-W1276 HydrophobicContact CD2-CD2 3.68Å; L1253-W1276 HydrophobicContact CD2-CE3 3.94Å; L1253-W1276 HydrophobicContact CD2-CG 4.02Å; L1253-W1276 HydrophobicContact CD2-CZ2 4.34Å; L1253-W1276 HydrophobicContact CD2-CZ3 4.4Å; L1253-W1276 HydrophobicContact CG-CD2 4.03Å; L1253-W1276 HydrophobicContact CG-CE3 3.84Å; L1253-W1276 HydrophobicContact CG-CH2 3.95Å; L1253-W1276 HydrophobicContact CG-CZ2 4.1Å; L1253-W1276 HydrophobicContact CG-CZ3 3.82Å
1254P77Confident81.7Confident2 Ų263.9 Ų63.91%0.01333%0.329CS..  trans-70.6128-177.125.5-31.1000111.9K1259 R1260 E1275 I1277P1254-K1259 HydrophobicContact CB-CB 3.51Å; P1254-K1259 HydrophobicContact CG-CB 4.32Å; P1254-K1259 WeakPolarHBondContact CG-O 3.36Å; P1254-R1260 HydrophobicContact CB-CG 4.26Å; P1254-R1260 HydrophobicContact CG-CG 3.9Å; P1254-R1260 PolarHBondContact O-NE 3.06Å; P1254-R1260 PolarHBondContact O-NH2 2.88Å; P1254-E1275 WeakPolarHBondContact CD-O 3.5Å; P1254-I1277 HydrophobicContact CB-CD1 4.03Å; P1254-I1277 HydrophobicContact CG-CD1 4.27Å
1255T71.6Confident81.7Confident114 Ų11459.9 Ų59.970%0.69931%0.313SS*.  trans-81.5-32.7174.350.40000112.4L1253 R1260L1253-T1255 PolarHBondContact O-N 3.37Å; T1255-R1260 VanDerWaalsContact O-CZ 3.3Å; T1255-R1260 PolarHBondContact O-NH1 3.13Å; T1255-R1260 PolarHBondContact O-NH2 3.27Å
1256T70Confident81.8Confident68 Ų6862.6 Ų62.642%0.41733%0.329SS..SBendtrans-88.2146.5-177.257.30000111.9D1258 R1260T1256-D1258 VanDerWaalsContact C-N 3.31Å; T1256-D1258 WeakPolarHBondContact CB-OD1 3.45Å; T1256-D1258 PolarHBondContact O-N 2.93Å; T1256-D1258 PolarHBondContact OG1-OD1 3.12Å; T1256-R1260 WeakPolarHBondContact O-CG 3.33Å; T1256-R1260 PolarHBondContact O-N 3.43Å
1257N70.4Confident81.8Confident99 Ų9968 Ų6853%0.52935%0.354SS..THydrogen-bonded Turntrans-76.8-13.9-171.8-69-23.3000114.4R1260N1257-R1260 WeakPolarHBondContact OD1-CD 3.36Å; N1257-R1260 PolarHBondContact OD1-NH1 3.24Å
1258D69.1Low81.9Confident116 Ų11665.3 Ų65.362%0.6234%0.336SS*.THydrogen-bonded Turntrans-74-36.7174.563.9-32.1000113T1256T1256-D1258 VanDerWaalsContact C-N 3.31Å; T1256-D1258 WeakPolarHBondContact CB-OD1 3.45Å; T1256-D1258 PolarHBondContact O-N 2.93Å; T1256-D1258 PolarHBondContact OG1-OD1 3.12Å
1259K75.6Confident82.2Confident48 Ų4867 Ų6721%0.20935%0.345CS..THydrogen-bonded Turntrans-86.8-9.3174.5-67.4-173.9-179.4-176.70113.3F1083 P1254 I1277 E1279F1083-K1259 WeakPolarHBondContact CE1-O 3.5Å; P1254-K1259 HydrophobicContact CB-CB 3.51Å; P1254-K1259 HydrophobicContact CG-CB 4.32Å; P1254-K1259 WeakPolarHBondContact CG-O 3.36Å; K1259-I1277 HydrophobicContact CB-CD1 4.19Å; K1259-I1277 HydrophobicContact CD-CD1 3.96Å; K1259-E1279 IonicContact NZ-OE1 3.68Å; K1259-E1279 PolarHBondContact NZ-OE1 2.84Å
1260R83Confident82.2Confident76 Ų7668.8 Ų68.829%0.28735%0.351SS..SBendtrans-80.6150.2174-77.5170.3175175.3-5.6111.1P1254 T1255 T1256 N1257 T1262 L1273 S1274P1254-R1260 HydrophobicContact CB-CG 4.26Å; P1254-R1260 HydrophobicContact CG-CG 3.9Å; P1254-R1260 PolarHBondContact O-NE 3.06Å; P1254-R1260 PolarHBondContact O-NH2 2.88Å; T1255-R1260 VanDerWaalsContact O-CZ 3.3Å; T1255-R1260 PolarHBondContact O-NH1 3.13Å; T1255-R1260 PolarHBondContact O-NH2 3.27Å; T1256-R1260 WeakPolarHBondContact O-CG 3.33Å; T1256-R1260 PolarHBondContact O-N 3.43Å; N1257-R1260 WeakPolarHBondContact OD1-CD 3.36Å; N1257-R1260 PolarHBondContact OD1-NH1 3.24Å; R1260-T1262 PolarHBondContact O-N 3.46Å; R1260-L1273 WeakPolarHBondContact CB-O 3.47Å; R1260-S1274 PolarHBondContact NE-OG 3.49Å
1261R83.6Confident82.5Confident98 Ų9871.3 Ų71.337%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-83.498.5174.1-171.3-177.7-177.7164.88.3109.7V1263 L1273 E1275R1261-V1263 HydrophobicContact CG-CG2 3.81Å; R1261-L1273 PolarHBondContact N-O 3.35Å; R1261-L1273 PolarHBondContact O-N 3.42Å; R1261-E1275 HydrophobicContact CB-CG 4.26Å; R1261-E1275 WeakPolarHBondContact CB-OE2 3.34Å; R1261-E1275 WeakPolarHBondContact CD-OE1 3.37Å; R1261-E1275 VanDerWaalsContact CD-OE2 3.26Å; R1261-E1275 WeakPolarHBondContact CD-OE2 3.43Å; R1261-E1275 IonicContact CZ-OE1 3.76Å; R1261-E1275 IonicContact NE-OE1 3.89Å; R1261-E1275 IonicContact NH1-OE1 2.71Å; R1261-E1275 PolarHBondContact NH1-OE1 3.35Å; R1261-E1275 IonicContact NH1-OE2 3.92Å
1262T84.4Confident82.6Confident27 Ų2771.3 Ų71.317%0.16637%0.368CS..EExtended strand (participates in β ladder)trans-72.8129.2165.6-50.30000109.7R1260 Y1270 K1271 S1272R1260-T1262 PolarHBondContact O-N 3.46Å; T1262-Y1270 HydrophobicContact CG2-CD1 3.62Å; T1262-Y1270 HydrophobicContact CG2-CG 4.28Å; T1262-K1271 WeakPolarHBondContact CA-O 3.33Å; T1262-S1272 PolarHBondContact OG1-OG 2.84Å
1263V86.8Confident82.9Confident55 Ų5571.4 Ų71.433%0.33337%0.371SS..EExtended strand (participates in β ladder)trans-125.1143.2177.4-171.20000108.4R1261 K1271 L1273R1261-V1263 HydrophobicContact CG-CG2 3.81Å; V1263-K1271 PolarHBondContact N-O 2.74Å; V1263-K1271 PolarHBondContact O-N 3.42Å; V1263-L1273 HydrophobicContact CG2-CD1 3.89Å; V1263-L1273 HydrophobicContact CG2-CG 4.37Å
1264I88.9Confident83Confident70 Ų7070.7 Ų70.736%0.35937%0.372SS..EExtended strand (participates in β ladder)trans-85.4125.7171-60174.5000108.2R908 E1269 Y1270R908-I1264 HydrophobicContact CB-CD1 4.15Å; R908-I1264 HydrophobicContact CG-CD1 4.16Å; I1264-E1269 CarbonylContact C-O 3.5Å; I1264-E1269 VanDerWaalsContact CA-O 3.29Å; I1264-E1269 WeakPolarHBondContact CA-O 3.34Å; I1264-Y1270 HydrophobicContact CD1-CE1 3.94Å; I1264-Y1270 HydrophobicContact CG1-CD1 3.84Å; I1264-Y1270 HydrophobicContact CG1-CE1 3.71Å
1265T90.4Very high83.6Confident30 Ų3071 Ų7118%0.18437%0.374CS..  trans-77165.6179.1760000111.7E1267 G1268 E1269 K1271T1265-E1267 WeakPolarHBondContact CB-OE2 3.37Å; T1265-E1267 PolarHBondContact O-N 2.96Å; T1265-E1267 PolarHBondContact OG1-N 2.81Å; T1265-E1267 PolarHBondContact OG1-OE2 3.16Å; T1265-G1268 WeakPolarHBondContact O-CA 3.44Å; T1265-G1268 PolarHBondContact O-N 3.39Å; T1265-E1269 PolarHBondContact N-O 3.06Å; T1265-E1269 PolarHBondContact OG1-N 2.88Å; T1265-K1271 HydrophobicContact CG2-CB 3.98Å; T1265-K1271 HydrophobicContact CG2-CD 4.4Å
1266P90.1Very high84.5Confident116 Ų11668.3 Ų68.375%0.75335%0.351SS*.THydrogen-bonded Turntrans-57.6-32.2174.7-2536000113.6N854 G1268N854-P1266 PolarHBondContact ND2-O 3.32Å; P1266-G1268 PolarHBondContact O-N 3.44Å
1267E90.7Very high85.5Confident112 Ų11265.1 Ų65.152%0.52333%0.331SS..THydrogen-bonded Turntrans-72.3-9.6174.7-4971.1-148.600112.1S853 N854 T1265S853-E1267 CarbonylContact C-O 3.56Å; S853-E1267 WeakPolarHBondContact CA-O 3.46Å; S853-E1267 WeakPolarHBondContact CB-O 3.25Å; N854-E1267 PolarHBondContact N-O 3.39Å; N854-E1267 PolarHBondContact ND2-O 3.04Å; T1265-E1267 WeakPolarHBondContact CB-OE2 3.37Å; T1265-E1267 PolarHBondContact O-N 2.96Å; T1265-E1267 PolarHBondContact OG1-N 2.81Å; T1265-E1267 PolarHBondContact OG1-OE2 3.16Å
1268G87.5Confident86.4Confident1 Ų160.4 Ų60.41%0.0131%0.306CS..SBendtrans90.312.9176.600000114.9R908 T1265 P1266R908-G1268 VanDerWaalsContact CZ-O 3.28Å; R908-G1268 PolarHBondContact NH1-O 3.04Å; R908-G1268 PolarHBondContact NH2-O 3.27Å; T1265-G1268 WeakPolarHBondContact O-CA 3.44Å; T1265-G1268 PolarHBondContact O-N 3.39Å; P1266-G1268 PolarHBondContact O-N 3.44Å
1269E89Confident87.2Confident103 Ų10357.1 Ų57.148%0.48129%0.287SS..  trans-88.6153.7-179.8-62.7-172.1170.400112S853 I1264 T1265S853-E1269 WeakPolarHBondContact CB-OE1 3.48Å; I1264-E1269 CarbonylContact C-O 3.5Å; I1264-E1269 VanDerWaalsContact CA-O 3.29Å; I1264-E1269 WeakPolarHBondContact CA-O 3.34Å; T1265-E1269 PolarHBondContact N-O 3.06Å; T1265-E1269 PolarHBondContact OG1-N 2.88Å
1270Y88.8Confident87.8Confident44 Ų4455.1 Ų55.117%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-89.2123173.8-77.6-83.4000110.8L850 K851 R908 F911 G914 T1262 I1264L850-Y1270 HydrophobicContact CD1-CE2 4.22Å; L850-Y1270 VanDerWaalsContact CD1-OH 3.3Å; L850-Y1270 WeakPolarHBondContact CD1-OH 3.31Å; L850-Y1270 HydrophobicContact CG-CE2 4.06Å; L850-Y1270 WeakPolarHBondContact O-CE2 3.5Å; K851-Y1270 HydrophobicContact CG-CD2 4.46Å; R908-Y1270 WeakPolarHBondContact CG-OH 3.42Å; F911-Y1270 PolarHBondContact O-OH 3.06Å; G914-Y1270 VanDerWaalsContact CA-CE1 3.44Å; T1262-Y1270 HydrophobicContact CG2-CD1 3.62Å; T1262-Y1270 HydrophobicContact CG2-CG 4.28Å; I1264-Y1270 HydrophobicContact CD1-CE1 3.94Å; I1264-Y1270 HydrophobicContact CG1-CD1 3.84Å; I1264-Y1270 HydrophobicContact CG1-CE1 3.71Å
1271K87.9Confident87.8Confident129 Ų12954.9 Ų54.956%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans-126.4115.6179.2-171.7170.7-175.6170.20111.1T1262 V1263 T1265 L1273T1262-K1271 WeakPolarHBondContact CA-O 3.33Å; V1263-K1271 PolarHBondContact N-O 2.74Å; V1263-K1271 PolarHBondContact O-N 3.42Å; T1265-K1271 HydrophobicContact CG2-CB 3.98Å; T1265-K1271 HydrophobicContact CG2-CD 4.4Å; K1271-L1273 HydrophobicContact CD-CD2 4.34Å; K1271-L1273 HydrophobicContact CG-CD2 4.17Å; K1271-L1273 PolarHBondContact O-N 2.77Å
1272S86.1Confident87.9Confident53 Ų5350.6 Ų50.637%0.37127%0.269SS..EExtended strand (participates in β ladder)trans-79.8114.7174-58.70000110.8T1262T1262-S1272 PolarHBondContact OG1-OG 2.84Å
1273L85.9Confident88.2Confident62 Ų6250.6 Ų50.633%0.32527%0.269SS..EExtended strand (participates in β ladder)trans-93138.4173.6-55.9-179.9000109.6R1260 R1261 V1263 K1271R1260-L1273 WeakPolarHBondContact CB-O 3.47Å; R1261-L1273 PolarHBondContact N-O 3.35Å; R1261-L1273 PolarHBondContact O-N 3.42Å; V1263-L1273 HydrophobicContact CG2-CD1 3.89Å; V1263-L1273 HydrophobicContact CG2-CG 4.37Å; K1271-L1273 HydrophobicContact CD-CD2 4.34Å; K1271-L1273 HydrophobicContact CG-CD2 4.17Å; K1271-L1273 PolarHBondContact O-N 2.77Å
1274S86.4Confident88.4Confident62 Ų6248.9 Ų48.943%0.43426%0.259SS..  trans-87.4115.1166.9-59.50000108R1260R1260-S1274 PolarHBondContact NE-OG 3.49Å
1275E89.6Confident88.6Confident9 Ų945.5 Ų45.54%0.04224%0.242CC..  trans-109.6154.3173.5-66.9-177.5149.700108.6A1089 P1254 R1261 I1277 R1298A1089-E1275 HydrophobicContact CB-CB 4.22Å; A1089-E1275 HydrophobicContact CB-CG 4.2Å; A1089-E1275 CarbonylContact O-C 3.38Å; A1089-E1275 WeakPolarHBondContact O-CA 3.44Å; A1089-E1275 WeakPolarHBondContact O-CB 3.43Å; P1254-E1275 WeakPolarHBondContact CD-O 3.5Å; R1261-E1275 HydrophobicContact CB-CG 4.26Å; R1261-E1275 WeakPolarHBondContact CB-OE2 3.34Å; R1261-E1275 WeakPolarHBondContact CD-OE1 3.37Å; R1261-E1275 VanDerWaalsContact CD-OE2 3.26Å; R1261-E1275 WeakPolarHBondContact CD-OE2 3.43Å; R1261-E1275 IonicContact CZ-OE1 3.76Å; R1261-E1275 IonicContact NE-OE1 3.89Å; R1261-E1275 IonicContact NH1-OE1 2.71Å; R1261-E1275 PolarHBondContact NH1-OE1 3.35Å; R1261-E1275 IonicContact NH1-OE2 3.92Å; E1275-I1277 PolarHBondContact O-N 3.35Å; E1275-R1298 IonicContact OE2-CZ 2.79Å; E1275-R1298 IonicContact OE2-NH1 2.99Å; E1275-R1298 PolarHBondContact OE2-NH1 3.09Å; E1275-R1298 IonicContact OE2-NH2 3.6Å; E1275-R1298 PolarHBondContact OE2-NH2 3.04Å
1276W90.2Very high88.8Confident57 Ų5749.9 Ų49.922%0.21626%0.264CS..  trans-67.1130.8169.7-68.3105.3000110.3L1084 A1089 R1090 A1092 A1095 M1251 L1253L1084-W1276 HydrophobicContact CD1-CB 4.38Å; A1089-W1276 PolarHBondContact O-N 3.24Å; R1090-W1276 PolarHBondContact O-NE1 2.94Å; A1092-W1276 HydrophobicContact CB-CH2 4.5Å; A1092-W1276 HydrophobicContact CB-CZ2 3.77Å; A1095-W1276 HydrophobicContact CB-CB 4.17Å; A1095-W1276 HydrophobicContact CB-CG 4.45Å; M1251-W1276 HydrophobicContact CE-CE3 4.33Å; M1251-W1276 HydrophobicContact CE-CZ3 4.16Å; M1251-W1276 HydrophobicContact CG-CD2 4.33Å; M1251-W1276 HydrophobicContact CG-CE3 3.51Å; M1251-W1276 HydrophobicContact CG-CZ3 3.96Å; M1251-W1276 HydrophobicContact SD-CD2 4.33Å; M1251-W1276 HydrophobicContact SD-CE3 3.99Å; M1251-W1276 HydrophobicContact SD-CZ3 4.41Å; L1253-W1276 HydrophobicContact CD1-CH2 4.15Å; L1253-W1276 HydrophobicContact CD1-CZ2 4.13Å; L1253-W1276 HydrophobicContact CD2-CD2 3.68Å; L1253-W1276 HydrophobicContact CD2-CE3 3.94Å; L1253-W1276 HydrophobicContact CD2-CG 4.02Å; L1253-W1276 HydrophobicContact CD2-CZ2 4.34Å; L1253-W1276 HydrophobicContact CD2-CZ3 4.4Å; L1253-W1276 HydrophobicContact CG-CD2 4.03Å; L1253-W1276 HydrophobicContact CG-CE3 3.84Å; L1253-W1276 HydrophobicContact CG-CH2 3.95Å; L1253-W1276 HydrophobicContact CG-CZ2 4.1Å; L1253-W1276 HydrophobicContact CG-CZ3 3.82Å
1277I90.3Very high89Confident1 Ų149.1 Ų49.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-124.1150.4173.564.8175.6000110T1081 F1083 H1252 P1254 K1259 E1275T1081-I1277 HydrophobicContact CG2-CD1 4.32Å; F1083-I1277 HydrophobicContact CD1-CG2 3.61Å; F1083-I1277 HydrophobicContact CE1-CG2 3.84Å; F1083-I1277 HydrophobicContact CG-CG2 4.35Å; H1252-I1277 PolarHBondContact N-O 2.84Å; H1252-I1277 PolarHBondContact O-N 3.44Å; H1252-I1277 VanDerWaalsContact O-N 3.16Å; P1254-I1277 HydrophobicContact CB-CD1 4.03Å; P1254-I1277 HydrophobicContact CG-CD1 4.27Å; K1259-I1277 HydrophobicContact CB-CD1 4.19Å; K1259-I1277 HydrophobicContact CD-CD1 3.96Å; E1275-I1277 PolarHBondContact O-N 3.35Å
1278L89.9Confident89.2Confident0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-110.5130.9177.4-47179.3000109.7I1082 L1084 V1098 I1099 V1249 Y1250 M1251I1082-L1278 HydrophobicContact CB-CB 4.18Å; I1082-L1278 PolarHBondContact N-O 2.77Å; I1082-L1278 PolarHBondContact O-N 3.31Å; L1084-L1278 HydrophobicContact CD1-CG 4.3Å; L1084-L1278 HydrophobicContact CD2-CD1 4.1Å; L1084-L1278 HydrophobicContact CD2-CG 4.35Å; L1084-L1278 HydrophobicContact CG-CG 4.49Å; V1098-L1278 HydrophobicContact CB-CD1 4.21Å; V1098-L1278 HydrophobicContact CG1-CD1 3.85Å; I1099-L1278 HydrophobicContact CD1-CD2 3.87Å; I1099-L1278 HydrophobicContact CG1-CD1 3.87Å; I1099-L1278 HydrophobicContact CG1-CD2 3.65Å; I1099-L1278 HydrophobicContact CG1-CG 4.39Å; V1249-L1278 HydrophobicContact CG1-CB 3.83Å; V1249-L1278 HydrophobicContact CG1-CD1 4.25Å; V1249-L1278 HydrophobicContact CG1-CG 4.45Å; Y1250-L1278 CarbonylContact O-C 3.11Å; Y1250-L1278 VanDerWaalsContact O-CA 3.27Å; Y1250-L1278 WeakPolarHBondContact O-CA 3.34Å; M1251-L1278 HydrophobicContact CB-CD2 3.76Å; M1251-L1278 HydrophobicContact CG-CD2 3.85Å; M1251-L1278 HydrophobicContact SD-CD2 4.43Å
1279E85.9Confident89.6Confident47 Ų4745 Ų4522%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-110157.1168.6-72.6-179.2172.100109.7L1080 T1081 V1249 Y1250 H1252 K1259L1080-E1279 WeakPolarHBondContact O-CA 3.38Å; T1081-E1279 HydrophobicContact CG2-CG 4.33Å; V1249-E1279 CarbonylContact C-O 3.51Å; V1249-E1279 WeakPolarHBondContact CA-O 3.26Å; Y1250-E1279 PolarHBondContact N-O 3.45Å; Y1250-E1279 PolarHBondContact O-N 3.17Å; H1252-E1279 VanDerWaalsContact CE1-CD 3.49Å; H1252-E1279 IonicContact CE1-OE1 2.69Å; H1252-E1279 IonicContact CE1-OE2 2.68Å; K1259-E1279 IonicContact NZ-OE1 3.68Å; K1259-E1279 PolarHBondContact NZ-OE1 2.84Å
1280T87.7Confident89.8Confident5 Ų544.4 Ų44.43%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-134.4151-167.850.80000112.6S1079 L1080 I1082 I1246 V1249 G1282S1079-T1280 WeakPolarHBondContact CA-O 3.31Å; S1079-T1280 VanDerWaalsContact CB-O 3.27Å; S1079-T1280 WeakPolarHBondContact CB-O 3.38Å; S1079-T1280 PolarHBondContact OG-O 2.82Å; L1080-T1280 WeakPolarHBondContact CA-OG1 3.12Å; L1080-T1280 VanDerWaalsContact CB-OG1 3.27Å; L1080-T1280 WeakPolarHBondContact CB-OG1 3.5Å; L1080-T1280 PolarHBondContact N-OG1 3.31Å; L1080-T1280 PolarHBondContact O-N 3.39Å; L1080-T1280 PolarHBondContact O-OG1 2.84Å; I1082-T1280 HydrophobicContact CD1-CG2 3.7Å; I1082-T1280 HydrophobicContact CG1-CG2 4.44Å; I1246-T1280 HydrophobicContact CG2-CG2 3.87Å; V1249-T1280 HydrophobicContact CG1-CG2 4.27Å; V1249-T1280 HydrophobicContact CG2-CG2 4.18Å; T1280-G1282 PolarHBondContact OG1-O 2.87Å
1281D84.9Confident89.9Confident72 Ų7244.8 Ų44.839%0.38524%0.24SC..EExtended strand (participates in β ladder)trans-10696.4168.1-169.9-3.8000108.8S1247 K1248 Y1250S1247-D1281 PolarHBondContact N-O 2.85Å; S1247-D1281 PolarHBondContact OG-O 2.86Å; K1248-D1281 HydrophobicContact CB-CB 4.38Å; K1248-D1281 PolarHBondContact O-N 3.37Å; Y1250-D1281 HydrophobicContact CE2-CB 4.22Å
1282G85.4Confident90.2Very high7 Ų748.1 Ų48.17%0.07225%0.249CC..EExtended strand (participates in β ladder)trans120.1169.8-164.400000113.2P1078 S1245 T1280P1078-G1282 PolarHBondContact O-N 2.96Å; S1245-G1282 VanDerWaalsContact O-CA 3.26Å; S1245-G1282 WeakPolarHBondContact O-CA 3.48Å; T1280-G1282 PolarHBondContact OG1-O 2.87Å
1283T89Confident90.5Very high27 Ų2748.9 Ų48.917%0.16625%0.249CC..  trans-137.7144-177.140.40000111.5P1078 L1080 S1245 S1301 D1303 E1306P1078-T1283 HydrophobicContact CB-CG2 3.94Å; L1080-T1283 HydrophobicContact CD2-CG2 4.16Å; L1080-T1283 HydrophobicContact CG-CG2 4.21Å; S1245-T1283 WeakPolarHBondContact CB-O 3.24Å; S1245-T1283 PolarHBondContact O-N 2.99Å; S1245-T1283 PolarHBondContact OG-O 3Å; T1283-S1301 WeakPolarHBondContact CG2-OG 3.28Å; T1283-D1303 HydrophobicContact CG2-CB 4.33Å; T1283-E1306 WeakPolarHBondContact CB-OE2 3.38Å
1284S92.5Very high90.9Very high19 Ų1946.4 Ų46.413%0.13324%0.237CC..  trans-168.448.4177.3-133.90000111I1243 S1245 L1286 K1287 V1288 E1306I1243-S1284 VanDerWaalsContact CG2-OG 3.31Å; I1243-S1284 WeakPolarHBondContact CG2-OG 3.49Å; S1245-S1284 VanDerWaalsContact OG-CB 3.22Å; S1245-S1284 WeakPolarHBondContact OG-CB 3.44Å; S1245-S1284 PolarHBondContact OG-OG 2.8Å; S1284-L1286 VanDerWaalsContact C-N 3.27Å; S1284-L1286 PolarHBondContact O-N 3.28Å; S1284-L1286 VanDerWaalsContact O-N 3.12Å; S1284-K1287 PolarHBondContact O-N 2.81Å; S1284-V1288 PolarHBondContact O-N 2.93Å; S1284-E1306 VanDerWaalsContact CA-OE1 3.31Å; S1284-E1306 WeakPolarHBondContact CA-OE1 3.28Å; S1284-E1306 PolarHBondContact N-OE1 2.76Å; S1284-E1306 VanDerWaalsContact N-OE1 3.1Å
1285L93.5Very high91.2Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-49.8-43.9-168.2-17863.9000112.7L1080 K1287 V1288 L1289 T1299 E1306 I1307 V1310 L1311L1080-L1285 HydrophobicContact CD2-CB 3.91Å; L1080-L1285 HydrophobicContact CD2-CD1 4.01Å; L1285-K1287 PolarHBondContact O-N 3.36Å; L1285-V1288 PolarHBondContact O-N 2.8Å; L1285-L1289 HydrophobicContact CD1-CD1 3.86Å; L1285-L1289 HydrophobicContact CD1-CD2 4.4Å; L1285-L1289 HydrophobicContact CD1-CG 3.94Å; L1285-L1289 HydrophobicContact CG-CD1 3.79Å; L1285-L1289 HydrophobicContact CG-CG 4.28Å; L1285-L1289 WeakPolarHBondContact O-CB 3.47Å; L1285-L1289 WeakPolarHBondContact O-CG 3.27Å; L1285-L1289 PolarHBondContact O-N 2.71Å; L1285-T1299 HydrophobicContact CD1-CG2 4.21Å; L1285-E1306 VanDerWaalsContact CB-CD 3.41Å; L1285-E1306 HydrophobicContact CB-CG 3.85Å; L1285-E1306 PolarHBondContact N-OE1 3.06Å; L1285-I1307 HydrophobicContact CD2-CG1 4.1Å; L1285-V1310 HydrophobicContact CD2-CB 4.28Å; L1285-V1310 HydrophobicContact CD2-CG1 4.24Å; L1285-V1310 HydrophobicContact CG-CG1 4.35Å; L1285-L1311 HydrophobicContact CD2-CD1 4.1Å; L1285-L1311 HydrophobicContact CD2-CG 4.34Å
1286L94.5Very high91.3Very high122 Ų12250 Ų5064%0.63925%0.247SC*.Hα-helixtrans-62.4-43.2179-178.361.7000113.1S1284 S1290 V1310S1284-L1286 VanDerWaalsContact C-N 3.27Å; S1284-L1286 PolarHBondContact O-N 3.28Å; S1284-L1286 VanDerWaalsContact O-N 3.12Å; L1286-S1290 PolarHBondContact O-N 2.99Å; L1286-V1310 HydrophobicContact CB-CG1 4.36Å; L1286-V1310 HydrophobicContact CB-CG2 4Å; L1286-V1310 HydrophobicContact CD1-CG1 4.34Å
1287K94.4Very high91.2Very high99 Ų9953.4 Ų53.443%0.4327%0.274SS..Hα-helixtrans-69.4-45.1177-72-175.6174-175.50110.5I1243 S1284 L1285 L1289 S1290 E1291I1243-K1287 HydrophobicContact CD1-CB 3.79Å; I1243-K1287 HydrophobicContact CG1-CB 4.28Å; I1243-K1287 HydrophobicContact CG1-CD 4.43Å; I1243-K1287 HydrophobicContact CG2-CB 4.24Å; I1243-K1287 HydrophobicContact CG2-CD 3.61Å; S1284-K1287 PolarHBondContact O-N 2.81Å; L1285-K1287 PolarHBondContact O-N 3.36Å; K1287-L1289 PolarHBondContact O-N 2.69Å; K1287-S1290 PolarHBondContact O-N 3.15Å; K1287-S1290 PolarHBondContact O-OG 2.77Å; K1287-E1291 PolarHBondContact O-N 2.86Å
1288V94.5Very high91.2Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-64.7-36.1-179.8169.30000112.8L1080 I1082 I1102 I1243 I1246 S1284 L1285 S1290 E1291 V1294 T1299L1080-V1288 HydrophobicContact CD1-CB 3.98Å; L1080-V1288 HydrophobicContact CD1-CG1 4.19Å; L1080-V1288 HydrophobicContact CD1-CG2 3.61Å; I1082-V1288 HydrophobicContact CD1-CG1 3.62Å; I1082-V1288 HydrophobicContact CD1-CG2 4.4Å; I1082-V1288 HydrophobicContact CG1-CG1 3.89Å; I1082-V1288 HydrophobicContact CG2-CG1 4.04Å; I1102-V1288 HydrophobicContact CG2-CG2 4.34Å; I1243-V1288 HydrophobicContact CD1-CG2 3.67Å; I1246-V1288 HydrophobicContact CD1-CG2 3.46Å; I1246-V1288 VanDerWaalsContact CD1-CG2 3.46Å; S1284-V1288 PolarHBondContact O-N 2.93Å; L1285-V1288 PolarHBondContact O-N 2.8Å; V1288-S1290 PolarHBondContact O-N 2.93Å; V1288-E1291 WeakPolarHBondContact O-CB 3.28Å; V1288-E1291 PolarHBondContact O-N 2.78Å; V1288-V1294 HydrophobicContact CG1-CG1 4.32Å; V1288-T1299 HydrophobicContact CG1-CG2 4.24Å
1289L94.6Very high91.3Very high26 Ų2656.5 Ų56.514%0.13629%0.287CS..Hα-helixtrans-67.7-21.3173.7-70.8170.9000112.8L1285 K1287 Q1296 T1299 V1310L1285-L1289 HydrophobicContact CD1-CD1 3.86Å; L1285-L1289 HydrophobicContact CD1-CD2 4.4Å; L1285-L1289 HydrophobicContact CD1-CG 3.94Å; L1285-L1289 HydrophobicContact CG-CD1 3.79Å; L1285-L1289 HydrophobicContact CG-CG 4.28Å; L1285-L1289 WeakPolarHBondContact O-CB 3.47Å; L1285-L1289 WeakPolarHBondContact O-CG 3.27Å; L1285-L1289 PolarHBondContact O-N 2.71Å; K1287-L1289 PolarHBondContact O-N 2.69Å; L1289-Q1296 HydrophobicContact CD2-CB 4.29Å; L1289-Q1296 HydrophobicContact CD2-CG 4.38Å; L1289-Q1296 WeakPolarHBondContact O-CG 3.15Å; L1289-Q1296 PolarHBondContact O-NE2 3.21Å; L1289-T1299 HydrophobicContact CD2-CG2 4.28Å; L1289-V1310 HydrophobicContact CD1-CG1 4.33Å
1290S93.3Very high91.5Very high91 Ų9157.9 Ų57.964%0.63629%0.291SS*.THydrogen-bonded Turntrans-85.9-8.5175.570.80000114.3L1286 K1287 V1288L1286-S1290 PolarHBondContact O-N 2.99Å; K1287-S1290 PolarHBondContact O-N 3.15Å; K1287-S1290 PolarHBondContact O-OG 2.77Å; V1288-S1290 PolarHBondContact O-N 2.93Å
1291E92.5Very high91.7Very high52 Ų5257.8 Ų57.824%0.24329%0.291CS..SBendtrans-71.9151.4178.7-89.9-59.7140.900113.3R1101 I1102 K1287 V1288 V1294R1101-E1291 IonicContact CZ-OE2 3.1Å; R1101-E1291 IonicContact NE-OE2 2.63Å; R1101-E1291 PolarHBondContact NE-OE2 2.71Å; I1102-E1291 HydrophobicContact CG1-CG 4.21Å; K1287-E1291 PolarHBondContact O-N 2.86Å; V1288-E1291 WeakPolarHBondContact O-CB 3.28Å; V1288-E1291 PolarHBondContact O-N 2.78Å; E1291-V1294 HydrophobicContact CB-CG2 3.86Å
1292R92.5Very high92Very high199 Ų19955.5 Ų55.575%0.75128%0.278SS*.THydrogen-bonded Turntrans-70.7155.9175.4-64.3-175.9-175.4-178.93.5110.4R1101 V1294R1101-R1292 VanDerWaalsContact NH2-C 3.25Å; R1101-R1292 PolarHBondContact NH2-O 3.45Å; R1292-V1294 PolarHBondContact O-N 2.94Å
1293D93.3Very high92.3Very high69 Ų6955.9 Ų55.937%0.36928%0.279SS..THydrogen-bonded Turntrans63-7.4179.7-47.9-73.9000116.1L1084 T1085 A1088 V1098 R1101L1084-D1293 CarbonylContact C-O 3.53Å; T1085-D1293 WeakPolarHBondContact CB-O 3.37Å; T1085-D1293 PolarHBondContact N-O 2.97Å; T1085-D1293 VanDerWaalsContact OG1-C 3.29Å; T1085-D1293 WeakPolarHBondContact OG1-CA 3.45Å; T1085-D1293 PolarHBondContact OG1-O 2.81Å; A1088-D1293 HydrophobicContact CB-CB 4.21Å; V1098-D1293 HydrophobicContact CG2-CB 3.92Å; R1101-D1293 IonicContact CZ-OD2 2.67Å; R1101-D1293 IonicContact NH1-OD2 3.5Å; R1101-D1293 PolarHBondContact NH1-OD2 2.68Å; R1101-D1293 IonicContact NH2-OD2 3.47Å; R1101-D1293 PolarHBondContact NH2-OD2 2.9Å
1294V93.3Very high92.5Very high10 Ų1055.2 Ų55.26%0.06127%0.274CS..BIsolated β-bridgetrans-76.6139.3175.8174.20000111.7I1082 V1098 I1102 V1288 E1291 R1292 Q1296I1082-V1294 HydrophobicContact CG2-CB 4.4Å; I1082-V1294 HydrophobicContact CG2-CG1 3.68Å; I1082-V1294 HydrophobicContact CG2-CG2 3.93Å; V1098-V1294 HydrophobicContact CG1-CG2 4.28Å; I1102-V1294 HydrophobicContact CD1-CG2 4.27Å; V1288-V1294 HydrophobicContact CG1-CG1 4.32Å; E1291-V1294 HydrophobicContact CB-CG2 3.86Å; R1292-V1294 PolarHBondContact O-N 2.94Å; V1294-Q1296 PolarHBondContact O-N 2.88Å
1295D92.6Very high92.6Very high14 Ų1455.1 Ų55.18%0.07527%0.273CS..  trans-83.8100.2176.1-170.9-35000110.4F1083 T1085 T1297 R1298 T1299F1083-D1295 HydrophobicContact CB-CB 3.8Å; F1083-D1295 WeakPolarHBondContact O-CB 3.3Å; F1083-D1295 PolarHBondContact O-N 3.06Å; T1085-D1295 HydrophobicContact CG2-CB 3.63Å; D1295-T1297 PolarHBondContact O-N 3.06Å; D1295-T1297 WeakPolarHBondContact OD1-CA 3.17Å; D1295-T1297 WeakPolarHBondContact OD1-CB 3.43Å; D1295-T1297 PolarHBondContact OD1-N 3.39Å; D1295-T1297 PolarHBondContact OD1-OG1 2.9Å; D1295-R1298 PolarHBondContact O-N 3.29Å; D1295-R1298 PolarHBondContact OD1-N 3.31Å; D1295-R1298 VanDerWaalsContact OD1-N 3.1Å; D1295-R1298 IonicContact OD2-CZ 3.58Å; D1295-R1298 IonicContact OD2-NE 3.66Å; D1295-R1298 PolarHBondContact OD2-NE 2.8Å; D1295-R1298 IonicContact OD2-NH2 2.77Å; D1295-R1298 PolarHBondContact OD2-NH2 3.48Å; D1295-T1299 VanDerWaalsContact O-CB 3.24Å; D1295-T1299 WeakPolarHBondContact O-CB 3.41Å; D1295-T1299 PolarHBondContact O-N 3.14Å; D1295-T1299 VanDerWaalsContact O-N 3.12Å; D1295-T1299 PolarHBondContact O-OG1 3.09Å
1296Q92.1Very high92.6Very high133 Ų13356.6 Ų56.662%0.62128%0.28SS*.THydrogen-bonded Turntrans-64.6-13.4179.3-67.4174.7-11.400114.2L1289 V1294L1289-Q1296 HydrophobicContact CD2-CB 4.29Å; L1289-Q1296 HydrophobicContact CD2-CG 4.38Å; L1289-Q1296 WeakPolarHBondContact O-CG 3.15Å; L1289-Q1296 PolarHBondContact O-NE2 3.21Å; V1294-Q1296 PolarHBondContact O-N 2.88Å
1297T89.7Confident92.7Very high129 Ų12951.1 Ų51.179%0.79125%0.251SS*.THydrogen-bonded Turntrans-97.9-25.7-176710000113.5D1295D1295-T1297 PolarHBondContact O-N 3.06Å; D1295-T1297 WeakPolarHBondContact OD1-CA 3.17Å; D1295-T1297 WeakPolarHBondContact OD1-CB 3.43Å; D1295-T1297 PolarHBondContact OD1-N 3.39Å; D1295-T1297 PolarHBondContact OD1-OG1 2.9Å
1298R89.5Confident92.7Very high56 Ų5649.8 Ų49.821%0.21125%0.246CC..THydrogen-bonded Turntrans-109.1-24.9-178.3-69-172.7-70.5159.8-2.2114.6F1083 L1084 E1275 D1295 Y1300F1083-R1298 HydrophobicContact CB-CB 3.87Å; F1083-R1298 HydrophobicContact CD1-CB 4.35Å; F1083-R1298 HydrophobicContact CD2-CB 3.55Å; F1083-R1298 VanDerWaalsContact CD2-O 3.3Å; F1083-R1298 WeakPolarHBondContact CD2-O 3.28Å; F1083-R1298 HydrophobicContact CE2-CB 4.13Å; F1083-R1298 WeakPolarHBondContact CE2-O 3.4Å; F1083-R1298 HydrophobicContact CG-CB 3.66Å; L1084-R1298 PolarHBondContact O-NH2 3.09Å; E1275-R1298 IonicContact OE2-CZ 2.79Å; E1275-R1298 IonicContact OE2-NH1 2.99Å; E1275-R1298 PolarHBondContact OE2-NH1 3.09Å; E1275-R1298 IonicContact OE2-NH2 3.6Å; E1275-R1298 PolarHBondContact OE2-NH2 3.04Å; D1295-R1298 PolarHBondContact O-N 3.29Å; D1295-R1298 PolarHBondContact OD1-N 3.31Å; D1295-R1298 VanDerWaalsContact OD1-N 3.1Å; D1295-R1298 IonicContact OD2-CZ 3.58Å; D1295-R1298 IonicContact OD2-NE 3.66Å; D1295-R1298 PolarHBondContact OD2-NE 2.8Å; D1295-R1298 IonicContact OD2-NH2 2.77Å; D1295-R1298 PolarHBondContact OD2-NH2 3.48Å; R1298-Y1300 PolarHBondContact O-N 3.43Å
1299T91.9Very high92.7Very high10 Ų1056.6 Ų56.66%0.06128%0.278CS..  trans-61.9129.2-178.2-650000111.3T1081 I1082 F1083 L1285 V1288 L1289 D1295T1081-T1299 WeakPolarHBondContact O-CA 3.36Å; I1082-T1299 HydrophobicContact CB-CG2 4.34Å; I1082-T1299 HydrophobicContact CG1-CG2 4.28Å; I1082-T1299 HydrophobicContact CG2-CG2 4.23Å; F1083-T1299 PolarHBondContact N-OG1 2.98Å; L1285-T1299 HydrophobicContact CD1-CG2 4.21Å; V1288-T1299 HydrophobicContact CG1-CG2 4.24Å; L1289-T1299 HydrophobicContact CD2-CG2 4.28Å; D1295-T1299 VanDerWaalsContact O-CB 3.24Å; D1295-T1299 WeakPolarHBondContact O-CB 3.41Å; D1295-T1299 PolarHBondContact O-N 3.14Å; D1295-T1299 VanDerWaalsContact O-N 3.12Å; D1295-T1299 PolarHBondContact O-OG1 3.09Å
1300Y90.4Very high92.7Very high75 Ų7557.6 Ų57.629%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-138.3158-176.779.2-88.2000112.8L1080 T1081 F1083 R1298L1080-Y1300 CarbonylContact C-O 3.53Å; L1080-Y1300 WeakPolarHBondContact CA-O 3.49Å; T1081-Y1300 VanDerWaalsContact CB-CE1 3.44Å; T1081-Y1300 HydrophobicContact CG2-CE1 3.95Å; T1081-Y1300 PolarHBondContact N-O 2.99Å; T1081-Y1300 PolarHBondContact O-N 3.42Å; T1081-Y1300 PolarHBondContact OG1-OH 3Å; F1083-Y1300 HydrophobicContact CE2-CD1 4.21Å; F1083-Y1300 HydrophobicContact CE2-CE1 4.3Å; R1298-Y1300 PolarHBondContact O-N 3.43Å
1301S91.4Very high92.8Very high4 Ų457.6 Ų57.63%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-108149.4175.6-169.70000111.3T1283 D1303 E1306 I1307T1283-S1301 WeakPolarHBondContact CG2-OG 3.28Å; S1301-D1303 VanDerWaalsContact C-N 3.32Å; S1301-D1303 PolarHBondContact OG-N 3.09Å; S1301-E1306 WeakPolarHBondContact CB-OE2 3.34Å; S1301-E1306 PolarHBondContact OG-OE2 2.74Å; S1301-I1307 VanDerWaalsContact O-CD1 3.25Å; S1301-I1307 WeakPolarHBondContact O-CD1 3.5Å
1302N90.3Very high92.9Very high23 Ų2356.3 Ų56.312%0.12328%0.278CS..SBendtrans-87.3-0.8164.982.32.9000112.7R1064 T1077 P1078 S1079R1064-N1302 PolarHBondContact NH2-O 3.43Å; T1077-N1302 PolarHBondContact O-ND2 3.48Å; T1077-N1302 PolarHBondContact O-OD1 3.38Å; P1078-N1302 WeakPolarHBondContact CA-OD1 3.42Å; S1079-N1302 PolarHBondContact N-OD1 2.86Å; S1079-N1302 PolarHBondContact O-N 3.27Å; S1079-N1302 PolarHBondContact O-OD1 3.46Å
1303D92.5Very high93Very high15 Ų1548.8 Ų48.88%0.0825%0.252CS..  trans-90.1113.4170.7-164.6-37000111.3P1075 T1283 S1301 C1305 E1306 I1307P1075-D1303 WeakPolarHBondContact CD-OD2 3.28Å; P1075-D1303 HydrophobicContact CG-CB 4.47Å; T1283-D1303 HydrophobicContact CG2-CB 4.33Å; S1301-D1303 VanDerWaalsContact C-N 3.32Å; S1301-D1303 PolarHBondContact OG-N 3.09Å; D1303-C1305 WeakPolarHBondContact OD1-CA 3.35Å; D1303-C1305 VanDerWaalsContact OD1-CB 3.3Å; D1303-C1305 WeakPolarHBondContact OD1-CB 3.43Å; D1303-C1305 PolarHBondContact OD1-N 3.28Å; D1303-E1306 HydrophobicContact CB-CB 3.89Å; D1303-E1306 PolarHBondContact O-N 2.92Å; D1303-E1306 PolarHBondContact OD1-N 3.01Å; D1303-I1307 WeakPolarHBondContact O-CG1 3.27Å; D1303-I1307 PolarHBondContact O-N 3.19Å; D1303-I1307 VanDerWaalsContact O-N 3.13Å
1304I94.3Very high93.2Very high14 Ų1451 Ų517%0.07226%0.26CS..Hα-helixtrans-77.5-24.3-176.5-52.6-175.4000111.5I1068 F1308 V1316 L1320 E1323 L1353I1068-I1304 HydrophobicContact CG1-CD1 4.23Å; I1068-I1304 HydrophobicContact CG2-CD1 3.95Å; I1304-F1308 PolarHBondContact O-N 2.82Å; I1304-V1316 HydrophobicContact CG2-CG1 3.44Å; I1304-V1316 VanDerWaalsContact CG2-CG1 3.44Å; I1304-L1320 HydrophobicContact CD1-CD2 3.7Å; I1304-L1320 HydrophobicContact CD1-CG 4.25Å; I1304-L1320 HydrophobicContact CG2-CD2 4.22Å; I1304-L1320 HydrophobicContact CG2-CG 4.1Å; I1304-E1323 HydrophobicContact CD1-CG 4.46Å; I1304-L1353 HydrophobicContact CG2-CD1 4.15Å
1305C93.8Very high93.2Very high17 Ų1752.1 Ų52.112%0.11527%0.271CS..Hα-helixtrans-72.6-41.6172.1-63.10000110.7D1303 F1308 E1309D1303-C1305 WeakPolarHBondContact OD1-CA 3.35Å; D1303-C1305 VanDerWaalsContact OD1-CB 3.3Å; D1303-C1305 WeakPolarHBondContact OD1-CB 3.43Å; D1303-C1305 PolarHBondContact OD1-N 3.28Å; C1305-F1308 WeakPolarHBondContact O-CB 3.43Å; C1305-F1308 PolarHBondContact O-N 2.99Å; C1305-E1309 WeakPolarHBondContact O-CG 3.48Å; C1305-E1309 PolarHBondContact O-N 3.26Å; C1305-E1309 VanDerWaalsContact O-N 3.11Å
1306E94.1Very high93.4Very high30 Ų3051.4 Ų51.414%0.1427%0.267CS..Hα-helixtrans-61.8-45.6175.3-175.2179.9-131.300111.6T1283 S1284 L1285 S1301 D1303 F1308 E1309 V1310T1283-E1306 WeakPolarHBondContact CB-OE2 3.38Å; S1284-E1306 VanDerWaalsContact CA-OE1 3.31Å; S1284-E1306 WeakPolarHBondContact CA-OE1 3.28Å; S1284-E1306 PolarHBondContact N-OE1 2.76Å; S1284-E1306 VanDerWaalsContact N-OE1 3.1Å; L1285-E1306 VanDerWaalsContact CB-CD 3.41Å; L1285-E1306 HydrophobicContact CB-CG 3.85Å; L1285-E1306 PolarHBondContact N-OE1 3.06Å; S1301-E1306 WeakPolarHBondContact CB-OE2 3.34Å; S1301-E1306 PolarHBondContact OG-OE2 2.74Å; D1303-E1306 HydrophobicContact CB-CB 3.89Å; D1303-E1306 PolarHBondContact O-N 2.92Å; D1303-E1306 PolarHBondContact OD1-N 3.01Å; E1306-F1308 VanDerWaalsContact C-N 3.27Å; E1306-F1308 PolarHBondContact O-N 3.17Å; E1306-E1309 PolarHBondContact O-N 3.32Å; E1306-E1309 VanDerWaalsContact O-N 3.14Å; E1306-V1310 HydrophobicContact CG-CG2 4.33Å; E1306-V1310 WeakPolarHBondContact O-CB 3.25Å; E1306-V1310 WeakPolarHBondContact O-CG2 3.09Å; E1306-V1310 PolarHBondContact O-N 3.12Å
1307I95.3Very high93.6Very high8 Ų847.6 Ų47.64%0.04125%0.247CC..Hα-helixtrans-61.5-35.3175.6-69.8176000111.7L1285 S1301 D1303 L1311 G1312 A1315 V1316 A1319L1285-I1307 HydrophobicContact CD2-CG1 4.1Å; S1301-I1307 VanDerWaalsContact O-CD1 3.25Å; S1301-I1307 WeakPolarHBondContact O-CD1 3.5Å; D1303-I1307 WeakPolarHBondContact O-CG1 3.27Å; D1303-I1307 PolarHBondContact O-N 3.19Å; D1303-I1307 VanDerWaalsContact O-N 3.13Å; I1307-L1311 HydrophobicContact CG2-CB 4.26Å; I1307-L1311 HydrophobicContact CG2-CD1 4.41Å; I1307-L1311 CarbonylContact O-C 3.54Å; I1307-L1311 WeakPolarHBondContact O-CA 3.46Å; I1307-L1311 PolarHBondContact O-N 2.69Å; I1307-G1312 PolarHBondContact O-N 3.03Å; I1307-G1312 VanDerWaalsContact O-N 3.07Å; I1307-A1315 HydrophobicContact CG2-CB 3.85Å; I1307-V1316 HydrophobicContact CB-CG2 4.26Å; I1307-V1316 HydrophobicContact CG2-CG2 3.74Å; I1307-A1319 HydrophobicContact CD1-CB 3.79Å; I1307-A1319 HydrophobicContact CG2-CB 4.37Å
1308F95.1Very high93.8Very high71 Ų7146 Ų4631%0.31123%0.229SC..Hα-helixtrans-64-41.3174.6-178.5-110.6000112.5I1304 C1305 E1306 G1312 I1313 V1316 L1353I1304-F1308 PolarHBondContact O-N 2.82Å; C1305-F1308 WeakPolarHBondContact O-CB 3.43Å; C1305-F1308 PolarHBondContact O-N 2.99Å; E1306-F1308 VanDerWaalsContact C-N 3.27Å; E1306-F1308 PolarHBondContact O-N 3.17Å; F1308-G1312 PolarHBondContact O-N 2.7Å; F1308-I1313 HydrophobicContact CD2-CD1 4.07Å; F1308-I1313 HydrophobicContact CE2-CB 4.37Å; F1308-I1313 HydrophobicContact CE2-CD1 3.95Å; F1308-V1316 VanDerWaalsContact CA-CG2 3.46Å; F1308-V1316 HydrophobicContact CB-CG2 3.7Å; F1308-V1316 HydrophobicContact CD2-CG2 4.27Å; F1308-L1353 HydrophobicContact CB-CD1 4.02Å; F1308-L1353 HydrophobicContact CB-CG 4.34Å; F1308-L1353 HydrophobicContact CD2-CD2 3.97Å; F1308-L1353 HydrophobicContact CD2-CG 4.1Å; F1308-L1353 HydrophobicContact CG-CD1 4.3Å; F1308-L1353 HydrophobicContact CG-CD2 4.39Å; F1308-L1353 HydrophobicContact CG-CG 4.1Å
1309E94Very high94Very high143 Ų14344 Ų4467%0.66822%0.224SC*.Hα-helixtrans-79.2-26.7-176.6-67.8176.1-168.500112.6C1305 E1306C1305-E1309 WeakPolarHBondContact O-CG 3.48Å; C1305-E1309 PolarHBondContact O-N 3.26Å; C1305-E1309 VanDerWaalsContact O-N 3.11Å; E1306-E1309 PolarHBondContact O-N 3.32Å; E1306-E1309 VanDerWaalsContact O-N 3.14Å
1310V95.2Very high94.2Very high47 Ų4743.6 Ų43.629%0.28522%0.222SC..Hα-helixtrans-101.5-41.3-178.1-179.20000114.1L1285 L1286 L1289 E1306L1285-V1310 HydrophobicContact CD2-CB 4.28Å; L1285-V1310 HydrophobicContact CD2-CG1 4.24Å; L1285-V1310 HydrophobicContact CG-CG1 4.35Å; L1286-V1310 HydrophobicContact CB-CG1 4.36Å; L1286-V1310 HydrophobicContact CB-CG2 4Å; L1286-V1310 HydrophobicContact CD1-CG1 4.34Å; L1289-V1310 HydrophobicContact CD1-CG1 4.33Å; E1306-V1310 HydrophobicContact CG-CG2 4.33Å; E1306-V1310 WeakPolarHBondContact O-CB 3.25Å; E1306-V1310 WeakPolarHBondContact O-CG2 3.09Å; E1306-V1310 PolarHBondContact O-N 3.12Å
1311L95Very high94.4Very high90 Ų9041 Ų4147%0.47121%0.213SC..THydrogen-bonded Turntrans-117.3-11.1-171-58.8178.9000114.2L1285 I1307 A1315L1285-L1311 HydrophobicContact CD2-CD1 4.1Å; L1285-L1311 HydrophobicContact CD2-CG 4.34Å; I1307-L1311 HydrophobicContact CG2-CB 4.26Å; I1307-L1311 HydrophobicContact CG2-CD1 4.41Å; I1307-L1311 CarbonylContact O-C 3.54Å; I1307-L1311 WeakPolarHBondContact O-CA 3.46Å; I1307-L1311 PolarHBondContact O-N 2.69Å; L1311-A1315 HydrophobicContact CB-CB 3.48Å; L1311-A1315 VanDerWaalsContact CB-CB 3.48Å; L1311-A1315 HydrophobicContact CD1-CB 4.37Å
1312G95Very high94.3Very high26 Ų2648.3 Ų48.327%0.26824%0.239SC..  trans82.5-178.317400000115.8I1307 F1308 E1314 A1315 V1316I1307-G1312 PolarHBondContact O-N 3.03Å; I1307-G1312 VanDerWaalsContact O-N 3.07Å; F1308-G1312 PolarHBondContact O-N 2.7Å; G1312-E1314 PolarHBondContact O-N 3.04Å; G1312-A1315 PolarHBondContact O-N 2.91Å; G1312-V1316 WeakPolarHBondContact O-CG2 3.5Å; G1312-V1316 PolarHBondContact O-N 3.08Å; G1312-V1316 VanDerWaalsContact O-N 3.16Å
1313I95.4Very high94.4Very high40 Ų4048.4 Ų48.421%0.20524%0.239CC..Hα-helixtrans-68.1-33.7-159.8-167.561.1000115.3F1308 V1316 R1317 T1348 L1353F1308-I1313 HydrophobicContact CD2-CD1 4.07Å; F1308-I1313 HydrophobicContact CE2-CB 4.37Å; F1308-I1313 HydrophobicContact CE2-CD1 3.95Å; I1313-V1316 WeakPolarHBondContact O-CB 3.36Å; I1313-V1316 PolarHBondContact O-N 3Å; I1313-R1317 PolarHBondContact O-N 3.38Å; I1313-T1348 HydrophobicContact CD1-CG2 3.82Å; I1313-T1348 HydrophobicContact CG1-CG2 4.3Å; I1313-L1353 HydrophobicContact CD1-CD2 3.61Å
1314E95.7Very high94.4Very high115 Ų11547.7 Ų47.754%0.53724%0.235SC..Hα-helixtrans-78-30.7178.3-63.4-52.2137.700112.6G1312 V1316 R1317 K1318G1312-E1314 PolarHBondContact O-N 3.04Å; E1314-V1316 PolarHBondContact O-N 3.24Å; E1314-R1317 WeakPolarHBondContact O-CB 3.48Å; E1314-R1317 PolarHBondContact O-N 3.19Å; E1314-R1317 WeakPolarHBondContact OE2-CD 3.26Å; E1314-K1318 PolarHBondContact O-N 3.49Å
1315A94.9Very high94.2Very high34 Ų3450.1 Ų50.128%0.28125%0.248SC..Hα-helixtrans-61.9-37.8166.900000110.5I1307 L1311 G1312 K1318 A1319I1307-A1315 HydrophobicContact CG2-CB 3.85Å; L1311-A1315 HydrophobicContact CB-CB 3.48Å; L1311-A1315 VanDerWaalsContact CB-CB 3.48Å; L1311-A1315 HydrophobicContact CD1-CB 4.37Å; G1312-A1315 PolarHBondContact O-N 2.91Å; A1315-K1318 PolarHBondContact O-N 2.9Å; A1315-A1319 WeakPolarHBondContact O-CB 3.31Å; A1315-A1319 PolarHBondContact O-N 2.74Å
1316V96Very high93.8Very high0 Ų053.8 Ų53.80%026%0.264CS..Hα-helixtrans-67.2-39.8173178.30000112.9I1304 I1307 F1308 G1312 I1313 E1314 K1318 A1319 L1320 L1353I1304-V1316 HydrophobicContact CG2-CG1 3.44Å; I1304-V1316 VanDerWaalsContact CG2-CG1 3.44Å; I1307-V1316 HydrophobicContact CB-CG2 4.26Å; I1307-V1316 HydrophobicContact CG2-CG2 3.74Å; F1308-V1316 VanDerWaalsContact CA-CG2 3.46Å; F1308-V1316 HydrophobicContact CB-CG2 3.7Å; F1308-V1316 HydrophobicContact CD2-CG2 4.27Å; G1312-V1316 WeakPolarHBondContact O-CG2 3.5Å; G1312-V1316 PolarHBondContact O-N 3.08Å; G1312-V1316 VanDerWaalsContact O-N 3.16Å; I1313-V1316 WeakPolarHBondContact O-CB 3.36Å; I1313-V1316 PolarHBondContact O-N 3Å; E1314-V1316 PolarHBondContact O-N 3.24Å; V1316-K1318 VanDerWaalsContact C-N 3.27Å; V1316-K1318 PolarHBondContact O-N 3.18Å; V1316-A1319 PolarHBondContact O-N 3.48Å; V1316-L1320 HydrophobicContact CG1-CD1 3.64Å; V1316-L1320 HydrophobicContact CG1-CG 3.99Å; V1316-L1320 WeakPolarHBondContact O-CB 3.09Å; V1316-L1320 WeakPolarHBondContact O-CG 3.27Å; V1316-L1320 PolarHBondContact O-N 3.22Å; V1316-L1353 HydrophobicContact CB-CD2 4.11Å; V1316-L1353 HydrophobicContact CG1-CD1 4.24Å; V1316-L1353 HydrophobicContact CG1-CD2 3.38Å; V1316-L1353 HydrophobicContact CG1-CG 4.46Å; V1316-L1353 HydrophobicContact CG2-CD2 4.31Å
1317R96.1Very high93.5Very high53 Ų5352.4 Ų52.420%0.226%0.257CS..Hα-helixtrans-49.5-51.5172178.8-151.5-176.180.816.2110.1E834 I1313 E1314 E1321 D1345 T1348E834-R1317 IonicContact OE1-CZ 3.26Å; E834-R1317 IonicContact OE1-NE 2.62Å; E834-R1317 IonicContact OE1-NH2 3.8Å; E834-R1317 PolarHBondContact OE1-NH2 3.07Å; I1313-R1317 PolarHBondContact O-N 3.38Å; E1314-R1317 WeakPolarHBondContact O-CB 3.48Å; E1314-R1317 PolarHBondContact O-N 3.19Å; E1314-R1317 WeakPolarHBondContact OE2-CD 3.26Å; R1317-E1321 PolarHBondContact O-N 3.28Å; R1317-E1321 VanDerWaalsContact O-N 3.15Å; R1317-D1345 IonicContact CZ-OD1 3.57Å; R1317-D1345 IonicContact CZ-OD2 2.95Å; R1317-D1345 IonicContact NE-OD1 3.84Å; R1317-D1345 IonicContact NH1-OD1 3.33Å; R1317-D1345 PolarHBondContact NH1-OD1 2.94Å; R1317-D1345 IonicContact NH1-OD2 2.98Å; R1317-D1345 VanDerWaalsContact NH2-CG 3.35Å; R1317-D1345 IonicContact NH2-OD1 2.96Å; R1317-D1345 PolarHBondContact NH2-OD1 3.35Å; R1317-D1345 IonicContact NH2-OD2 2.68Å; R1317-D1345 PolarHBondContact NH2-OD2 3.41Å; R1317-T1348 HydrophobicContact CB-CG2 4.39Å
1318K94.4Very high93Very high94 Ų9452.2 Ų52.241%0.40926%0.256SS..Hα-helixtrans-75.1-31-177.5-162.651157.11790113.7E1314 A1315 V1316 E1321 R1322E1314-K1318 PolarHBondContact O-N 3.49Å; A1315-K1318 PolarHBondContact O-N 2.9Å; V1316-K1318 VanDerWaalsContact C-N 3.27Å; V1316-K1318 PolarHBondContact O-N 3.18Å; K1318-E1321 WeakPolarHBondContact CD-OE2 3.46Å; K1318-E1321 WeakPolarHBondContact CE-OE2 3.22Å; K1318-E1321 IonicContact NZ-OE1 3.59Å; K1318-E1321 PolarHBondContact NZ-OE1 3.06Å; K1318-E1321 IonicContact NZ-OE2 2.71Å; K1318-E1321 PolarHBondContact NZ-OE2 3.42Å; K1318-R1322 WeakPolarHBondContact O-CB 3.2Å; K1318-R1322 WeakPolarHBondContact O-CG 3.42Å; K1318-R1322 PolarHBondContact O-N 3.37Å; K1318-R1322 VanDerWaalsContact O-N 3.07Å
1319A93.9Very high92.5Very high14 Ų1451.4 Ų51.412%0.11626%0.259CS..Hα-helixtrans-68-44.3173.300000112.1I1307 A1315 V1316 E1321 R1322 E1323I1307-A1319 HydrophobicContact CD1-CB 3.79Å; I1307-A1319 HydrophobicContact CG2-CB 4.37Å; A1315-A1319 WeakPolarHBondContact O-CB 3.31Å; A1315-A1319 PolarHBondContact O-N 2.74Å; V1316-A1319 PolarHBondContact O-N 3.48Å; A1319-E1321 PolarHBondContact O-N 2.93Å; A1319-R1322 PolarHBondContact O-N 3.24Å; A1319-E1323 WeakPolarHBondContact O-CB 3.43Å; A1319-E1323 WeakPolarHBondContact O-CG 3.1Å; A1319-E1323 PolarHBondContact O-N 2.84Å
1320L94.9Very high91.5Very high2 Ų247.7 Ų47.71%0.0124%0.241CC..Hα-helixtrans-57.6-47.7173.6-80.5163.8000111.4I1068 I1304 V1316 E1323 I1324 C1344 M1347 T1348I1068-L1320 HydrophobicContact CG2-CD2 3.72Å; I1304-L1320 HydrophobicContact CD1-CD2 3.7Å; I1304-L1320 HydrophobicContact CD1-CG 4.25Å; I1304-L1320 HydrophobicContact CG2-CD2 4.22Å; I1304-L1320 HydrophobicContact CG2-CG 4.1Å; V1316-L1320 HydrophobicContact CG1-CD1 3.64Å; V1316-L1320 HydrophobicContact CG1-CG 3.99Å; V1316-L1320 WeakPolarHBondContact O-CB 3.09Å; V1316-L1320 WeakPolarHBondContact O-CG 3.27Å; V1316-L1320 PolarHBondContact O-N 3.22Å; L1320-E1323 PolarHBondContact O-N 3.48Å; L1320-I1324 WeakPolarHBondContact O-CB 3.44Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; L1320-I1324 PolarHBondContact O-N 3.36Å; L1320-C1344 HydrophobicContact CB-CB 4.39Å; L1320-M1347 HydrophobicContact CD1-CB 4.25Å; L1320-M1347 HydrophobicContact CD1-CE 4.36Å; L1320-M1347 HydrophobicContact CD2-CE 3.77Å; L1320-M1347 HydrophobicContact CD2-SD 4.34Å; L1320-T1348 HydrophobicContact CD1-CG2 3.98Å
1321E94.2Very high90.1Very high22 Ų2246.6 Ų46.610%0.10323%0.234CC..Hα-helixtrans-58-50.4177.6-176-148.3115.700111.5R1317 K1318 A1319 N1325 Y1337 C1344R1317-E1321 PolarHBondContact O-N 3.28Å; R1317-E1321 VanDerWaalsContact O-N 3.15Å; K1318-E1321 WeakPolarHBondContact CD-OE2 3.46Å; K1318-E1321 WeakPolarHBondContact CE-OE2 3.22Å; K1318-E1321 IonicContact NZ-OE1 3.59Å; K1318-E1321 PolarHBondContact NZ-OE1 3.06Å; K1318-E1321 IonicContact NZ-OE2 2.71Å; K1318-E1321 PolarHBondContact NZ-OE2 3.42Å; A1319-E1321 PolarHBondContact O-N 2.93Å; E1321-N1325 WeakPolarHBondContact O-CB 3.15Å; E1321-N1325 PolarHBondContact O-N 3.07Å; E1321-Y1337 HydrophobicContact CG-CE2 4.4Å; E1321-C1344 PolarHBondContact N-SG 3.43Å
1322R91.2Very high89.1Confident156 Ų15645.9 Ų45.959%0.58925%0.248SC*.Hα-helixtrans-60.3-48.6178.5-80-179.6165-173.2-3.6112.4K1318 A1319 N1325 H1326K1318-R1322 WeakPolarHBondContact O-CB 3.2Å; K1318-R1322 WeakPolarHBondContact O-CG 3.42Å; K1318-R1322 PolarHBondContact O-N 3.37Å; K1318-R1322 VanDerWaalsContact O-N 3.07Å; A1319-R1322 PolarHBondContact O-N 3.24Å; R1322-N1325 PolarHBondContact O-N 3.13Å; R1322-H1326 VanDerWaalsContact O-CB 3.3Å; R1322-H1326 WeakPolarHBondContact O-CB 3.44Å; R1322-H1326 PolarHBondContact O-N 3.27Å
1323E91.1Very high88.5Confident25 Ų2546.1 Ų46.112%0.11725%0.245CC..Hα-helixtrans-64.4-44.3-178.9-80.1-70.4138.500112.5R1064 I1068 I1304 A1319 L1320 H1326 V1327R1064-E1323 IonicContact CZ-OE2 3.59Å; R1064-E1323 VanDerWaalsContact CZ-OE2 3.26Å; R1064-E1323 IonicContact NE-OE2 2.67Å; R1064-E1323 PolarHBondContact NE-OE2 2.84Å; R1064-E1323 VanDerWaalsContact NH2-CD 3.3Å; R1064-E1323 IonicContact NH2-OE1 3.46Å; R1064-E1323 IonicContact NH2-OE2 3.93Å; R1064-E1323 PolarHBondContact NH2-OE2 3.27Å; I1068-E1323 HydrophobicContact CD1-CB 3.85Å; I1304-E1323 HydrophobicContact CD1-CG 4.46Å; A1319-E1323 WeakPolarHBondContact O-CB 3.43Å; A1319-E1323 WeakPolarHBondContact O-CG 3.1Å; A1319-E1323 PolarHBondContact O-N 2.84Å; L1320-E1323 PolarHBondContact O-N 3.48Å; E1323-H1326 PolarHBondContact O-N 3.32Å; E1323-V1327 WeakPolarHBondContact O-CB 3.21Å; E1323-V1327 VanDerWaalsContact O-CG2 3.25Å; E1323-V1327 WeakPolarHBondContact O-CG2 3.11Å; E1323-V1327 PolarHBondContact O-N 3.1Å
1324I92Very high88.1Confident1 Ų147.8 Ų47.81%0.00525%0.25CC..Hα-helixtrans-68.7-40.9178.6-62.3167.9000110.3L1065 I1068 L1320 V1327 I1328 L1340 L1343L1065-I1324 HydrophobicContact CD1-CG2 4.33Å; I1068-I1324 HydrophobicContact CD1-CG1 4.48Å; I1068-I1324 HydrophobicContact CG2-CD1 4.11Å; I1068-I1324 HydrophobicContact CG2-CG1 3.85Å; L1320-I1324 WeakPolarHBondContact O-CB 3.44Å; L1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; L1320-I1324 PolarHBondContact O-N 3.36Å; I1324-V1327 PolarHBondContact O-N 2.68Å; I1324-I1328 HydrophobicContact CG2-CD1 3.91Å; I1324-I1328 WeakPolarHBondContact O-CG1 3.24Å; I1324-I1328 PolarHBondContact O-N 3.14Å; I1324-I1328 VanDerWaalsContact O-N 3.11Å; I1324-L1340 HydrophobicContact CB-CD2 4.18Å; I1324-L1340 HydrophobicContact CG2-CD2 3.53Å; I1324-L1343 HydrophobicContact CD1-CD2 4.11Å
1325N90.8Very high87.9Confident64 Ų6442.4 Ų42.434%0.34223%0.225SC..Hα-helixtrans-63.7-44.5176.2-17234.3000111.7E1321 R1322 V1327 I1328 S1329 L1340E1321-N1325 WeakPolarHBondContact O-CB 3.15Å; E1321-N1325 PolarHBondContact O-N 3.07Å; R1322-N1325 PolarHBondContact O-N 3.13Å; N1325-V1327 VanDerWaalsContact C-N 3.32Å; N1325-V1327 PolarHBondContact O-N 2.97Å; N1325-I1328 PolarHBondContact O-N 2.75Å; N1325-S1329 VanDerWaalsContact O-CB 3.29Å; N1325-S1329 WeakPolarHBondContact O-CB 3.24Å; N1325-S1329 PolarHBondContact O-N 3.3Å; N1325-S1329 PolarHBondContact O-OG 2.99Å; N1325-L1340 HydrophobicContact CB-CD1 4.15Å
1326H86.4Confident87.8Confident95 Ų9541 Ų4144%0.4421%0.212SC..Hα-helixtrans-57.8-45175.6-179.668.1000111.4R1322 E1323 I1328 S1329 F1330R1322-H1326 VanDerWaalsContact O-CB 3.3Å; R1322-H1326 WeakPolarHBondContact O-CB 3.44Å; R1322-H1326 PolarHBondContact O-N 3.27Å; E1323-H1326 PolarHBondContact O-N 3.32Å; H1326-I1328 VanDerWaalsContact C-N 3.34Å; H1326-I1328 PolarHBondContact O-N 2.89Å; H1326-S1329 PolarHBondContact O-OG 2.85Å; H1326-F1330 WeakPolarHBondContact O-CB 3.48Å; H1326-F1330 PolarHBondContact O-N 3.2Å; H1326-F1330 VanDerWaalsContact O-N 3.14Å
1327V86.6Confident87.7Confident1 Ų144.6 Ų44.61%0.00623%0.226CC..Hα-helixtrans-64.5-33.4179.6168.20000113.3M1043 G1061 R1064 L1065 I1068 E1323 I1324 N1325M1043-V1327 HydrophobicContact CE-CG1 4.35Å; G1061-V1327 WeakPolarHBondContact O-CG1 3.22Å; R1064-V1327 HydrophobicContact CB-CG2 3.96Å; R1064-V1327 HydrophobicContact CG-CG2 3.52Å; L1065-V1327 HydrophobicContact CB-CG1 3.97Å; L1065-V1327 HydrophobicContact CD1-CG1 4.49Å; I1068-V1327 HydrophobicContact CD1-CG2 4.2Å; E1323-V1327 WeakPolarHBondContact O-CB 3.21Å; E1323-V1327 VanDerWaalsContact O-CG2 3.25Å; E1323-V1327 WeakPolarHBondContact O-CG2 3.11Å; E1323-V1327 PolarHBondContact O-N 3.1Å; I1324-V1327 PolarHBondContact O-N 2.68Å; N1325-V1327 VanDerWaalsContact C-N 3.32Å; N1325-V1327 PolarHBondContact O-N 2.97Å
1328I86Confident87.7Confident3 Ų342.3 Ų42.32%0.01522%0.218CC..Hα-helixtrans-84.8-44.5179.7-66.1172.9000111.5L1036 P1039 I1324 N1325 H1326 F1330 D1331 V1335 L1340L1036-I1328 HydrophobicContact CD2-CD1 3.67Å; P1039-I1328 HydrophobicContact CB-CG2 4.49Å; P1039-I1328 HydrophobicContact CG-CG2 4.49Å; I1324-I1328 HydrophobicContact CG2-CD1 3.91Å; I1324-I1328 WeakPolarHBondContact O-CG1 3.24Å; I1324-I1328 PolarHBondContact O-N 3.14Å; I1324-I1328 VanDerWaalsContact O-N 3.11Å; N1325-I1328 PolarHBondContact O-N 2.75Å; H1326-I1328 VanDerWaalsContact C-N 3.34Å; H1326-I1328 PolarHBondContact O-N 2.89Å; I1328-F1330 PolarHBondContact O-N 3.07Å; I1328-D1331 PolarHBondContact O-N 2.6Å; I1328-V1335 HydrophobicContact CG2-CG2 3.91Å; I1328-L1340 HydrophobicContact CD1-CD2 4.28Å
1329S84.4Confident87.7Confident54 Ų5437.9 Ų37.938%0.37820%0.198SC..Hα-helixtrans-66.6-19.8179.758.20000113.8N1325 H1326 D1331 G1332 S1333N1325-S1329 VanDerWaalsContact O-CB 3.29Å; N1325-S1329 WeakPolarHBondContact O-CB 3.24Å; N1325-S1329 PolarHBondContact O-N 3.3Å; N1325-S1329 PolarHBondContact O-OG 2.99Å; H1326-S1329 PolarHBondContact O-OG 2.85Å; S1329-D1331 PolarHBondContact O-N 3.49Å; S1329-D1331 VanDerWaalsContact O-N 3.11Å; S1329-G1332 WeakPolarHBondContact O-CA 3.39Å; S1329-G1332 PolarHBondContact O-N 2.97Å; S1329-S1333 WeakPolarHBondContact CA-O 3.3Å
1330F72.3Confident87.7Confident66 Ų6637.5 Ų37.529%0.28919%0.194SC..THydrogen-bonded Turntrans-55.2-25.3174.7-176.5-106.5000114.8K1056 L1060 H1326 I1328K1056-F1330 HydrophobicContact CB-CE1 3.94Å; K1056-F1330 HydrophobicContact CB-CZ 3.87Å; K1056-F1330 HydrophobicContact CD-CE1 3.91Å; K1056-F1330 HydrophobicContact CD-CZ 4.33Å; K1056-F1330 HydrophobicContact CG-CE1 3.77Å; K1056-F1330 HydrophobicContact CG-CZ 3.69Å; L1060-F1330 HydrophobicContact CB-CD1 4.33Å; L1060-F1330 HydrophobicContact CB-CE1 4.1Å; L1060-F1330 HydrophobicContact CB-CZ 4.31Å; L1060-F1330 HydrophobicContact CD1-CD2 3.97Å; L1060-F1330 HydrophobicContact CD1-CE1 4.3Å; L1060-F1330 HydrophobicContact CD1-CE2 3.53Å; L1060-F1330 HydrophobicContact CD1-CZ 3.7Å; H1326-F1330 WeakPolarHBondContact O-CB 3.48Å; H1326-F1330 PolarHBondContact O-N 3.2Å; H1326-F1330 VanDerWaalsContact O-N 3.14Å; I1328-F1330 PolarHBondContact O-N 3.07Å
1331D65.7Low87.8Confident24 Ų2437.5 Ų37.513%0.12820%0.195CC..THydrogen-bonded Turntrans-100.313.5175.1-151.242.7000113.3M1043 N1046 Y1050 K1056 I1328 S1329 S1333M1043-D1331 HydrophobicContact CG-CB 3.87Å; M1043-D1331 HydrophobicContact SD-CB 4.48Å; N1046-D1331 PolarHBondContact ND2-OD2 3.18Å; Y1050-D1331 WeakPolarHBondContact CE2-OD1 3.39Å; K1056-D1331 IonicContact NZ-OD1 3.13Å; K1056-D1331 PolarHBondContact NZ-OD1 3.37Å; I1328-D1331 PolarHBondContact O-N 2.6Å; S1329-D1331 PolarHBondContact O-N 3.49Å; S1329-D1331 VanDerWaalsContact O-N 3.11Å; D1331-S1333 PolarHBondContact O-N 2.71Å
1332G74.3Confident87.9Confident74 Ų7436.4 Ų36.476%0.76319%0.19SC*.THydrogen-bonded Turntrans71.610.6-172.600000114.1S1329S1329-G1332 WeakPolarHBondContact O-CA 3.39Å; S1329-G1332 PolarHBondContact O-N 2.97Å
1333S82.4Confident88Confident31 Ų3129.1 Ų29.122%0.21716%0.162CC..  trans-83.5125.5179.1-69.90000111.1S1329 D1331S1329-S1333 WeakPolarHBondContact CA-O 3.3Å; D1331-S1333 PolarHBondContact O-N 2.71Å
1334Y86.7Confident88.2Confident76 Ų7628 Ų2830%0.29816%0.157SC..  trans-96138.4171.1174-108000111.1A496 N497 Y844A496-Y1334 HydrophobicContact CB-CD1 3.99Å; A496-Y1334 WeakPolarHBondContact CB-O 3.32Å; N497-Y1334 WeakPolarHBondContact OD1-CE1 3.39Å; Y844-Y1334 WeakPolarHBondContact OH-CD1 3.49Å; Y844-Y1334 WeakPolarHBondContact OH-CD2 3.19Å; Y844-Y1334 WeakPolarHBondContact OH-CE1 3.33Å; Y844-Y1334 VanDerWaalsContact OH-CE2 3.32Å; Y844-Y1334 WeakPolarHBondContact OH-CE2 3.38Å; Y844-Y1334 VanDerWaalsContact OH-CZ 3.26Å
1335V91.5Very high88.4Confident2 Ų228 Ų281%0.01216%0.157CC..  trans-130.6136.6168.2177.40000108.9Q495 S1035 L1036 P1039 I1328 H1339Q495-V1335 CarbonylContact O-C 3.56Å; Q495-V1335 WeakPolarHBondContact O-CA 3.15Å; S1035-V1335 WeakPolarHBondContact O-CG2 3.14Å; L1036-V1335 HydrophobicContact CD2-CG1 3.94Å; P1039-V1335 HydrophobicContact CG-CG2 3.9Å; I1328-V1335 HydrophobicContact CG2-CG2 3.91Å; V1335-H1339 HydrophobicContact CG1-CB 3.98Å
1336N93.4Very high88.5Confident3 Ų325.4 Ų25.42%0.01614%0.144CC..  trans-61.7132.8-177.5-166.2-34.5000111.5Q495 G839 R1338 H1339Q495-N1336 WeakPolarHBondContact O-CB 3.27Å; Q495-N1336 PolarHBondContact O-N 2.72Å; G839-N1336 PolarHBondContact O-ND2 3.17Å; N1336-R1338 HydrophobicContact CB-CG 4.2Å; N1336-R1338 PolarHBondContact ND2-NE 3.49Å; N1336-R1338 PolarHBondContact O-N 3.41Å; N1336-R1338 PolarHBondContact OD1-NE 3.31Å; N1336-H1339 PolarHBondContact O-N 2.93Å
1337Y94.1Very high88.9Confident76 Ų7621 Ų2130%0.29812%0.124SC..Hα-helixtrans-45.5-42.4-176170.5-107.8000113.3E834 E1321 H1339 L1340 A1341E834-Y1337 VanDerWaalsContact CD-OH 3.25Å; E834-Y1337 PolarHBondContact OE1-OH 3.1Å; E834-Y1337 VanDerWaalsContact OE2-CE1 3.3Å; E834-Y1337 WeakPolarHBondContact OE2-CE1 3.25Å; E834-Y1337 PolarHBondContact OE2-OH 3.28Å; E1321-Y1337 HydrophobicContact CG-CE2 4.4Å; Y1337-H1339 PolarHBondContact O-N 2.94Å; Y1337-H1339 VanDerWaalsContact O-N 3.07Å; Y1337-L1340 WeakPolarHBondContact O-CB 3.35Å; Y1337-L1340 PolarHBondContact O-N 2.96Å; Y1337-A1341 HydrophobicContact CE1-CB 4.17Å; Y1337-A1341 HydrophobicContact CE2-CB 4.28Å; Y1337-A1341 WeakPolarHBondContact O-CB 3.25Å; Y1337-A1341 PolarHBondContact O-N 3.33Å
1338R94.8Very high89.3Confident6 Ų621.2 Ų21.22%0.02313%0.125CC..Hα-helixtrans-51.3-33.9178.865.6-168.863-105.8-7.1114.4Y832 D835 L837 N1336 L1342Y832-R1338 HydrophobicContact CE2-CB 4.13Å; Y832-R1338 HydrophobicContact CE2-CG 4.38Å; Y832-R1338 WeakPolarHBondContact OH-CD 3.48Å; D835-R1338 IonicContact OD1-CZ 2.73Å; D835-R1338 IonicContact OD1-NH1 2.69Å; D835-R1338 PolarHBondContact OD1-NH1 2.91Å; D835-R1338 IonicContact OD1-NH2 3.73Å; D835-R1338 PolarHBondContact OD1-NH2 2.92Å; D835-R1338 IonicContact OD2-CZ 3.82Å; D835-R1338 IonicContact OD2-NH1 3Å; D835-R1338 IonicContact OD2-NH2 2.71Å; D835-R1338 PolarHBondContact OD2-NH2 3.29Å; L837-R1338 PolarHBondContact O-NH1 3.12Å; N1336-R1338 HydrophobicContact CB-CG 4.2Å; N1336-R1338 PolarHBondContact ND2-NE 3.49Å; N1336-R1338 PolarHBondContact O-N 3.41Å; N1336-R1338 PolarHBondContact OD1-NE 3.31Å; R1338-L1342 VanDerWaalsContact O-CB 3.25Å; R1338-L1342 WeakPolarHBondContact O-CB 3.2Å; R1338-L1342 PolarHBondContact O-N 3.03Å; R1338-L1342 VanDerWaalsContact O-N 3.09Å
1339H95.1Very high89.5Confident0 Ų024.1 Ų24.10%014%0.143CC..Hα-helixtrans-78.6-38.8179.5-57-42.4000112.5P494 S1032 S1035 L1036 V1335 N1336 Y1337 L1343P494-H1339 PolarHBondContact O-NE2 3.15Å; S1032-H1339 PolarHBondContact OG-ND1 3.04Å; S1035-H1339 WeakPolarHBondContact CB-CD2 3.07Å; S1035-H1339 PolarHBondContact OG-CD2 3.44Å; S1035-H1339 VanDerWaalsContact OG-CD2 3.27Å; S1035-H1339 PolarHBondContact OG-NE2 3.25Å; L1036-H1339 HydrophobicContact CG-CB 4.43Å; V1335-H1339 HydrophobicContact CG1-CB 3.98Å; N1336-H1339 PolarHBondContact O-N 2.93Å; Y1337-H1339 PolarHBondContact O-N 2.94Å; Y1337-H1339 VanDerWaalsContact O-N 3.07Å; H1339-L1343 PolarHBondContact O-N 2.88Å
1340L94.4Very high89.6Confident6 Ų626 Ų263%0.03114%0.144CC..Hα-helixtrans-64.9-51.3174.9-67163.8000110.1L1036 I1324 N1325 I1328 Y1337 L1342 L1343 C1344L1036-L1340 HydrophobicContact CD2-CD2 3.6Å; L1036-L1340 HydrophobicContact CD2-CG 4.19Å; I1324-L1340 HydrophobicContact CB-CD2 4.18Å; I1324-L1340 HydrophobicContact CG2-CD2 3.53Å; N1325-L1340 HydrophobicContact CB-CD1 4.15Å; I1328-L1340 HydrophobicContact CD1-CD2 4.28Å; Y1337-L1340 WeakPolarHBondContact O-CB 3.35Å; Y1337-L1340 PolarHBondContact O-N 2.96Å; L1340-L1342 PolarHBondContact O-N 2.99Å; L1340-L1343 PolarHBondContact O-N 3.25Å; L1340-C1344 PolarHBondContact O-N 2.89Å; L1340-C1344 PolarHBondContact O-SG 2.71Å
1341A95.5Very high90.3Very high2 Ų225.2 Ų25.22%0.01716%0.155CC..Hα-helixtrans-57.1-48.9177.300000111.7Y1337 L1343 C1344 D1345Y1337-A1341 HydrophobicContact CE1-CB 4.17Å; Y1337-A1341 HydrophobicContact CE2-CB 4.28Å; Y1337-A1341 WeakPolarHBondContact O-CB 3.25Å; Y1337-A1341 PolarHBondContact O-N 3.33Å; A1341-L1343 VanDerWaalsContact C-N 3.32Å; A1341-L1343 PolarHBondContact O-N 3.2Å; A1341-C1344 WeakPolarHBondContact O-CB 3.02Å; A1341-C1344 PolarHBondContact O-N 3.36Å; A1341-C1344 VanDerWaalsContact O-N 3.11Å; A1341-D1345 WeakPolarHBondContact O-CB 3.23Å; A1341-D1345 PolarHBondContact O-N 2.8Å
1342L96.4Very high91.4Very high0 Ų028.1 Ų28.10%017%0.167CC..Hα-helixtrans-64.6-32.6-178.6-170.765000113.3M809 V812 V820 V828 Q829 V1028 R1338 L1340 V1346M809-L1342 HydrophobicContact CE-CB 4.29Å; M809-L1342 HydrophobicContact CE-CD2 4.15Å; M809-L1342 HydrophobicContact CE-CG 3.87Å; V812-L1342 HydrophobicContact CG1-CD1 4.15Å; V812-L1342 HydrophobicContact CG1-CD2 4.35Å; V820-L1342 HydrophobicContact CG1-CD1 3.88Å; V828-L1342 HydrophobicContact CG1-CD1 3.78Å; Q829-L1342 HydrophobicContact CG-CD1 4.02Å; V1028-L1342 HydrophobicContact CB-CD2 4.17Å; V1028-L1342 HydrophobicContact CG2-CD2 3.98Å; V1028-L1342 WeakPolarHBondContact O-CD2 3.38Å; R1338-L1342 VanDerWaalsContact O-CB 3.25Å; R1338-L1342 WeakPolarHBondContact O-CB 3.2Å; R1338-L1342 PolarHBondContact O-N 3.03Å; R1338-L1342 VanDerWaalsContact O-N 3.09Å; L1340-L1342 PolarHBondContact O-N 2.99Å; L1342-V1346 VanDerWaalsContact O-CG2 3.3Å; L1342-V1346 WeakPolarHBondContact O-CG2 3.48Å; L1342-V1346 PolarHBondContact O-N 3.48Å; L1342-V1346 VanDerWaalsContact O-N 3.09Å
1343L95.1Very high92.2Very high2 Ų226.1 Ų26.11%0.0114%0.139CC..Hα-helixtrans-68.2-45171.4175.460.4000111.4L805 M809 L1036 I1324 H1339 L1340 A1341 D1345 V1346 M1347 I1356L805-L1343 HydrophobicContact CD2-CD1 3.78Å; L805-L1343 HydrophobicContact CD2-CD2 3.83Å; L805-L1343 HydrophobicContact CD2-CG 4.5Å; M809-L1343 HydrophobicContact CE-CB 4.28Å; M809-L1343 HydrophobicContact SD-CB 4.4Å; M809-L1343 HydrophobicContact SD-CD1 3.89Å; L1036-L1343 HydrophobicContact CD1-CB 3.84Å; L1036-L1343 HydrophobicContact CD1-CD2 3.6Å; L1036-L1343 HydrophobicContact CD1-CG 4.33Å; I1324-L1343 HydrophobicContact CD1-CD2 4.11Å; H1339-L1343 PolarHBondContact O-N 2.88Å; L1340-L1343 PolarHBondContact O-N 3.25Å; A1341-L1343 VanDerWaalsContact C-N 3.32Å; A1341-L1343 PolarHBondContact O-N 3.2Å; L1343-D1345 VanDerWaalsContact C-N 3.27Å; L1343-D1345 PolarHBondContact O-N 2.9Å; L1343-V1346 PolarHBondContact O-N 2.78Å; L1343-M1347 HydrophobicContact CD1-CG 4.37Å; L1343-M1347 HydrophobicContact CD1-SD 4.26Å; L1343-M1347 HydrophobicContact CG-SD 4.31Å; L1343-M1347 WeakPolarHBondContact O-CG 3.48Å; L1343-M1347 PolarHBondContact O-N 3.24Å; L1343-I1356 HydrophobicContact CD1-CD1 4.32Å; L1343-I1356 HydrophobicContact CD1-CG1 4.19Å
1344C95.5Very high92.6Very high1 Ų125.2 Ų25.21%0.00713%0.131CC..Hα-helixtrans-58.1-42.6177.2-62.40000110.8L1320 E1321 L1340 A1341 M1347 T1348L1320-C1344 HydrophobicContact CB-CB 4.39Å; E1321-C1344 PolarHBondContact N-SG 3.43Å; L1340-C1344 PolarHBondContact O-N 2.89Å; L1340-C1344 PolarHBondContact O-SG 2.71Å; A1341-C1344 WeakPolarHBondContact O-CB 3.02Å; A1341-C1344 PolarHBondContact O-N 3.36Å; A1341-C1344 VanDerWaalsContact O-N 3.11Å; C1344-M1347 CarbonylContact O-C 3.58Å; C1344-M1347 WeakPolarHBondContact O-CA 3.44Å; C1344-M1347 WeakPolarHBondContact O-CB 3.47Å; C1344-M1347 PolarHBondContact O-N 3Å; C1344-T1348 WeakPolarHBondContact O-CG2 3.49Å; C1344-T1348 PolarHBondContact O-N 2.94Å; C1344-T1348 PolarHBondContact O-OG1 3.05Å; C1344-T1348 VanDerWaalsContact O-OG1 3.07Å
1345D95.4Very high92.9Very high2 Ų222.4 Ų22.41%0.01112%0.124CC..Hα-helixtrans-66.7-42179.8-66.2-14.9000112.4V828 Q829 R1317 A1341 L1343 M1347 T1348 T1349V828-D1345 HydrophobicContact CG1-CB 3.82Å; Q829-D1345 VanDerWaalsContact CG-OD2 3.31Å; Q829-D1345 WeakPolarHBondContact CG-OD2 3.42Å; Q829-D1345 PolarHBondContact NE2-OD2 3.14Å; R1317-D1345 IonicContact CZ-OD1 3.57Å; R1317-D1345 IonicContact CZ-OD2 2.95Å; R1317-D1345 IonicContact NE-OD1 3.84Å; R1317-D1345 IonicContact NH1-OD1 3.33Å; R1317-D1345 PolarHBondContact NH1-OD1 2.94Å; R1317-D1345 IonicContact NH1-OD2 2.98Å; R1317-D1345 VanDerWaalsContact NH2-CG 3.35Å; R1317-D1345 IonicContact NH2-OD1 2.96Å; R1317-D1345 PolarHBondContact NH2-OD1 3.35Å; R1317-D1345 IonicContact NH2-OD2 2.68Å; R1317-D1345 PolarHBondContact NH2-OD2 3.41Å; A1341-D1345 WeakPolarHBondContact O-CB 3.23Å; A1341-D1345 PolarHBondContact O-N 2.8Å; L1343-D1345 VanDerWaalsContact C-N 3.27Å; L1343-D1345 PolarHBondContact O-N 2.9Å; D1345-M1347 PolarHBondContact O-N 3.25Å; D1345-T1348 PolarHBondContact O-N 3.33Å; D1345-T1349 HydrophobicContact CB-CG2 4.19Å; D1345-T1349 WeakPolarHBondContact O-CB 3.5Å; D1345-T1349 WeakPolarHBondContact O-CG2 3.03Å; D1345-T1349 PolarHBondContact O-N 3.19Å; D1345-T1349 PolarHBondContact O-OG1 3.45Å
1346V93.4Very high92.9Very high10 Ų1022.3 Ų22.36%0.06112%0.123CC..Hα-helixtrans-61.2-27.8171.1168.80000111.5M809 V812 V828 L1342 L1343 M1354 I1356M809-V1346 HydrophobicContact CE-CG2 4.25Å; M809-V1346 HydrophobicContact CG-CG1 4.21Å; M809-V1346 HydrophobicContact CG-CG2 4.39Å; V812-V1346 HydrophobicContact CG2-CG2 4.27Å; V828-V1346 HydrophobicContact CG1-CG2 4.06Å; L1342-V1346 VanDerWaalsContact O-CG2 3.3Å; L1342-V1346 WeakPolarHBondContact O-CG2 3.48Å; L1342-V1346 PolarHBondContact O-N 3.48Å; L1342-V1346 VanDerWaalsContact O-N 3.09Å; L1343-V1346 PolarHBondContact O-N 2.78Å; V1346-M1354 HydrophobicContact CG1-CE 3.7Å; V1346-M1354 WeakPolarHBondContact O-CE 3.39Å; V1346-I1356 HydrophobicContact CG1-CD1 4.38Å
1347M94.1Very high92.7Very high3 Ų323.3 Ų23.32%0.01513%0.13CC..Hα-helixtrans-83.4-24.2175.2-69.5-178.161.900114.8V1071 L1320 L1343 C1344 D1345 M1354 I1356V1071-M1347 HydrophobicContact CG2-CE 3.78Å; L1320-M1347 HydrophobicContact CD1-CB 4.25Å; L1320-M1347 HydrophobicContact CD1-CE 4.36Å; L1320-M1347 HydrophobicContact CD2-CE 3.77Å; L1320-M1347 HydrophobicContact CD2-SD 4.34Å; L1343-M1347 HydrophobicContact CD1-CG 4.37Å; L1343-M1347 HydrophobicContact CD1-SD 4.26Å; L1343-M1347 HydrophobicContact CG-SD 4.31Å; L1343-M1347 WeakPolarHBondContact O-CG 3.48Å; L1343-M1347 PolarHBondContact O-N 3.24Å; C1344-M1347 CarbonylContact O-C 3.58Å; C1344-M1347 WeakPolarHBondContact O-CA 3.44Å; C1344-M1347 WeakPolarHBondContact O-CB 3.47Å; C1344-M1347 PolarHBondContact O-N 3Å; D1345-M1347 PolarHBondContact O-N 3.25Å; M1347-M1354 PolarHBondContact O-N 2.91Å; M1347-I1356 HydrophobicContact CG-CD1 3.69Å; M1347-I1356 HydrophobicContact CG-CG1 3.89Å; M1347-I1356 HydrophobicContact SD-CD1 4.41Å; M1347-I1356 HydrophobicContact SD-CG1 3.94Å
1348T94.2Very high92.3Very high5 Ų524 Ų243%0.03113%0.132CC..Hα-helixtrans-111.9-28.4-172.557.50000115.8I1313 R1317 L1320 C1344 D1345 K1350 G1351I1313-T1348 HydrophobicContact CD1-CG2 3.82Å; I1313-T1348 HydrophobicContact CG1-CG2 4.3Å; R1317-T1348 HydrophobicContact CB-CG2 4.39Å; L1320-T1348 HydrophobicContact CD1-CG2 3.98Å; C1344-T1348 WeakPolarHBondContact O-CG2 3.49Å; C1344-T1348 PolarHBondContact O-N 2.94Å; C1344-T1348 PolarHBondContact O-OG1 3.05Å; C1344-T1348 VanDerWaalsContact O-OG1 3.07Å; D1345-T1348 PolarHBondContact O-N 3.33Å; T1348-K1350 PolarHBondContact O-N 3.47Å; T1348-G1351 PolarHBondContact O-N 2.85Å
1349T91Very high91.8Very high64 Ų6428.3 Ų28.339%0.39315%0.152SC..THydrogen-bonded Turntrans-55.7-6.9-170.343.40000117.5V828 D1345V828-T1349 HydrophobicContact CG1-CG2 4.3Å; D1345-T1349 HydrophobicContact CB-CG2 4.19Å; D1345-T1349 WeakPolarHBondContact O-CB 3.5Å; D1345-T1349 WeakPolarHBondContact O-CG2 3.03Å; D1345-T1349 PolarHBondContact O-N 3.19Å; D1345-T1349 PolarHBondContact O-OG1 3.45Å
1350K86.5Confident91.2Very high93 Ų9328.6 Ų28.640%0.40416%0.155SC..THydrogen-bonded Turntrans-99.67.4173.6-65.5-63.4-177.9178.40114.2H826 T1348 H1352H826-K1350 PolarHBondContact CD2-NZ 2.92Å; H826-K1350 VanDerWaalsContact CD2-NZ 3.31Å; H826-K1350 PolarHBondContact CE1-NZ 3.14Å; H826-K1350 PolarHBondContact NE2-NZ 3.1Å; H826-K1350 VanDerWaalsContact NE2-NZ 3.15Å; T1348-K1350 PolarHBondContact O-N 3.47Å; K1350-H1352 PolarHBondContact O-N 3.13Å
1351G86.9Confident90.6Very high50 Ų5028.5 Ų28.552%0.51515%0.154SC..SBendtrans73.19.6-17900000114T1348T1348-G1351 PolarHBondContact O-N 2.85Å
1352H88.6Confident89.9Confident85 Ų8529.4 Ų29.439%0.39416%0.159SC..SBendtrans-146.3152.2176.166.552.9000109.2K1350 M1354K1350-H1352 PolarHBondContact O-N 3.13Å; H1352-M1354 PolarHBondContact O-N 3.16Å
1353L90.8Very high89.1Confident32 Ų3238.5 Ų38.517%0.16819%0.193CC..  trans-67.8117.4-179.5-52.1-169.1000111.6V1071 I1304 F1308 I1313 V1316V1071-L1353 HydrophobicContact CG1-CB 4.16Å; V1071-L1353 HydrophobicContact CG1-CD1 3.8Å; V1071-L1353 HydrophobicContact CG2-CB 4.45Å; I1304-L1353 HydrophobicContact CG2-CD1 4.15Å; F1308-L1353 HydrophobicContact CB-CD1 4.02Å; F1308-L1353 HydrophobicContact CB-CG 4.34Å; F1308-L1353 HydrophobicContact CD2-CD2 3.97Å; F1308-L1353 HydrophobicContact CD2-CG 4.1Å; F1308-L1353 HydrophobicContact CG-CD1 4.3Å; F1308-L1353 HydrophobicContact CG-CD2 4.39Å; F1308-L1353 HydrophobicContact CG-CG 4.1Å; I1313-L1353 HydrophobicContact CD1-CD2 3.61Å; V1316-L1353 HydrophobicContact CB-CD2 4.11Å; V1316-L1353 HydrophobicContact CG1-CD1 4.24Å; V1316-L1353 HydrophobicContact CG1-CD2 3.38Å; V1316-L1353 HydrophobicContact CG1-CG 4.46Å; V1316-L1353 HydrophobicContact CG2-CD2 4.31Å
1354M90.6Very high88.2Confident12 Ų1239.8 Ų39.86%0.05920%0.199CC..  trans-99.391.6176.6-171.1-165.877.300110.6V1346 M1347 H1352 I1356 Q1364V1346-M1354 HydrophobicContact CG1-CE 3.7Å; V1346-M1354 WeakPolarHBondContact O-CE 3.39Å; M1347-M1354 PolarHBondContact O-N 2.91Å; H1352-M1354 PolarHBondContact O-N 3.16Å; M1354-I1356 HydrophobicContact CE-CD1 3.64Å; M1354-I1356 PolarHBondContact O-N 2.85Å; M1354-Q1364 VanDerWaalsContact CE-NE2 3.28Å; M1354-Q1364 HydrophobicContact SD-CG 3.53Å; M1354-Q1364 VanDerWaalsContact SD-CG 3.53Å; M1354-Q1364 PolarHBondContact SD-NE2 3.32Å
1355A92.8Very high87.2Confident17 Ų1743.3 Ų43.314%0.1422%0.216CC..  trans-55.3133.8171.200000111.8N1070 V1071 T1357 G1360N1070-A1355 WeakPolarHBondContact O-CB 3.46Å; V1071-A1355 HydrophobicContact CB-CB 4.05Å; V1071-A1355 HydrophobicContact CG2-CB 3.86Å; A1355-T1357 HydrophobicContact CB-CG2 4.22Å; A1355-T1357 PolarHBondContact O-N 2.97Å; A1355-G1360 WeakPolarHBondContact O-CA 3.45Å
1356I92.6Very high86.6Confident0 Ų043.5 Ų43.50%022%0.217CC..SBendtrans-80.150.5-177.6-50.7-61.9000110.3R804 L805 A808 I1069 L1343 V1346 M1347 M1354R804-I1356 HydrophobicContact CB-CG2 4.3Å; R804-I1356 PolarHBondContact NE-O 3.36Å; R804-I1356 PolarHBondContact NH2-O 3.16Å; R804-I1356 WeakPolarHBondContact O-CG2 3.28Å; L805-I1356 HydrophobicContact CD2-CG2 4.41Å; A808-I1356 HydrophobicContact CB-CD1 3.97Å; A808-I1356 HydrophobicContact CB-CG2 3.73Å; I1069-I1356 HydrophobicContact CG2-CB 3.75Å; I1069-I1356 HydrophobicContact CG2-CG1 4.35Å; I1069-I1356 HydrophobicContact CG2-CG2 4.36Å; I1069-I1356 PolarHBondContact O-N 2.87Å; L1343-I1356 HydrophobicContact CD1-CD1 4.32Å; L1343-I1356 HydrophobicContact CD1-CG1 4.19Å; V1346-I1356 HydrophobicContact CG1-CD1 4.38Å; M1347-I1356 HydrophobicContact CG-CD1 3.69Å; M1347-I1356 HydrophobicContact CG-CG1 3.89Å; M1347-I1356 HydrophobicContact SD-CD1 4.41Å; M1347-I1356 HydrophobicContact SD-CG1 3.94Å; M1354-I1356 HydrophobicContact CE-CD1 3.64Å; M1354-I1356 PolarHBondContact O-N 2.85Å
1357T90.1Very high86.2Confident24 Ų2443.1 Ų43.115%0.14722%0.215CC..SBendtrans-112168.6177.564.90000109.3A1355 H1359 G1360 I1361A1355-T1357 HydrophobicContact CB-CG2 4.22Å; A1355-T1357 PolarHBondContact O-N 2.97Å; T1357-H1359 PolarHBondContact O-N 2.86Å; T1357-H1359 VanDerWaalsContact O-N 3.08Å; T1357-H1359 PolarHBondContact OG1-N 2.68Å; T1357-G1360 PolarHBondContact O-N 3.29Å; T1357-G1360 PolarHBondContact OG1-N 3.42Å; T1357-I1361 WeakPolarHBondContact O-CG1 3.24Å; T1357-I1361 PolarHBondContact O-N 2.81Å
1358R84.4Confident86.1Confident90 Ų9043.3 Ų43.334%0.3422%0.216SC..Hα-helixtrans-48.7-35.5166.950.6153.7-175.5-90.4-0.9112.8G1360 N1362 F1374 E1375 E1376R1358-G1360 PolarHBondContact O-N 3.2Å; R1358-N1362 WeakPolarHBondContact O-CB 3.39Å; R1358-N1362 PolarHBondContact O-N 3.25Å; R1358-N1362 PolarHBondContact O-ND2 3.4Å; R1358-F1374 HydrophobicContact CB-CD1 4.08Å; R1358-F1374 HydrophobicContact CB-CE1 3.85Å; R1358-E1375 HydrophobicContact CB-CB 4.35Å; R1358-E1375 WeakPolarHBondContact CD-OE2 3.39Å; R1358-E1375 WeakPolarHBondContact CG-OE2 3.28Å; R1358-E1375 IonicContact CZ-OE2 3.67Å; R1358-E1375 IonicContact NE-OE2 2.6Å; R1358-E1375 IonicContact NH1-OE2 3.54Å; R1358-E1375 PolarHBondContact NH1-OE2 3.22Å; R1358-E1376 WeakPolarHBondContact CD-OE1 3.42Å; R1358-E1376 IonicContact NE-OE1 3.34Å
1359H84.8Confident85.9Confident96 Ų9645.4 Ų45.444%0.44423%0.227SC..Hα-helixtrans-76.7-19.1-177.3-60.8-49.2000114.2T1357 R1363 E1376T1357-H1359 PolarHBondContact O-N 2.86Å; T1357-H1359 VanDerWaalsContact O-N 3.08Å; T1357-H1359 PolarHBondContact OG1-N 2.68Å; H1359-R1363 WeakPolarHBondContact O-CD 3.43Å; H1359-R1363 WeakPolarHBondContact O-CG 3.2Å; H1359-R1363 PolarHBondContact O-NE 3.4Å; H1359-E1376 IonicContact CE1-OE1 2.94Å
1360G81.2Confident85.9Confident6 Ų642.7 Ų42.76%0.06221%0.21CC..Hα-helixtrans-92.8-44169.400000112.6A1355 T1357 R1358 N1362 R1363 Q1364A1355-G1360 WeakPolarHBondContact O-CA 3.45Å; T1357-G1360 PolarHBondContact O-N 3.29Å; T1357-G1360 PolarHBondContact OG1-N 3.42Å; R1358-G1360 PolarHBondContact O-N 3.2Å; G1360-N1362 VanDerWaalsContact C-N 3.33Å; G1360-N1362 PolarHBondContact O-N 3.11Å; G1360-R1363 WeakPolarHBondContact O-CA 3.34Å; G1360-R1363 WeakPolarHBondContact O-CB 3.41Å; G1360-R1363 PolarHBondContact O-N 3.45Å; G1360-Q1364 PolarHBondContact O-N 3.13Å
1361I83.5Confident86Confident5 Ų539.5 Ų39.53%0.02620%0.195CC..Hα-helixtrans-59.1-44.5176.2-62169000110.3K807 A808 T1357 R1363 Q1364 F1374K807-I1361 HydrophobicContact CB-CD1 4.39Å; A808-I1361 HydrophobicContact CB-CD1 4.06Å; A808-I1361 HydrophobicContact CB-CG1 4Å; T1357-I1361 WeakPolarHBondContact O-CG1 3.24Å; T1357-I1361 PolarHBondContact O-N 2.81Å; I1361-R1363 PolarHBondContact O-N 3.47Å; I1361-R1363 VanDerWaalsContact O-N 3.16Å; I1361-Q1364 WeakPolarHBondContact O-CB 3.48Å; I1361-Q1364 PolarHBondContact O-N 3.33Å; I1361-F1374 HydrophobicContact CD1-CD1 4.29Å; I1361-F1374 HydrophobicContact CD1-CE1 4.24Å
1362N81.1Confident86.1Confident21 Ų2137.1 Ų37.111%0.11217%0.171CC..THydrogen-bonded Turntrans-74.90.5177.2-62-15.6000114.1R1358 G1360 E1376R1358-N1362 WeakPolarHBondContact O-CB 3.39Å; R1358-N1362 PolarHBondContact O-N 3.25Å; R1358-N1362 PolarHBondContact O-ND2 3.4Å; G1360-N1362 VanDerWaalsContact C-N 3.33Å; G1360-N1362 PolarHBondContact O-N 3.11Å; N1362-E1376 PolarHBondContact ND2-OE2 3.12Å
1363R77.6Confident86Confident190 Ų19033.3 Ų33.372%0.71715%0.154SC*.THydrogen-bonded Turntrans-97.4-13.9166.7-73.2173.9-176-1641.6113H1359 G1360 I1361H1359-R1363 WeakPolarHBondContact O-CD 3.43Å; H1359-R1363 WeakPolarHBondContact O-CG 3.2Å; H1359-R1363 PolarHBondContact O-NE 3.4Å; G1360-R1363 WeakPolarHBondContact O-CA 3.34Å; G1360-R1363 WeakPolarHBondContact O-CB 3.41Å; G1360-R1363 PolarHBondContact O-N 3.45Å; I1361-R1363 PolarHBondContact O-N 3.47Å; I1361-R1363 VanDerWaalsContact O-N 3.16Å
1364Q77.6Confident85.7Confident29 Ų2931.8 Ų31.814%0.13615%0.146CC..SBendtrans-63.6140.3171.8-64.8-176.5-13.900110M1354 G1360 I1361 V1366M1354-Q1364 VanDerWaalsContact CE-NE2 3.28Å; M1354-Q1364 HydrophobicContact SD-CG 3.53Å; M1354-Q1364 VanDerWaalsContact SD-CG 3.53Å; M1354-Q1364 PolarHBondContact SD-NE2 3.32Å; G1360-Q1364 PolarHBondContact O-N 3.13Å; I1361-Q1364 WeakPolarHBondContact O-CB 3.48Å; I1361-Q1364 PolarHBondContact O-N 3.33Å; Q1364-V1366 HydrophobicContact CB-CG1 4.13Å; Q1364-V1366 HydrophobicContact CB-CG2 4.1Å; Q1364-V1366 PolarHBondContact O-N 2.68Å
1365E75.2Confident85.2Confident76 Ų7633.6 Ų33.636%0.35515%0.154SC..SBendtrans-79.849.3178.1-60.8-179.8149.300111.3M824M824-E1365 WeakPolarHBondContact CE-O 3.39Å; M824-E1365 VanDerWaalsContact CG-O 3.29Å; M824-E1365 WeakPolarHBondContact CG-O 3.45Å
1366V82Confident84.8Confident5 Ų535.8 Ų35.83%0.0316%0.161CC..  trans-105.9167.4179.5-590000111.8M824 Q1364 M1370 R1371M824-V1366 HydrophobicContact CG-CG1 4.22Å; Q1364-V1366 HydrophobicContact CB-CG1 4.13Å; Q1364-V1366 HydrophobicContact CB-CG2 4.1Å; Q1364-V1366 PolarHBondContact O-N 2.68Å; V1366-M1370 HydrophobicContact CB-SD 4.02Å; V1366-M1370 HydrophobicContact CG1-SD 4.38Å; V1366-M1370 HydrophobicContact CG2-CG 4.3Å; V1366-M1370 HydrophobicContact CG2-SD 3.98Å; V1366-R1371 HydrophobicContact CG2-CG 3.86Å; V1366-R1371 VanDerWaalsContact O-CZ 3.31Å; V1366-R1371 PolarHBondContact O-NE 2.87Å; V1366-R1371 PolarHBondContact O-NH2 3.01Å
1367G84.8Confident84.6Confident2 Ų236.3 Ų36.32%0.02117%0.165CC..  trans-54.5141.8-173.300000113.9L1369 M1370 R1371 D1391 E1398G1367-L1369 PolarHBondContact O-N 2.98Å; G1367-M1370 PolarHBondContact O-N 2.68Å; G1367-R1371 PolarHBondContact O-N 3.24Å; G1367-D1391 VanDerWaalsContact C-OD2 3.24Å; G1367-D1391 VanDerWaalsContact CA-OD2 3.24Å; G1367-D1391 WeakPolarHBondContact CA-OD2 3.13Å; G1367-E1398 WeakPolarHBondContact CA-OE1 3.47Å
1368P90.9Very high84.7Confident8 Ų835.9 Ų35.95%0.05216%0.162CC..Hα-helixtrans-58.8-28.6175.324.8-35.2000113.2C1372 A1384 E1389 D1391P1368-C1372 WeakPolarHBondContact O-CB 3.25Å; P1368-C1372 PolarHBondContact O-N 3.4Å; P1368-A1384 HydrophobicContact CB-CB 3.66Å; P1368-A1384 HydrophobicContact CG-CB 4.22Å; P1368-E1389 HydrophobicContact CG-CB 4.48Å; P1368-D1391 WeakPolarHBondContact CD-OD2 3.28Å; P1368-D1391 HydrophobicContact CG-CB 4.03Å; P1368-D1391 VanDerWaalsContact N-OD2 3.14Å
1369L91.9Very high84.9Confident49 Ų4934.7 Ų34.726%0.25716%0.163SC..Hα-helixtrans-72.9-40.2175.3-62.9175.7000112G1367 C1372 S1373 L1381 D1391 L1393 E1398 M1401G1367-L1369 PolarHBondContact O-N 2.98Å; L1369-C1372 PolarHBondContact O-N 3.2Å; L1369-C1372 PolarHBondContact O-SG 3.09Å; L1369-S1373 PolarHBondContact O-N 3.05Å; L1369-L1381 HydrophobicContact CD2-CD2 4.34Å; L1369-D1391 VanDerWaalsContact CB-OD2 3.28Å; L1369-D1391 WeakPolarHBondContact CB-OD2 3.19Å; L1369-D1391 HydrophobicContact CD1-CB 4.41Å; L1369-D1391 WeakPolarHBondContact CG-OD2 3.04Å; L1369-D1391 PolarHBondContact N-OD2 3.28Å; L1369-L1393 HydrophobicContact CD1-CD2 3.95Å; L1369-E1398 HydrophobicContact CB-CG 4.11Å; L1369-M1401 VanDerWaalsContact O-CE 3.29Å; L1369-M1401 WeakPolarHBondContact O-CE 3.4Å
1370M90Very high85.2Confident7 Ų730.7 Ų30.73%0.03414%0.144CC..Hα-helixtrans-60.5-48.8170.9179175.1176.400110.7E810 V1366 G1367 C1372 S1373 E1398E810-M1370 HydrophobicContact CG-CE 3.79Å; V1366-M1370 HydrophobicContact CB-SD 4.02Å; V1366-M1370 HydrophobicContact CG1-SD 4.38Å; V1366-M1370 HydrophobicContact CG2-CG 4.3Å; V1366-M1370 HydrophobicContact CG2-SD 3.98Å; G1367-M1370 PolarHBondContact O-N 2.68Å; M1370-C1372 PolarHBondContact O-N 3.17Å; M1370-S1373 WeakPolarHBondContact O-CB 3.38Å; M1370-S1373 PolarHBondContact O-N 2.94Å; M1370-S1373 PolarHBondContact O-OG 2.91Å; M1370-E1398 HydrophobicContact CB-CG 3.89Å; M1370-E1398 VanDerWaalsContact CB-OE1 3.24Å; M1370-E1398 WeakPolarHBondContact CB-OE1 3.43Å
1371R88.1Confident85.8Confident25 Ų2533 Ų339%0.09416%0.155CC..Hα-helixtrans-59.4-46177.1-77.4179.7-81.6140.1-5.2112.2V1366 G1367 S1373 F1374 I1380 E1389V1366-R1371 HydrophobicContact CG2-CG 3.86Å; V1366-R1371 VanDerWaalsContact O-CZ 3.31Å; V1366-R1371 PolarHBondContact O-NE 2.87Å; V1366-R1371 PolarHBondContact O-NH2 3.01Å; G1367-R1371 PolarHBondContact O-N 3.24Å; R1371-S1373 PolarHBondContact O-N 3.24Å; R1371-F1374 PolarHBondContact O-N 2.71Å; R1371-I1380 HydrophobicContact CB-CD1 4.11Å; R1371-I1380 HydrophobicContact CB-CG2 3.89Å; R1371-I1380 WeakPolarHBondContact O-CD1 3.3Å; R1371-E1389 IonicContact CZ-OE2 2.73Å; R1371-E1389 IonicContact NH1-OE2 3.2Å; R1371-E1389 PolarHBondContact NH1-OE2 3.37Å; R1371-E1389 IonicContact NH2-OE2 2.66Å; R1371-E1389 PolarHBondContact NH2-OE2 2.83Å
1372C89.7Confident86.2Confident0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-66.6-13.9-175.482.40000114P1368 L1369 M1370 F1374 T1377 I1380 L1381P1368-C1372 WeakPolarHBondContact O-CB 3.25Å; P1368-C1372 PolarHBondContact O-N 3.4Å; L1369-C1372 PolarHBondContact O-N 3.2Å; L1369-C1372 PolarHBondContact O-SG 3.09Å; M1370-C1372 PolarHBondContact O-N 3.17Å; C1372-F1374 PolarHBondContact O-N 3.43Å; C1372-T1377 HydrophobicContact CB-CG2 4.27Å; C1372-T1377 WeakPolarHBondContact CB-O 3.22Å; C1372-T1377 WeakPolarHBondContact O-CA 3.43Å; C1372-T1377 VanDerWaalsContact O-CB 3.28Å; C1372-T1377 WeakPolarHBondContact O-CB 3.32Å; C1372-T1377 VanDerWaalsContact O-CG2 3.32Å; C1372-T1377 WeakPolarHBondContact O-CG2 3.45Å; C1372-T1377 PolarHBondContact O-OG1 3.37Å; C1372-I1380 HydrophobicContact CB-CB 4.4Å; C1372-I1380 HydrophobicContact CB-CG2 4.21Å; C1372-L1381 HydrophobicContact CB-CD1 4.3Å; C1372-L1381 HydrophobicContact CB-CD2 4.17Å; C1372-L1381 HydrophobicContact CB-CG 3.95Å
1373S87Confident86.5Confident5 Ų535.3 Ų35.34%0.03517%0.165CC..THydrogen-bonded Turntrans-64.2-12.1170790000114.2R803 K807 L1369 M1370 R1371R803-S1373 PolarHBondContact NH2-O 3.42Å; K807-S1373 WeakPolarHBondContact CE-OG 3.24Å; K807-S1373 PolarHBondContact NZ-OG 2.96Å; L1369-S1373 PolarHBondContact O-N 3.05Å; M1370-S1373 WeakPolarHBondContact O-CB 3.38Å; M1370-S1373 PolarHBondContact O-N 2.94Å; M1370-S1373 PolarHBondContact O-OG 2.91Å; R1371-S1373 PolarHBondContact O-N 3.24Å
1374F84Confident87.2Confident1 Ų126.7 Ų26.70%0.00414%0.135CC..SBendtrans-127.9114.4-174.9-164-103.2000114.2R804 K807 R1358 I1361 R1371 C1372 E1376R804-F1374 HydrophobicContact CG-CE2 4.37Å; R804-F1374 HydrophobicContact CG-CZ 3.8Å; K807-F1374 HydrophobicContact CB-CD2 3.93Å; K807-F1374 HydrophobicContact CB-CE2 4.33Å; K807-F1374 HydrophobicContact CB-CG 4.43Å; K807-F1374 HydrophobicContact CD-CB 4.36Å; K807-F1374 HydrophobicContact CD-CD2 4.28Å; K807-F1374 HydrophobicContact CG-CD2 3.76Å; K807-F1374 HydrophobicContact CG-CE2 4.36Å; K807-F1374 HydrophobicContact CG-CG 4.5Å; R1358-F1374 HydrophobicContact CB-CD1 4.08Å; R1358-F1374 HydrophobicContact CB-CE1 3.85Å; I1361-F1374 HydrophobicContact CD1-CD1 4.29Å; I1361-F1374 HydrophobicContact CD1-CE1 4.24Å; R1371-F1374 PolarHBondContact O-N 2.71Å; C1372-F1374 PolarHBondContact O-N 3.43Å; F1374-E1376 PolarHBondContact O-N 3.5Å
1375E79.8Confident87.9Confident50 Ų5027.9 Ų27.923%0.23415%0.15CC..SBendtrans56.5-69.4171.6-72.1-178.2-140.500117.9Y800 R1358 T1377Y800-E1375 PolarHBondContact OH-OE1 2.96Å; R1358-E1375 HydrophobicContact CB-CB 4.35Å; R1358-E1375 WeakPolarHBondContact CD-OE2 3.39Å; R1358-E1375 WeakPolarHBondContact CG-OE2 3.28Å; R1358-E1375 IonicContact CZ-OE2 3.67Å; R1358-E1375 IonicContact NE-OE2 2.6Å; R1358-E1375 IonicContact NH1-OE2 3.54Å; R1358-E1375 PolarHBondContact NH1-OE2 3.22Å; E1375-T1377 PolarHBondContact O-N 2.86Å; E1375-T1377 VanDerWaalsContact O-N 3.1Å
1376E84.2Confident88.6Confident62 Ų6224.3 Ų24.329%0.2913%0.133SC..  trans-87.530.3-168.7-61.9-179.8148.600112R1358 H1359 N1362 F1374 V1378 D1379 I1380R1358-E1376 WeakPolarHBondContact CD-OE1 3.42Å; R1358-E1376 IonicContact NE-OE1 3.34Å; H1359-E1376 IonicContact CE1-OE1 2.94Å; N1362-E1376 PolarHBondContact ND2-OE2 3.12Å; F1374-E1376 PolarHBondContact O-N 3.5Å; E1376-V1378 PolarHBondContact O-N 3.31Å; E1376-V1378 VanDerWaalsContact O-N 3.11Å; E1376-D1379 PolarHBondContact O-N 2.89Å; E1376-I1380 HydrophobicContact CB-CD1 3.89Å; E1376-I1380 HydrophobicContact CB-CG1 4.11Å; E1376-I1380 WeakPolarHBondContact O-CD1 3.39Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.18Å; E1376-I1380 PolarHBondContact O-N 3.38Å
1377T89.4Confident89Confident12 Ų1224.4 Ų24.47%0.07413%0.133CC..Hα-helixtrans-38.9-55.4-167.1-60.50000115.3I316 C1372 E1375 L1381I316-T1377 HydrophobicContact CB-CG2 4.16Å; I316-T1377 HydrophobicContact CD1-CG2 3.5Å; I316-T1377 HydrophobicContact CG1-CG2 4.31Å; I316-T1377 HydrophobicContact CG2-CG2 4.35Å; C1372-T1377 HydrophobicContact CB-CG2 4.27Å; C1372-T1377 WeakPolarHBondContact CB-O 3.22Å; C1372-T1377 WeakPolarHBondContact O-CA 3.43Å; C1372-T1377 VanDerWaalsContact O-CB 3.28Å; C1372-T1377 WeakPolarHBondContact O-CB 3.32Å; C1372-T1377 VanDerWaalsContact O-CG2 3.32Å; C1372-T1377 WeakPolarHBondContact O-CG2 3.45Å; C1372-T1377 PolarHBondContact O-OG1 3.37Å; E1375-T1377 PolarHBondContact O-N 2.86Å; E1375-T1377 VanDerWaalsContact O-N 3.1Å; T1377-L1381 WeakPolarHBondContact O-CG 3.46Å; T1377-L1381 PolarHBondContact O-N 2.95Å
1378V91Very high89.4Confident14 Ų1425.6 Ų25.69%0.08514%0.143CC..Hα-helixtrans-80.6-34.9-173.6-1720000111.2K306 L309 K310 E1376 I1380 L1381 I1382K306-V1378 HydrophobicContact CG-CB 4.13Å; K306-V1378 HydrophobicContact CG-CG1 4.05Å; K306-V1378 HydrophobicContact CG-CG2 4.1Å; L309-V1378 HydrophobicContact CB-CG2 3.63Å; L309-V1378 HydrophobicContact CD1-CG2 4.23Å; K310-V1378 HydrophobicContact CB-CG2 4.26Å; E1376-V1378 PolarHBondContact O-N 3.31Å; E1376-V1378 VanDerWaalsContact O-N 3.11Å; V1378-I1380 VanDerWaalsContact C-N 3.32Å; V1378-I1380 PolarHBondContact O-N 3.25Å; V1378-L1381 PolarHBondContact O-N 2.81Å; V1378-I1382 HydrophobicContact CG1-CD1 3.86Å; V1378-I1382 HydrophobicContact CG1-CG1 4.35Å; V1378-I1382 WeakPolarHBondContact O-CD1 3.3Å; V1378-I1382 WeakPolarHBondContact O-CG1 2.88Å; V1378-I1382 PolarHBondContact O-N 2.73Å
1379D89.9Confident89.3Confident66 Ų6627.4 Ų27.435%0.35315%0.15SC..Hα-helixtrans-70.8-31.2-177.2-50.2-66.5000111K306 E1376 E1383K306-D1379 IonicContact NZ-OD1 2.67Å; K306-D1379 PolarHBondContact NZ-OD1 2.84Å; E1376-D1379 PolarHBondContact O-N 2.89Å; D1379-E1383 PolarHBondContact O-N 3Å; D1379-E1383 VanDerWaalsContact O-N 3.13Å
1380I91Very high89.1Confident11 Ų1131.9 Ų31.96%0.05618%0.175CC..Hα-helixtrans-63.2-48.6168-66.9157.9000111.5R1371 C1372 E1376 V1378 I1382 E1383 A1384R1371-I1380 HydrophobicContact CB-CD1 4.11Å; R1371-I1380 HydrophobicContact CB-CG2 3.89Å; R1371-I1380 WeakPolarHBondContact O-CD1 3.3Å; C1372-I1380 HydrophobicContact CB-CB 4.4Å; C1372-I1380 HydrophobicContact CB-CG2 4.21Å; E1376-I1380 HydrophobicContact CB-CD1 3.89Å; E1376-I1380 HydrophobicContact CB-CG1 4.11Å; E1376-I1380 WeakPolarHBondContact O-CD1 3.39Å; E1376-I1380 WeakPolarHBondContact O-CG1 3.18Å; E1376-I1380 PolarHBondContact O-N 3.38Å; V1378-I1380 VanDerWaalsContact C-N 3.32Å; V1378-I1380 PolarHBondContact O-N 3.25Å; I1380-I1382 PolarHBondContact O-N 2.79Å; I1380-E1383 PolarHBondContact O-N 3.02Å; I1380-A1384 WeakPolarHBondContact O-CB 3.43Å; I1380-A1384 PolarHBondContact O-N 3.27Å
1381L92.9Very high89.2Confident55 Ų5533.3 Ų33.329%0.28818%0.183SC..Hα-helixtrans-65.8-37.8-179.3-67.7169.2000112I316 L1369 C1372 T1377 V1378 E1383 A1385I316-L1381 HydrophobicContact CD1-CD1 4.07Å; L1369-L1381 HydrophobicContact CD2-CD2 4.34Å; C1372-L1381 HydrophobicContact CB-CD1 4.3Å; C1372-L1381 HydrophobicContact CB-CD2 4.17Å; C1372-L1381 HydrophobicContact CB-CG 3.95Å; T1377-L1381 WeakPolarHBondContact O-CG 3.46Å; T1377-L1381 PolarHBondContact O-N 2.95Å; V1378-L1381 PolarHBondContact O-N 2.81Å; L1381-E1383 VanDerWaalsContact C-N 3.34Å; L1381-A1385 WeakPolarHBondContact O-CB 3.49Å; L1381-A1385 PolarHBondContact O-N 3.29Å
1382I91.5Very high89.2Confident27 Ų2734.6 Ų34.614%0.13819%0.194CC..Hα-helixtrans-58.6-46.2171.8-70.8158.4000110.4F64 V1378 I1380 C1386F64-I1382 HydrophobicContact CD1-CG2 3.81Å; F64-I1382 HydrophobicContact CE1-CG2 3.76Å; V1378-I1382 HydrophobicContact CG1-CD1 3.86Å; V1378-I1382 HydrophobicContact CG1-CG1 4.35Å; V1378-I1382 WeakPolarHBondContact O-CD1 3.3Å; V1378-I1382 WeakPolarHBondContact O-CG1 2.88Å; V1378-I1382 PolarHBondContact O-N 2.73Å; I1380-I1382 PolarHBondContact O-N 2.79Å; I1382-C1386 PolarHBondContact O-N 2.86Å; I1382-C1386 VanDerWaalsContact O-N 3.14Å; I1382-C1386 PolarHBondContact O-SG 2.85Å
1383E89.1Confident89.3Confident47 Ų4737.5 Ų37.522%0.2221%0.209CC..Hα-helixtrans-72.4-38.6-178.3-175.9156.6-128.200113.3K67 K103 D1379 I1380 L1381 A1385 C1386 H1387K67-E1383 IonicContact NZ-OE1 3.82Å; K67-E1383 PolarHBondContact NZ-OE1 3.35Å; K103-E1383 HydrophobicContact CD-CG 4.21Å; K103-E1383 VanDerWaalsContact CE-CD 3.42Å; K103-E1383 WeakPolarHBondContact CE-OE1 3.43Å; K103-E1383 WeakPolarHBondContact CE-OE2 3.33Å; K103-E1383 IonicContact NZ-OE1 2.8Å; K103-E1383 IonicContact NZ-OE2 2.68Å; K103-E1383 PolarHBondContact NZ-OE2 3.01Å; D1379-E1383 PolarHBondContact O-N 3Å; D1379-E1383 VanDerWaalsContact O-N 3.13Å; I1380-E1383 PolarHBondContact O-N 3.02Å; L1381-E1383 VanDerWaalsContact C-N 3.34Å; E1383-A1385 VanDerWaalsContact C-N 3.32Å; E1383-A1385 PolarHBondContact O-N 3.36Å; E1383-C1386 WeakPolarHBondContact O-CB 3.48Å; E1383-C1386 PolarHBondContact O-N 3.36Å; E1383-H1387 PolarHBondContact O-CD2 3.12Å; E1383-H1387 PolarHBondContact O-N 3.47Å
1384A91Very high89.4Confident9 Ų944.8 Ų44.87%0.07424%0.236CC..Hα-helixtrans-58.4-44.5173.100000111.5P1368 I1380 C1386 H1387 A1388 E1389P1368-A1384 HydrophobicContact CB-CB 3.66Å; P1368-A1384 HydrophobicContact CG-CB 4.22Å; I1380-A1384 WeakPolarHBondContact O-CB 3.43Å; I1380-A1384 PolarHBondContact O-N 3.27Å; A1384-C1386 VanDerWaalsContact C-N 3.34Å; A1384-C1386 PolarHBondContact O-N 3.24Å; A1384-H1387 PolarHBondContact O-N 3.21Å; A1384-A1388 PolarHBondContact O-N 3.07Å; A1384-E1389 HydrophobicContact CB-CB 4Å; A1384-E1389 HydrophobicContact CB-CG 4.47Å; A1384-E1389 PolarHBondContact O-N 3.03Å
1385A92.6Very high89.5Confident54 Ų5444.8 Ų44.845%0.44624%0.236SC..Hα-helixtrans-63.7-34.9175.300000113.1A209 L1381 E1383 H1387A209-A1385 WeakPolarHBondContact CB-O 3.2Å; L1381-A1385 WeakPolarHBondContact O-CB 3.49Å; L1381-A1385 PolarHBondContact O-N 3.29Å; E1383-A1385 VanDerWaalsContact C-N 3.32Å; E1383-A1385 PolarHBondContact O-N 3.36Å; A1385-H1387 PolarHBondContact O-N 3.12Å
1386C90.9Very high90Very high2 Ų243.8 Ų43.81%0.01423%0.233CC..Hα-helixtrans-65.4-20175.9-66.40000114.1F64 K67 M204 M214 I1382 E1383 A1384F64-C1386 WeakPolarHBondContact CD1-SG 3.35Å; F64-C1386 VanDerWaalsContact CE1-SG 3.58Å; K67-C1386 HydrophobicContact CD-CB 4.28Å; M204-C1386 WeakPolarHBondContact CG-O 3.3Å; M214-C1386 HydrophobicContact CE-CB 4.32Å; I1382-C1386 PolarHBondContact O-N 2.86Å; I1382-C1386 VanDerWaalsContact O-N 3.14Å; I1382-C1386 PolarHBondContact O-SG 2.85Å; E1383-C1386 WeakPolarHBondContact O-CB 3.48Å; E1383-C1386 PolarHBondContact O-N 3.36Å; A1384-C1386 VanDerWaalsContact C-N 3.34Å; A1384-C1386 PolarHBondContact O-N 3.24Å
1387H90.2Very high90.3Very high7 Ų740.9 Ų40.93%0.03222%0.22CC..Hα-helixtrans-124.13.3-171.2-70.4-62.7000113.5K67 P102 G203 E1383 A1384 A1385 E1389K67-H1387 PolarHBondContact NZ-NE2 2.86Å; P102-H1387 HydrophobicContact CB-CB 4.43Å; G203-H1387 PolarHBondContact O-ND1 2.89Å; E1383-H1387 PolarHBondContact O-CD2 3.12Å; E1383-H1387 PolarHBondContact O-N 3.47Å; A1384-H1387 PolarHBondContact O-N 3.21Å; A1385-H1387 PolarHBondContact O-N 3.12Å; H1387-E1389 VanDerWaalsContact C-N 3.31Å; H1387-E1389 HydrophobicContact CB-CG 4.16Å; H1387-E1389 PolarHBondContact O-N 3.01Å
1388A91.7Very high90.4Very high26 Ų2640.3 Ų40.322%0.21522%0.217CC..THydrogen-bonded Turntrans5048-171.200000112.7D205 Y208 A209 A1384 N1390D205-A1388 HydrophobicContact CB-CB 4.16Å; Y208-A1388 HydrophobicContact CD2-CB 4.35Å; Y208-A1388 HydrophobicContact CG-CB 4.41Å; A209-A1388 HydrophobicContact CB-CB 4.39Å; A1384-A1388 PolarHBondContact O-N 3.07Å; A1388-N1390 PolarHBondContact O-N 3.29Å; A1388-N1390 VanDerWaalsContact O-N 3.12Å
1389E89Confident90.5Very high46 Ų4640 Ų4022%0.21521%0.214CC..  trans-67.8107.8176.7-67.4-172.6-18000110.5P1368 R1371 A1384 H1387P1368-E1389 HydrophobicContact CG-CB 4.48Å; R1371-E1389 IonicContact CZ-OE2 2.73Å; R1371-E1389 IonicContact NH1-OE2 3.2Å; R1371-E1389 PolarHBondContact NH1-OE2 3.37Å; R1371-E1389 IonicContact NH2-OE2 2.66Å; R1371-E1389 PolarHBondContact NH2-OE2 2.83Å; A1384-E1389 HydrophobicContact CB-CB 4Å; A1384-E1389 HydrophobicContact CB-CG 4.47Å; A1384-E1389 PolarHBondContact O-N 3.03Å; H1387-E1389 VanDerWaalsContact C-N 3.31Å; H1387-E1389 HydrophobicContact CB-CG 4.16Å; H1387-E1389 PolarHBondContact O-N 3.01Å
1390N89Confident90.5Very high144 Ų14437.9 Ų37.977%0.7720%0.204SC*.  trans-73135.8175-69.1-29.2000111.6A1388A1388-N1390 PolarHBondContact O-N 3.29Å; A1388-N1390 VanDerWaalsContact O-N 3.12Å
1391D90.8Very high90.5Very high37 Ų3738.5 Ų38.520%0.19821%0.207CC..  trans-98.4128.4175.5-160.8-60.8000110.2G1367 P1368 L1369 L1393G1367-D1391 VanDerWaalsContact C-OD2 3.24Å; G1367-D1391 VanDerWaalsContact CA-OD2 3.24Å; G1367-D1391 WeakPolarHBondContact CA-OD2 3.13Å; P1368-D1391 WeakPolarHBondContact CD-OD2 3.28Å; P1368-D1391 HydrophobicContact CG-CB 4.03Å; P1368-D1391 VanDerWaalsContact N-OD2 3.14Å; L1369-D1391 VanDerWaalsContact CB-OD2 3.28Å; L1369-D1391 WeakPolarHBondContact CB-OD2 3.19Å; L1369-D1391 HydrophobicContact CD1-CB 4.41Å; L1369-D1391 WeakPolarHBondContact CG-OD2 3.04Å; L1369-D1391 PolarHBondContact N-OD2 3.28Å; D1391-L1393 PolarHBondContact OD1-N 2.93Å; D1391-L1393 VanDerWaalsContact OD1-N 3.08Å
1392P89.5Confident90.5Very high52 Ų5240.1 Ų40.134%0.33822%0.216SC..  trans-84.3-5.3-175.734.9-36.6000114.4M824 R1394M824-P1392 HydrophobicContact SD-CG 3.82Å; P1392-R1394 VanDerWaalsContact C-N 3.29Å; P1392-R1394 HydrophobicContact CB-CG 4.29Å; P1392-R1394 PolarHBondContact O-N 2.86Å
1393L90.2Very high90.4Very high61 Ų6140.3 Ų40.332%0.31922%0.224SC..SBendtrans54.638.9-179.1-53.2-179.1000114L1369 D1391 E1398 N1399 L1402L1369-L1393 HydrophobicContact CD1-CD2 3.95Å; D1391-L1393 PolarHBondContact OD1-N 2.93Å; D1391-L1393 VanDerWaalsContact OD1-N 3.08Å; L1393-E1398 VanDerWaalsContact CA-OE2 3.23Å; L1393-E1398 WeakPolarHBondContact CA-OE2 3.42Å; L1393-E1398 HydrophobicContact CD2-CB 4.13Å; L1393-E1398 PolarHBondContact N-OE2 3.05Å; L1393-N1399 PolarHBondContact O-ND2 2.83Å; L1393-L1402 HydrophobicContact CD1-CD1 3.67Å; L1393-L1402 HydrophobicContact CD2-CD1 3.65Å; L1393-L1402 HydrophobicContact CG-CD1 4.27Å
1394R88.9Confident90.4Very high157 Ų15743 Ų4359%0.59224%0.236SC*.  trans-106.4-12.6179.2-67.5-177.4-177.7-167.3-1.5113.5S823 P1392 E1398S823-R1394 WeakPolarHBondContact O-CB 3.35Å; S823-R1394 VanDerWaalsContact O-CD 3.3Å; S823-R1394 WeakPolarHBondContact O-CD 2.92Å; P1392-R1394 VanDerWaalsContact C-N 3.29Å; P1392-R1394 HydrophobicContact CB-CG 4.29Å; P1392-R1394 PolarHBondContact O-N 2.86Å; R1394-E1398 PolarHBondContact N-OE2 3.06Å
1395G86.4Confident90.3Very high1 Ų148.3 Ų48.31%0.0126%0.263CS..SBendtrans-82.9153.3176.100000112.7E1398 N1399G1395-E1398 WeakPolarHBondContact CA-OE2 3.3Å; G1395-E1398 PolarHBondContact N-OE2 2.88Å; G1395-E1398 PolarHBondContact O-N 2.86Å; G1395-N1399 PolarHBondContact O-N 2.98Å; G1395-N1399 PolarHBondContact O-ND2 3.15Å
1396V90.5Very high90.2Very high29 Ų2946.1 Ų46.118%0.17625%0.245CC..Hα-helixtrans-62-49.5179.7-179.40000111.1E810 M1027 E1398 N1399 V1400 A1406 M1408E810-V1396 VanDerWaalsContact O-CG2 3.31Å; E810-V1396 WeakPolarHBondContact O-CG2 3.27Å; M1027-V1396 HydrophobicContact CE-CG2 3.96Å; V1396-E1398 VanDerWaalsContact C-N 3.27Å; V1396-E1398 PolarHBondContact O-N 3.01Å; V1396-N1399 PolarHBondContact O-N 2.74Å; V1396-V1400 HydrophobicContact CG1-CG2 4.2Å; V1396-V1400 WeakPolarHBondContact O-CB 3.12Å; V1396-V1400 VanDerWaalsContact O-CG2 3.26Å; V1396-V1400 WeakPolarHBondContact O-CG2 3.32Å; V1396-V1400 PolarHBondContact O-N 2.77Å; V1396-A1406 HydrophobicContact CG1-CB 4.43Å; V1396-M1408 HydrophobicContact CG1-SD 3.89Å; V1396-M1408 HydrophobicContact CG2-SD 3.83Å
1397S90.8Very high90Very high2 Ų251.9 Ų51.91%0.01427%0.27CS..Hα-helixtrans-61.6-32.5178.7-71.70000114.2M321 K807 E810 M1401M321-S1397 WeakPolarHBondContact CE-OG 3.17Å; K807-S1397 PolarHBondContact NZ-OG 3.14Å; E810-S1397 WeakPolarHBondContact OE1-CB 3.12Å; E810-S1397 PolarHBondContact OE1-OG 2.92Å; S1397-M1401 VanDerWaalsContact O-CG 3.31Å; S1397-M1401 WeakPolarHBondContact O-CG 3.45Å; S1397-M1401 PolarHBondContact O-N 2.93Å
1398E92.2Very high89.9Confident0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-64.8-51-178.9-55.3166.5-177.100109.1G1367 L1369 M1370 L1393 R1394 G1395 V1396 M1401 L1402G1367-E1398 WeakPolarHBondContact CA-OE1 3.47Å; L1369-E1398 HydrophobicContact CB-CG 4.11Å; M1370-E1398 HydrophobicContact CB-CG 3.89Å; M1370-E1398 VanDerWaalsContact CB-OE1 3.24Å; M1370-E1398 WeakPolarHBondContact CB-OE1 3.43Å; L1393-E1398 VanDerWaalsContact CA-OE2 3.23Å; L1393-E1398 WeakPolarHBondContact CA-OE2 3.42Å; L1393-E1398 HydrophobicContact CD2-CB 4.13Å; L1393-E1398 PolarHBondContact N-OE2 3.05Å; R1394-E1398 PolarHBondContact N-OE2 3.06Å; G1395-E1398 WeakPolarHBondContact CA-OE2 3.3Å; G1395-E1398 PolarHBondContact N-OE2 2.88Å; G1395-E1398 PolarHBondContact O-N 2.86Å; V1396-E1398 VanDerWaalsContact C-N 3.27Å; V1396-E1398 PolarHBondContact O-N 3.01Å; E1398-M1401 PolarHBondContact O-N 3.23Å; E1398-L1402 WeakPolarHBondContact O-CG 3.47Å; E1398-L1402 PolarHBondContact O-N 3.37Å
1399N92.4Very high89.7Confident6 Ų652.3 Ų52.33%0.03227%0.268CS..Hα-helixtrans-66.3-40.9176.8-72.8-85.7000112.5L1393 G1395 V1396 M1401 L1402 G1403 Q1404 A1406L1393-N1399 PolarHBondContact O-ND2 2.83Å; G1395-N1399 PolarHBondContact O-N 2.98Å; G1395-N1399 PolarHBondContact O-ND2 3.15Å; V1396-N1399 PolarHBondContact O-N 2.74Å; N1399-M1401 PolarHBondContact O-N 2.99Å; N1399-L1402 CarbonylContact O-C 3.01Å; N1399-L1402 PolarHBondContact O-N 3.17Å; N1399-L1402 VanDerWaalsContact O-N 3.16Å; N1399-G1403 PolarHBondContact O-N 3Å; N1399-Q1404 HydrophobicContact CB-CB 4.31Å; N1399-Q1404 PolarHBondContact O-N 2.75Å; N1399-A1406 HydrophobicContact CB-CB 3.9Å
1400V91.1Very high89.7Confident22 Ų2252.4 Ų52.413%0.13327%0.271CS..Hα-helixtrans-62.1-39176.7169.30000112.1M321 V1396 L1402 G1403 P1662M321-V1400 HydrophobicContact CE-CG1 4.19Å; M321-V1400 HydrophobicContact SD-CG1 4.33Å; V1396-V1400 HydrophobicContact CG1-CG2 4.2Å; V1396-V1400 WeakPolarHBondContact O-CB 3.12Å; V1396-V1400 VanDerWaalsContact O-CG2 3.26Å; V1396-V1400 WeakPolarHBondContact O-CG2 3.32Å; V1396-V1400 PolarHBondContact O-N 2.77Å; V1400-L1402 VanDerWaalsContact C-N 3.32Å; V1400-L1402 PolarHBondContact O-N 3.41Å; V1400-G1403 PolarHBondContact O-N 2.9Å; V1400-P1662 HydrophobicContact CG2-CB 4.34Å
1401M91Very high89.7Confident24 Ų2445.8 Ų45.812%0.11824%0.238CC..Hα-helixtrans-67.6-30.5175.3-73.8-168.8-144.400113.3I316 L320 M321 L1369 S1397 E1398 N1399I316-M1401 HydrophobicContact CG2-CE 3.76Å; I316-M1401 HydrophobicContact CG2-SD 3.99Å; L320-M1401 HydrophobicContact CB-CG 4.07Å; L320-M1401 HydrophobicContact CD1-CB 4.29Å; L320-M1401 HydrophobicContact CD1-CG 4.18Å; L320-M1401 HydrophobicContact CD1-SD 4.24Å; M321-M1401 HydrophobicContact CG-CE 4.15Å; M321-M1401 HydrophobicContact CG-CG 4.5Å; M321-M1401 HydrophobicContact SD-CE 3.7Å; M321-M1401 HydrophobicContact SD-CG 3.77Å; L1369-M1401 VanDerWaalsContact O-CE 3.29Å; L1369-M1401 WeakPolarHBondContact O-CE 3.4Å; S1397-M1401 VanDerWaalsContact O-CG 3.31Å; S1397-M1401 WeakPolarHBondContact O-CG 3.45Å; S1397-M1401 PolarHBondContact O-N 2.93Å; E1398-M1401 PolarHBondContact O-N 3.23Å; N1399-M1401 PolarHBondContact O-N 2.99Å
1402L92.4Very high89.6Confident90 Ų9045.7 Ų45.747%0.47124%0.239SC..Hα-helixtrans-87.8-10.7177.5-64.7179.5000113.7L1393 E1398 N1399 V1400 Q1404L1393-L1402 HydrophobicContact CD1-CD1 3.67Å; L1393-L1402 HydrophobicContact CD2-CD1 3.65Å; L1393-L1402 HydrophobicContact CG-CD1 4.27Å; E1398-L1402 WeakPolarHBondContact O-CG 3.47Å; E1398-L1402 PolarHBondContact O-N 3.37Å; N1399-L1402 CarbonylContact O-C 3.01Å; N1399-L1402 PolarHBondContact O-N 3.17Å; N1399-L1402 VanDerWaalsContact O-N 3.16Å; V1400-L1402 VanDerWaalsContact C-N 3.32Å; V1400-L1402 PolarHBondContact O-N 3.41Å; L1402-Q1404 VanDerWaalsContact C-N 3.31Å; L1402-Q1404 HydrophobicContact CB-CG 4.07Å
1403G89.1Confident89.7Confident30 Ų3044.4 Ų44.431%0.30923%0.229SC..THydrogen-bonded Turntrans73.121.1-174.500000114.1N1399 V1400 P1665N1399-G1403 PolarHBondContact O-N 3Å; V1400-G1403 PolarHBondContact O-N 2.9Å; G1403-P1665 WeakPolarHBondContact O-CD 3.43Å; G1403-P1665 WeakPolarHBondContact O-CG 3.48Å
1404Q89.4Confident89.6Confident103 Ų10345.5 Ų45.548%0.48124%0.235SC..PPolyproline II helixtrans-89.7156178.5-68.4176.1-27.800111N1399 L1402 A1406N1399-Q1404 HydrophobicContact CB-CB 4.31Å; N1399-Q1404 PolarHBondContact O-N 2.75Å; L1402-Q1404 VanDerWaalsContact C-N 3.31Å; L1402-Q1404 HydrophobicContact CB-CG 4.07Å; Q1404-A1406 PolarHBondContact O-N 3.13Å
1405L89.3Confident89.6Confident121 Ų12143.5 Ų43.563%0.63424%0.235SC*.PPolyproline II helixtrans-64.5116.6171.4-176.364.2000108.8
1406A88.9Confident89.8Confident8 Ų846.7 Ų46.77%0.06625%0.252CS..PPolyproline II helixtrans-71.7141.6-178.900000110.8V1396 N1399 Q1404 M1408V1396-A1406 HydrophobicContact CG1-CB 4.43Å; N1399-A1406 HydrophobicContact CB-CB 3.9Å; Q1404-A1406 PolarHBondContact O-N 3.13Å; A1406-M1408 HydrophobicContact CB-CE 4.34Å; A1406-M1408 HydrophobicContact CB-CG 4.04Å; A1406-M1408 HydrophobicContact CB-SD 4.18Å; A1406-M1408 PolarHBondContact O-N 3.12Å
1407K87.6Confident89.8Confident124 Ų12451.3 Ų51.354%0.53928%0.275SS..SBendtrans-77.666.5-176.5-60.7-158.2173-146.80113.1G1411K1407-G1411 WeakPolarHBondContact CA-O 3.41Å
1408M88.1Confident89.8Confident42 Ų4253.8 Ų53.821%0.20729%0.288CS..SBendtrans-142.6139.5-177.657.3-178.6-157.500110.3M1027 V1396 A1406 T1410 G1411 S1412 F1653M1027-M1408 HydrophobicContact CE-CB 4.42Å; M1027-M1408 HydrophobicContact CG-CB 3.89Å; M1027-M1408 HydrophobicContact CG-SD 4.34Å; M1027-M1408 HydrophobicContact SD-CB 3.36Å; M1027-M1408 WeakPolarHBondContact SD-CB 3.36Å; M1027-M1408 HydrophobicContact SD-CG 4.49Å; V1396-M1408 HydrophobicContact CG1-SD 3.89Å; V1396-M1408 HydrophobicContact CG2-SD 3.83Å; A1406-M1408 HydrophobicContact CB-CE 4.34Å; A1406-M1408 HydrophobicContact CB-CG 4.04Å; A1406-M1408 HydrophobicContact CB-SD 4.18Å; A1406-M1408 PolarHBondContact O-N 3.12Å; M1408-T1410 PolarHBondContact O-N 3.1Å; M1408-T1410 VanDerWaalsContact O-N 3.07Å; M1408-G1411 PolarHBondContact O-N 3.2Å; M1408-S1412 PolarHBondContact O-N 3.38Å; M1408-F1653 HydrophobicContact CB-CZ 4.42Å; M1408-F1653 HydrophobicContact CG-CZ 4.25Å
1409G86.9Confident89.7Confident0 Ų058.2 Ų58.20%032%0.315CS..G310 helixtrans44-111.6178.400000114.9G1025 G1411 S1412 F1413 S1652 F1653G1025-G1409 WeakPolarHBondContact O-CA 3.29Å; G1025-G1409 PolarHBondContact O-N 2.85Å; G1409-G1411 PolarHBondContact O-N 2.84Å; G1409-G1411 VanDerWaalsContact O-N 3.1Å; G1409-S1412 WeakPolarHBondContact O-CB 3.32Å; G1409-S1412 PolarHBondContact O-N 3.33Å; G1409-S1412 PolarHBondContact O-OG 3.22Å; G1409-F1413 WeakPolarHBondContact O-CD1 3.33Å; G1409-F1413 WeakPolarHBondContact O-CE1 3.11Å; G1409-S1652 CarbonylContact C-O 3.56Å; G1409-S1652 VanDerWaalsContact C-O 3.25Å; G1409-F1653 VanDerWaalsContact CA-CE1 3.48Å
1410T89.5Confident89.6Confident47 Ų4761.2 Ų61.229%0.28833%0.329SS..G310 helixtrans-57.3-19.6177.538.70000115.1E480 M1408 F1413 F1653E480-T1410 PolarHBondContact OE1-OG1 3.09Å; M1408-T1410 PolarHBondContact O-N 3.1Å; M1408-T1410 VanDerWaalsContact O-N 3.07Å; T1410-F1413 VanDerWaalsContact CA-CZ 3.47Å; T1410-F1413 HydrophobicContact CG2-CZ 4.48Å; T1410-F1413 VanDerWaalsContact O-CE2 3.25Å; T1410-F1413 WeakPolarHBondContact O-CE2 3.48Å; T1410-F1413 VanDerWaalsContact O-CZ 3.25Å; T1410-F1413 WeakPolarHBondContact O-CZ 3.44Å; T1410-F1653 HydrophobicContact CG2-CB 4.28Å; T1410-F1653 HydrophobicContact CG2-CD2 3.77Å; T1410-F1653 HydrophobicContact CG2-CG 4.49Å; T1410-F1653 WeakPolarHBondContact OG1-CD2 3.38Å; T1410-F1653 VanDerWaalsContact OG1-CE2 3.27Å; T1410-F1653 WeakPolarHBondContact OG1-CE2 3.43Å
1411G89.3Confident89.4Confident6 Ų663.8 Ų63.86%0.06234%0.338CS..G310 helixtrans-108.69.4170.900000114.8K1407 M1408 G1409K1407-G1411 WeakPolarHBondContact CA-O 3.41Å; M1408-G1411 PolarHBondContact O-N 3.2Å; G1409-G1411 PolarHBondContact O-N 2.84Å; G1409-G1411 VanDerWaalsContact O-N 3.1Å
1412S88.3Confident89.1Confident34 Ų3465.8 Ų65.824%0.23835%0.354CS..SBendtrans-79.9-6.2174.970.40000113.6M1408 G1409M1408-S1412 PolarHBondContact O-N 3.38Å; G1409-S1412 WeakPolarHBondContact O-CB 3.32Å; G1409-S1412 PolarHBondContact O-N 3.33Å; G1409-S1412 PolarHBondContact O-OG 3.22Å
1413F90.5Very high88.7Confident26 Ų2665 Ų6511%0.11435%0.347CS..SBendtrans-135.7169.7174.955.5-99000108.7Y816 G1409 T1410 S1650 P1651Y816-F1413 VanDerWaalsContact OH-CD1 3.23Å; Y816-F1413 WeakPolarHBondContact OH-CD1 3.39Å; G1409-F1413 WeakPolarHBondContact O-CD1 3.33Å; G1409-F1413 WeakPolarHBondContact O-CE1 3.11Å; T1410-F1413 VanDerWaalsContact CA-CZ 3.47Å; T1410-F1413 HydrophobicContact CG2-CZ 4.48Å; T1410-F1413 VanDerWaalsContact O-CE2 3.25Å; T1410-F1413 WeakPolarHBondContact O-CE2 3.48Å; T1410-F1413 VanDerWaalsContact O-CZ 3.25Å; T1410-F1413 WeakPolarHBondContact O-CZ 3.44Å; F1413-S1650 VanDerWaalsContact CD2-CA 3.44Å; F1413-P1651 VanDerWaalsContact CZ-CA 3.44Å; F1413-P1651 HydrophobicContact CZ-CB 4.38Å
1414D89.9Confident88.3Confident84 Ų8468.5 Ų68.545%0.44936%0.358SS..  trans-111.6-170.1172.6-49.3-74.5000110.5P1648 S1649 S1650D1414-P1648 CarbonylContact C-O 3.58Å; D1414-P1648 WeakPolarHBondContact OD2-CD 3.38Å; D1414-S1649 CarbonylContact O-C 3.59Å; D1414-S1649 WeakPolarHBondContact O-CA 3.5Å; D1414-S1650 PolarHBondContact O-N 2.94Å; D1414-S1650 VanDerWaalsContact O-N 3.13Å
1415L88.5Confident87.5Confident115 Ų11566.3 Ų66.360%0.60236%0.363SS*.  trans-126.1124.2180-91.7164.1000113.5P1648 S1650L1415-P1648 CarbonylContact C-O 3.48Å; L1415-P1648 WeakPolarHBondContact CA-O 3.3Å; L1415-P1648 PolarHBondContact N-O 2.81Å; L1415-S1650 VanDerWaalsContact CD2-CB 3.5Å; L1415-S1650 VanDerWaalsContact CD2-OG 3.3Å; L1415-S1650 WeakPolarHBondContact CD2-OG 3.29Å
1416L90.2Very high86.8Confident67 Ų6767 Ų6735%0.35137%0.365SS..  trans-105148.8170-49.9-164.5000113.9Q1647 P1648 S1649L1416-Q1647 HydrophobicContact CD1-CB 4.39Å; L1416-Q1647 HydrophobicContact CD2-CB 3.26Å; L1416-Q1647 HydrophobicContact CD2-CG 3.28Å; L1416-Q1647 HydrophobicContact CG-CB 4.46Å; L1416-P1648 WeakPolarHBondContact CD2-O 3.19Å; L1416-P1648 VanDerWaalsContact CG-C 3.43Å; L1416-P1648 VanDerWaalsContact CG-O 3.32Å; L1416-P1648 WeakPolarHBondContact CG-O 3.1Å; L1416-P1648 PolarHBondContact N-O 3.36Å; L1416-S1649 WeakPolarHBondContact CB-OG 3.49Å; L1416-S1649 VanDerWaalsContact CG-OG 3.27Å; L1416-S1649 WeakPolarHBondContact CG-OG 3.39Å; L1416-S1649 PolarHBondContact N-OG 3.05Å
1417L89.7Confident85.9Confident126 Ų12674.2 Ų74.266%0.6640%0.397SS*.  trans-83.2111.8160.1-163.270.8000109.3T1419 C1422L1417-T1419 PolarHBondContact O-N 2.79Å; L1417-C1422 WeakPolarHBondContact CD1-SG 2.81Å; L1417-C1422 WeakPolarHBondContact CG-SG 3.39Å
1418D91.3Very high85Confident55 Ų5572.8 Ų72.829%0.29439%0.394SS..  trans-69.1100.2164.4177.8-17.6000107.2E1420 K1421 C1422 Y1588D1418-E1420 PolarHBondContact O-N 2.77Å; D1418-E1420 WeakPolarHBondContact OD1-CA 3.14Å; D1418-E1420 VanDerWaalsContact OD1-CB 3.31Å; D1418-E1420 WeakPolarHBondContact OD1-CB 3.48Å; D1418-E1420 PolarHBondContact OD1-N 2.8Å; D1418-K1421 HydrophobicContact CB-CB 3.82Å; D1418-K1421 HydrophobicContact CB-CG 4.11Å; D1418-K1421 WeakPolarHBondContact O-CA 3.43Å; D1418-K1421 WeakPolarHBondContact O-CB 3.44Å; D1418-K1421 PolarHBondContact O-N 2.84Å; D1418-K1421 PolarHBondContact OD1-N 2.93Å; D1418-K1421 WeakPolarHBondContact OD2-CG 3.38Å; D1418-C1422 PolarHBondContact O-N 3.14Å; D1418-C1422 VanDerWaalsContact O-N 3.17Å; D1418-C1422 PolarHBondContact O-SG 3.19Å; D1418-Y1588 PolarHBondContact OD2-OH 3.5Å; D1418-Y1588 VanDerWaalsContact OD2-OH 3.06Å
1419T89.8Confident83.4Confident93 Ų9374.7 Ų74.757%0.57141%0.41SS*.Hα-helixtrans-64.9-30.5-179.149.90000111.9L1417 K1421 K1423L1417-T1419 PolarHBondContact O-N 2.79Å; T1419-K1421 VanDerWaalsContact C-N 3.25Å; T1419-K1421 PolarHBondContact O-N 3.21Å; T1419-K1423 WeakPolarHBondContact O-CD 3.46Å; T1419-K1423 VanDerWaalsContact O-CG 3.27Å; T1419-K1423 WeakPolarHBondContact O-CG 3.41Å
1420E90Very high81.7Confident69 Ų6976.4 Ų76.432%0.32242%0.423SS..Hα-helixtrans-65.2-32.3170.6-69.2-59127.400110.2D1418 K1423 T1627 S1628D1418-E1420 PolarHBondContact O-N 2.77Å; D1418-E1420 WeakPolarHBondContact OD1-CA 3.14Å; D1418-E1420 VanDerWaalsContact OD1-CB 3.31Å; D1418-E1420 WeakPolarHBondContact OD1-CB 3.48Å; D1418-E1420 PolarHBondContact OD1-N 2.8Å; E1420-K1423 VanDerWaalsContact CD-NZ 3.27Å; E1420-K1423 WeakPolarHBondContact O-CB 3.46Å; E1420-K1423 IonicContact OE1-NZ 2.78Å; E1420-K1423 PolarHBondContact OE1-NZ 3.16Å; E1420-K1423 IonicContact OE2-NZ 3.3Å; E1420-K1423 PolarHBondContact OE2-NZ 2.67Å; E1420-K1423 VanDerWaalsContact OE2-NZ 3.16Å; E1420-T1627 VanDerWaalsContact C-CB 3.48Å; E1420-T1627 HydrophobicContact CB-CG2 3.42Å; E1420-T1627 VanDerWaalsContact CB-CG2 3.42Å; E1420-T1627 CarbonylContact O-C 3.53Å; E1420-T1627 WeakPolarHBondContact O-CB 3.38Å; E1420-T1627 WeakPolarHBondContact O-CG2 3.35Å; E1420-S1628 WeakPolarHBondContact O-CA 3.37Å; E1420-S1628 PolarHBondContact O-N 3.35Å; E1420-S1628 WeakPolarHBondContact OE2-CB 3.23Å; E1420-S1628 PolarHBondContact OE2-OG 3Å
1421K88.6Confident79.7Confident75 Ų7581.9 Ų81.933%0.32645%0.451SS..Hα-helixtrans-77.2-48.4-177.9-97.3-68.5-174.5177.70113.9D1418 T1419 K1423 L1424 S1625 P1626 T1627D1418-K1421 HydrophobicContact CB-CB 3.82Å; D1418-K1421 HydrophobicContact CB-CG 4.11Å; D1418-K1421 WeakPolarHBondContact O-CA 3.43Å; D1418-K1421 WeakPolarHBondContact O-CB 3.44Å; D1418-K1421 PolarHBondContact O-N 2.84Å; D1418-K1421 PolarHBondContact OD1-N 2.93Å; D1418-K1421 WeakPolarHBondContact OD2-CG 3.38Å; T1419-K1421 VanDerWaalsContact C-N 3.25Å; T1419-K1421 PolarHBondContact O-N 3.21Å; K1421-K1423 PolarHBondContact O-N 3.06Å; K1421-K1423 VanDerWaalsContact O-N 3.16Å; K1421-L1424 PolarHBondContact O-N 3.34Å; K1421-S1625 WeakPolarHBondContact CE-OG 3.42Å; K1421-S1625 PolarHBondContact NZ-OG 2.85Å; K1421-P1626 WeakPolarHBondContact CD-O 3.44Å; K1421-P1626 WeakPolarHBondContact CE-O 3.31Å; K1421-P1626 PolarHBondContact NZ-O 3.26Å; K1421-T1627 HydrophobicContact CB-CG2 4.29Å; K1421-T1627 HydrophobicContact CD-CG2 4.15Å; K1421-T1627 HydrophobicContact CG-CG2 3.76Å
1422C83Confident77.7Confident67 Ų6785.8 Ų85.845%0.45347%0.47SS..Hα-helixtrans-52.8-41.7-174-59.20000112.2L1417 D1418 L1424 G1425L1417-C1422 WeakPolarHBondContact CD1-SG 2.81Å; L1417-C1422 WeakPolarHBondContact CG-SG 3.39Å; D1418-C1422 PolarHBondContact O-N 3.14Å; D1418-C1422 VanDerWaalsContact O-N 3.17Å; D1418-C1422 PolarHBondContact O-SG 3.19Å; C1422-L1424 PolarHBondContact O-N 2.89Å; C1422-L1424 VanDerWaalsContact O-N 3.08Å; C1422-G1425 PolarHBondContact O-N 2.8Å
1423K84.6Confident75.3Confident72 Ų7293 Ų9331%0.31350%0.502SS..THydrogen-bonded Turntrans-43.3-26.2172.7-99.2-171.3-178.6-174.80116.5T1419 E1420 K1421 S1628 P1629 C1630T1419-K1423 WeakPolarHBondContact O-CD 3.46Å; T1419-K1423 VanDerWaalsContact O-CG 3.27Å; T1419-K1423 WeakPolarHBondContact O-CG 3.41Å; E1420-K1423 VanDerWaalsContact CD-NZ 3.27Å; E1420-K1423 WeakPolarHBondContact O-CB 3.46Å; E1420-K1423 IonicContact OE1-NZ 2.78Å; E1420-K1423 PolarHBondContact OE1-NZ 3.16Å; E1420-K1423 IonicContact OE2-NZ 3.3Å; E1420-K1423 PolarHBondContact OE2-NZ 2.67Å; E1420-K1423 VanDerWaalsContact OE2-NZ 3.16Å; K1421-K1423 PolarHBondContact O-N 3.06Å; K1421-K1423 VanDerWaalsContact O-N 3.16Å; K1423-S1628 CarbonylContact C-O 3.57Å; K1423-S1628 WeakPolarHBondContact CD-OG 3.41Å; K1423-S1628 PolarHBondContact NZ-OG 3.36Å; K1423-S1628 VanDerWaalsContact NZ-OG 3.15Å; K1423-S1628 VanDerWaalsContact O-O 3.05Å; K1423-P1629 VanDerWaalsContact CB-CA 3.5Å; K1423-P1629 HydrophobicContact CB-CB 4.26Å; K1423-P1629 HydrophobicContact CD-CB 3.52Å; K1423-P1629 HydrophobicContact CD-CG 3.97Å; K1423-P1629 HydrophobicContact CG-CB 3.77Å; K1423-P1629 CarbonylContact O-C 3.55Å; K1423-P1629 VanDerWaalsContact O-CA 3.25Å; K1423-P1629 WeakPolarHBondContact O-CA 3.42Å; K1423-C1630 PolarHBondContact O-N 3.05Å
1424L81.8Confident72.9Confident105 Ų10595.8 Ų95.855%0.5554%0.537SS..THydrogen-bonded Turntrans-79.2-15.7175.2-79.4169.9000114K1421 C1422 P1626 S1628K1421-L1424 PolarHBondContact O-N 3.34Å; C1422-L1424 PolarHBondContact O-N 2.89Å; C1422-L1424 VanDerWaalsContact O-N 3.08Å; L1424-P1626 WeakPolarHBondContact CD1-O 3.32Å; L1424-S1628 VanDerWaalsContact CA-O 3.26Å; L1424-S1628 WeakPolarHBondContact CA-O 3.45Å; L1424-S1628 VanDerWaalsContact CD2-O 3.25Å; L1424-S1628 WeakPolarHBondContact CD2-O 3.26Å; L1424-S1628 WeakPolarHBondContact CG-O 3.36Å; L1424-S1628 PolarHBondContact N-O 3.17Å; L1424-S1628 VanDerWaalsContact N-O 3.15Å
1425G71.5Confident70.4Confident56 Ų5696.3 Ų96.358%0.57755%0.548SS*.  trans-78.3148.8-171.500000113.5C1422C1422-G1425 PolarHBondContact O-N 2.8Å
1426M74.1Confident67.8Low137 Ų137100.6 Ų100.668%0.67556%0.562SS**  trans-129.7144.9165.762.8-172.8-70.300109.4S1463M1426-S1463 WeakPolarHBondContact CE-O 3.4Å
1427E70.5Confident65Low159 Ų159100.5 Ų100.574%0.74358%0.577SS**  trans-80.7146.9176.8-171.4174.3-171.800111.1
1428I68.8Low62.1Low94 Ų94100.8 Ų100.848%0.48258%0.584SS.*  trans-117.3106.4-179.9-57.1177.2000109.1
1429P55.5Low59.1Low82 Ų82103 Ų10353%0.53260%0.603SS.*  trans-68.4133.9178.7-21.634.1000113.1
1430A51Low56.2Low35 Ų3599.6 Ų99.629%0.28959%0.587SS.*  trans-80.9-16.1-169.600000116.3P362 I1432P362-A1430 HydrophobicContact CB-CB 3.8Å; P362-A1430 WeakPolarHBondContact O-CB 3.42Å; A1430-I1432 PolarHBondContact O-N 3.41Å
1431N47.1Very low53.4Low162 Ų162106.1 Ų106.187%0.86662%0.615SS**THydrogen-bonded Turntrans-61.34.2-163.7-85.318.8000118
1432I46.1Very low50.7Low89 Ų89109.8 Ų109.846%0.45664%0.635SS.*THydrogen-bonded Turntrans-116.7-22.4-166.9-60.1-179.4000113.5A1430 G1434A1430-I1432 PolarHBondContact O-N 3.41Å; I1432-G1434 VanDerWaalsContact C-N 3.26Å; I1432-G1434 PolarHBondContact O-N 3.04Å
1433M39.4Very low48.2Very low186 Ų186114.3 Ų114.392%0.91665%0.651SS**THydrogen-bonded Turntrans-70.7-15.2-178.4-75.3-170.276.400114.8
1434G38.9Very low45.7Very low83 Ų83116.8 Ų116.886%0.85668%0.675SS**THydrogen-bonded Turntrans-83.5-8.9-17600000116.3I1432I1432-G1434 VanDerWaalsContact C-N 3.26Å; I1432-G1434 PolarHBondContact O-N 3.04Å
1435S38.5Very low43.3Very low96 Ų96115.2 Ų115.267%0.67168%0.684SS**SBendtrans-100.4-1.8-163.2-165.60000116.5
1436F34.2Very low41.3Very low204 Ų204118.8 Ų118.890%0.89569%0.694SS**  trans-129.4122.5177.7-83-84.8000110.8
1437G30.2Very low39.1Very low65 Ų65120 Ų12067%0.6770%0.7SS**  trans-145.5156.4177.700000113.7
1438V29.6Very low37.5Very low133 Ų133116 Ų11681%0.80669%0.687SS**  trans81.7136.6164.3-165.80000117.1
1439S28.3Very low35.8Very low100 Ų100117.2 Ų117.270%0.69970%0.701SS**  trans77.8102.1168.5-1570000117.2S1605S1439-S1605 VanDerWaalsContact C-CB 3.47Å
1440G28.8Very low34.7Very low23 Ų23118.5 Ų118.524%0.23771%0.712CS.*  trans-100.7-168.2177.500000115.4S1605 S1606G1440-S1605 WeakPolarHBondContact CA-O 3.42Å; G1440-S1606 PolarHBondContact N-O 3.22Å
1441F31.3Very low33.8Very low205 Ų205121.3 Ų121.390%0.89974%0.735SS**  trans-158.3151158.1-127.5-92.8000110
1442M32.1Very low32.9Very low152 Ų152117.9 Ų117.975%0.74973%0.729SS**  trans-90.9171.4169.8-54-171.8-163.800109.5
1443M30.5Very low32.3Very low162 Ų162119.9 Ų119.980%0.79875%0.748SS**  cis-150.4164.228.6-84.2-70.8-173.600111
1444P31.2Very low31.8Very low125 Ų125117.6 Ų117.681%0.81274%0.744SS**  trans-92.9135.3178.235-32.3000114.4
1445G32.5Very low31.9Very low71 Ų71118.4 Ų118.473%0.73274%0.737SS**  trans162.1145.1162.500000116.8
1446V28.8Very low31.8Very low131 Ų131119.4 Ų119.479%0.79474%0.741SS**  trans77.7113.7161.4-169.10000118.8
1447M29Very low31.8Very low163 Ų163117.3 Ų117.380%0.80374%0.738SS**  trans72.2128.3153.8-71.7173.1175.500122.5
1448T36.8Very low32Very low74 Ų74118.3 Ų118.345%0.45474%0.739SS.*  trans-73.7142.8158.4410000113.1T1598 S1599T1448-T1598 HydrophobicContact CG2-CG2 3.67Å; T1448-S1599 VanDerWaalsContact CG2-N 3.33Å; T1448-S1599 WeakPolarHBondContact CG2-O 3.32Å
1449P32.3Very low32.2Very low120 Ų120118.5 Ų118.578%0.77974%0.741SS**  trans-110.6165144.16.514.8000111.8
1450S31.8Very low32.5Very low110 Ų110119.4 Ų119.477%0.76974%0.744SS**  trans-109.7160.7179.7-169.10000112.6
1451A31.6Very low32.9Very low93 Ų93129.4 Ų129.477%0.76978%0.775SS**  trans54.7105.8156.400000120.4
1452A28.9Very low33.4Very low91 Ų91122.8 Ų122.875%0.75275%0.749SS**  trans-161125.5132.900000110.6
1453P33.5Very low34.2Very low131 Ų131119.9 Ų119.985%0.85174%0.744SS**  trans-94.8113.8173.833.6-28.7000111.4
1454V30.2Very low35.3Very low137 Ų137113.1 Ų113.183%0.8372%0.715SS**  trans-133.9109.7167.2-175.90000108.7
1455S39.2Very low36.4Very low101 Ų101112 Ų11271%0.70671%0.706SS**  trans-80158167.358.90000109.8
1456P37.9Very low37.8Very low116 Ų116113.3 Ų113.375%0.75370%0.7SS**  -145.1145.390.935.6-19000116.2
1457I33.4Very low39.3Very low161 Ų161110.5 Ų110.583%0.82668%0.684SS**  18.3139.3124.5-63.3166.9000118.6
1458A34.7Very low40.8Very low85 Ų85106.6 Ų106.670%0.70267%0.673SS**  trans101.479160.600000119.2
1459T34.3Very low42.2Very low138 Ų138110.9 Ų110.985%0.84768%0.682SS**  -168114.6128.810.90000111.3W1461T1459-W1461 PolarHBondContact O-N 3.48Å
1460P33.7Very low43.1Very low118 Ų118111.5 Ų111.577%0.76669%0.686SS**  trans-94.341.5-171.137.3-36000114.6
1461W36.8Very low44.5Very low234 Ų234109.7 Ų109.789%0.88669%0.685SS**  trans-143.541.1-168.2-81.397.3000115.9T1459T1459-W1461 PolarHBondContact O-N 3.48Å
1462N42.8Very low45.9Very low66 Ų66107.8 Ų107.835%0.35367%0.674SS.*  trans-15275.7169-154.2-11.3000115.2T1466N1462-T1466 PolarHBondContact O-OG1 2.95Å
1463S48.8Very low47.8Very low91 Ų91110.5 Ų110.564%0.63667%0.665SS**THydrogen-bonded Turntrans-74.4-19.6-178.647.20000115.2M1426M1426-S1463 WeakPolarHBondContact CE-O 3.4Å
1464G53.7Low49.5Very low19 Ų19106.8 Ų106.820%0.19664%0.642CS.*THydrogen-bonded Turntrans-86.7-21.1-17400000115.7
1465V53.9Low51.3Low103 Ų103102.4 Ų102.462%0.62462%0.616SS**THydrogen-bonded Turntrans-110.1-15.1-175.6-170.40000112.2P1467V1465-P1467 WeakPolarHBondContact O-CD 3.46Å
1466T61.1Low52.6Low98 Ų98102 Ų10260%0.60161%0.614SS**SBendtrans-83.1114.8-175.9-55.50000110.8N1462N1462-T1466 PolarHBondContact O-OG1 2.95Å
1467P60.5Low53.7Low72 Ų72103.6 Ų103.647%0.46861%0.609SS.*  trans-66.3142.1175.127.2-33.7000111.1V1465 Y1469 W1473V1465-P1467 WeakPolarHBondContact O-CD 3.46Å; P1467-Y1469 HydrophobicContact CB-CD2 4.1Å; P1467-Y1469 HydrophobicContact CB-CE2 3.9Å; P1467-Y1469 HydrophobicContact CG-CD2 3.96Å; P1467-Y1469 HydrophobicContact CG-CE2 3.82Å; P1467-Y1469 PolarHBondContact O-N 2.73Å; P1467-W1473 HydrophobicContact CB-CZ2 4.41Å
1468S61.7Low55Low80 Ų8099.9 Ų99.956%0.55960%0.597SS**  trans-71.185.7-171.4-175.10000113.7G1472 W1473S1468-G1472 WeakPolarHBondContact O-CA 3.27Å; S1468-G1472 PolarHBondContact O-N 2.87Å; S1468-G1472 VanDerWaalsContact O-N 3.15Å; S1468-W1473 VanDerWaalsContact O-CD1 3.26Å
1469Y64.8Low56.4Low164 Ų16499.9 Ų99.964%0.64360%0.597SS**THydrogen-bonded Turntrans-116.8141.7170.4-67.5-78.6000111P1467 W1473P1467-Y1469 HydrophobicContact CB-CD2 4.1Å; P1467-Y1469 HydrophobicContact CB-CE2 3.9Å; P1467-Y1469 HydrophobicContact CG-CD2 3.96Å; P1467-Y1469 HydrophobicContact CG-CE2 3.82Å; P1467-Y1469 PolarHBondContact O-N 2.73Å; Y1469-W1473 AromaticContact CD1-CD1 3.64Å; Y1469-W1473 AromaticContact CD2-NE1 3.99Å; Y1469-W1473 AromaticContact CE1-CD1 3.3Å; Y1469-W1473 HydrophobicContact CE1-CG 4.01Å; Y1469-W1473 AromaticContact CE1-NE1 3.7Å; Y1469-W1473 AromaticContact CE2-CD1 3.99Å; Y1469-W1473 AromaticContact CE2-NE1 3.51Å; Y1469-W1473 AromaticContact CZ-CD1 3.5Å; Y1469-W1473 VanDerWaalsContact CZ-CD1 3.5Å; Y1469-W1473 AromaticContact CZ-NE1 3.34Å; Y1469-W1473 VanDerWaalsContact CZ-NE1 3.34Å
1470P51.7Low57.5Low133 Ų13398 Ų9886%0.86459%0.59SS**THydrogen-bonded Turncis-95.5124-9.134.2-26.9000111.5
1471G60.7Low59Low72 Ų72100.9 Ų100.974%0.74260%0.595SS**THydrogen-bonded Turntrans141.6-2517000000115.9W1473G1471-W1473 VanDerWaalsContact C-N 3.28Å; G1471-W1473 PolarHBondContact O-N 2.81Å
1472G62.6Low60.4Low53 Ų5394 Ų9455%0.54658%0.579SS.*SBendtrans-75.7-12.9178.800000114.9S1468S1468-G1472 WeakPolarHBondContact O-CA 3.27Å; S1468-G1472 PolarHBondContact O-N 2.87Å; S1468-G1472 VanDerWaalsContact O-N 3.15Å
1473W67.4Low61.1Low148 Ų14897.1 Ų97.156%0.56160%0.603SS**  trans-106.8131.2177.6-62.993.6000111.2P1467 S1468 Y1469 G1471P1467-W1473 HydrophobicContact CB-CZ2 4.41Å; S1468-W1473 VanDerWaalsContact O-CD1 3.26Å; Y1469-W1473 AromaticContact CD1-CD1 3.64Å; Y1469-W1473 AromaticContact CD2-NE1 3.99Å; Y1469-W1473 AromaticContact CE1-CD1 3.3Å; Y1469-W1473 HydrophobicContact CE1-CG 4.01Å; Y1469-W1473 AromaticContact CE1-NE1 3.7Å; Y1469-W1473 AromaticContact CE2-CD1 3.99Å; Y1469-W1473 AromaticContact CE2-NE1 3.51Å; Y1469-W1473 AromaticContact CZ-CD1 3.5Å; Y1469-W1473 VanDerWaalsContact CZ-CD1 3.5Å; Y1469-W1473 AromaticContact CZ-NE1 3.34Å; Y1469-W1473 VanDerWaalsContact CZ-NE1 3.34Å; G1471-W1473 VanDerWaalsContact C-N 3.28Å; G1471-W1473 PolarHBondContact O-N 2.81Å
1474S69.5Low61.3Low53 Ų5399.5 Ų99.537%0.37161%0.609SS.*  trans-76.9125.9150.852.10000109.7N1592S1474-N1592 WeakPolarHBondContact CB-ND2 3.38Å; S1474-N1592 VanDerWaalsContact OG-CG 3.32Å; S1474-N1592 PolarHBondContact OG-ND2 3.17Å; S1474-N1592 VanDerWaalsContact OG-ND2 3.1Å; S1474-N1592 PolarHBondContact OG-OD1 3.44Å
1475P67.2Low61.1Low45 Ų45105.5 Ų105.529%0.29264%0.641SS.*  trans-73.1179.9156.319.1-5.1000108.9P1593 A1594 Y1595P1475-P1593 CarbonylContact O-C 3.59Å; P1475-A1594 VanDerWaalsContact CB-O 3.27Å; P1475-A1594 WeakPolarHBondContact CB-O 3.21Å; P1475-A1594 VanDerWaalsContact CG-O 3.24Å; P1475-A1594 WeakPolarHBondContact CG-O 3.23Å; P1475-A1594 WeakPolarHBondContact O-CA 3.5Å; P1475-A1594 PolarHBondContact O-N 2.85Å; P1475-Y1595 HydrophobicContact CB-CD1 3.74Å; P1475-Y1595 HydrophobicContact CB-CE1 4.05Å; P1475-Y1595 HydrophobicContact CB-CG 4.05Å; P1475-Y1595 HydrophobicContact CG-CD1 4.38Å; P1475-Y1595 HydrophobicContact CG-CE1 4.37Å
1476S66.8Low61.1Low93 Ų93102.6 Ų102.665%0.6563%0.632SS**  trans-139.4107.4-17747.40000112.2S1478 Y1595 G1596S1476-S1478 PolarHBondContact O-N 3.4Å; S1476-Y1595 VanDerWaalsContact N-N 3.14Å; S1476-Y1595 CarbonylContact O-C 3.59Å; S1476-Y1595 WeakPolarHBondContact O-CA 3.49Å; S1476-Y1595 PolarHBondContact O-N 2.84Å; S1476-G1596 PolarHBondContact O-N 2.75Å
1477F62.1Low60.6Low149 Ų149102.9 Ų102.965%0.65464%0.644SS**  trans-66.8121.1-166.5-101.7-44.5000112.9A1479 A1594 Y1595F1477-A1479 PolarHBondContact O-N 3Å; F1477-A1479 VanDerWaalsContact O-N 3.15Å; F1477-A1594 HydrophobicContact CB-CB 4.48Å; F1477-A1594 HydrophobicContact CD2-CB 3.15Å; F1477-A1594 HydrophobicContact CE2-CB 3.29Å; F1477-A1594 HydrophobicContact CG-CB 3.8Å; F1477-A1594 HydrophobicContact CZ-CB 4.04Å; F1477-Y1595 CarbonylContact C-O 3.16Å; F1477-Y1595 VanDerWaalsContact CA-O 3.29Å; F1477-Y1595 WeakPolarHBondContact CA-O 3.15Å
1478S61Low60.5Low83 Ų83108.1 Ų108.158%0.5866%0.66SS**  trans-69.7106.7175.763.10000110.6S1476 S1480 Y1595S1476-S1478 PolarHBondContact O-N 3.4Å; S1478-S1480 PolarHBondContact O-N 2.89Å; S1478-Y1595 PolarHBondContact N-O 2.75Å
1479A63.6Low60.4Low85 Ų85106 Ų10670%0.70265%0.645SS**  trans-69.491.7-179.800000111.7F1477 M1481F1477-A1479 PolarHBondContact O-N 3Å; F1477-A1479 VanDerWaalsContact O-N 3.15Å; A1479-M1481 VanDerWaalsContact C-N 3.35Å; A1479-M1481 HydrophobicContact CB-CG 4.45Å; A1479-M1481 PolarHBondContact O-N 3.36Å
1480S58.1Low59.9Low98 Ų98103.5 Ų103.569%0.68565%0.649SS**  trans-74.182.6177.4-173.20000111.6S1478 T1482S1478-S1480 PolarHBondContact O-N 2.89Å; S1480-T1482 VanDerWaalsContact C-N 3.25Å; S1480-T1482 PolarHBondContact O-N 3.36Å
1481M64.5Low60Low179 Ų179100.1 Ų100.188%0.88263%0.632SS**  trans-79.864.4-179.5-59.6-165.377.500112.7A1479A1479-M1481 VanDerWaalsContact C-N 3.35Å; A1479-M1481 HydrophobicContact CB-CG 4.45Å; A1479-M1481 PolarHBondContact O-N 3.36Å
1482T65.9Low59.4Low89 Ų89100.9 Ų100.955%0.54663%0.631SS.*  trans-110.9119.2174.952.30000111.2S1480 N1484S1480-T1482 VanDerWaalsContact C-N 3.25Å; S1480-T1482 PolarHBondContact O-N 3.36Å; T1482-N1484 PolarHBondContact O-N 3.35Å
1483P57.5Low58.5Low133 Ų133107.7 Ų107.786%0.86465%0.649SS**  trans-79.446.6178.935.1-37.1000112.3
1484N53.5Low57.3Low140 Ų140106.2 Ų106.275%0.74966%0.662SS**  trans-82.1129.5178.2-96.11000110.9T1482 G1486T1482-N1484 PolarHBondContact O-N 3.35Å; N1484-G1486 VanDerWaalsContact C-N 3.32Å; N1484-G1486 PolarHBondContact O-N 2.82Å
1485V49.4Very low55.8Low146 Ų146113 Ų11389%0.88569%0.687SS**  trans-71.490.5169.9-177.30000108.1A1487V1485-A1487 PolarHBondContact O-N 3.45Å
1486G53.8Low54.4Low42 Ų42115.9 Ų115.943%0.43371%0.708SS.*  trans-62116.8-179.400000111.3N1484 F1488N1484-G1486 VanDerWaalsContact C-N 3.32Å; N1484-G1486 PolarHBondContact O-N 2.82Å; G1486-F1488 VanDerWaalsContact O-CD2 3.28Å; G1486-F1488 WeakPolarHBondContact O-CD2 3.47Å; G1486-F1488 PolarHBondContact O-N 3.15Å
1487A51.2Low52.8Low103 Ų103116.1 Ų116.185%0.85171%0.71SS**  trans-71.969.2167.700000109.8V1485 S1489V1485-A1487 PolarHBondContact O-N 3.45Å; A1487-S1489 PolarHBondContact O-N 3.35Å
1488F57.4Low51.6Low183 Ų183118.2 Ų118.280%0.80372%0.719SS**  trans-64.1107.6171-66.3-77.6000108.4G1486G1486-F1488 VanDerWaalsContact O-CD2 3.28Å; G1486-F1488 WeakPolarHBondContact O-CD2 3.47Å; G1486-F1488 PolarHBondContact O-N 3.15Å
1489S58.9Low50.3Low34 Ų34119.1 Ų119.124%0.23873%0.726CS.*PPolyproline II helixtrans-68155.2177.548.10000111.9A1487 F1506 S1507A1487-S1489 PolarHBondContact O-N 3.35Å; S1489-F1506 VanDerWaalsContact CB-O 3.25Å; S1489-F1506 WeakPolarHBondContact CB-O 3.36Å; S1489-F1506 VanDerWaalsContact OG-CB 3.29Å; S1489-F1506 WeakPolarHBondContact OG-CB 3.35Å; S1489-F1506 PolarHBondContact OG-O 3.09Å; S1489-S1507 WeakPolarHBondContact O-CB 3.37Å; S1489-S1507 WeakPolarHBondContact OG-CB 3.31Å
1490P55.3Low49.2Very low112 Ų112120.9 Ų120.973%0.72773%0.73SS**PPolyproline II helixtrans-74.1158.5-169.7-17.333000114.1A1492P1490-A1492 PolarHBondContact O-N 3.25Å
1491A53.7Low48Very low62 Ų62120.4 Ų120.451%0.51273%0.732SS.*PPolyproline II helixtrans-60.3119.1172.100000112P1508A1491-P1508 WeakPolarHBondContact CB-O 3.09Å
1492A47.6Very low46.6Very low88 Ų88122.9 Ų122.973%0.72773%0.733SS**PPolyproline II helixtrans-89.8119.6167.300000110.3P1490P1490-A1492 PolarHBondContact O-N 3.25Å
1493Q44.3Very low45.2Very low196 Ų196123.8 Ų123.892%0.91674%0.743SS**PPolyproline II helixtrans-73.2131.9171.1-69.6-177.3-59.200110.3
1494S41.6Very low44.2Very low118 Ų118123.4 Ų123.483%0.82574%0.741SS**  trans-107.695.8178.959.40000111.5
1495E38.2Very low43.4Very low194 Ų194120.3 Ų120.391%0.90774%0.742SS**  trans-73.5169.6161.2-74.1-162.5146.300111.6
1496S37.6Very low42.6Very low106 Ų106121 Ų12174%0.74173%0.734SS**  trans-85.3135.7-165.757.50000115.5
1497S33.3Very low41.7Very low98 Ų98121.2 Ų121.269%0.68573%0.729SS**  trans80.5142.9148.5-53.60000120
1498F36.6Very low41.1Very low193 Ų193119.6 Ų119.685%0.84671%0.709SS**  trans70.581.1167.9-61.4-74.3000119.9
1499S34.7Very low39.9Very low103 Ų103116.8 Ų116.872%0.7271%0.707SS**  32.3147.5121.761.80000122.4
1500P40.1Very low38.9Very low122 Ų122120.4 Ų120.479%0.79273%0.732SS**  cis-137.3-176.4-0.441.9-23.9000116.2
1501A32.1Very low38.1Very low88 Ų88121.3 Ų121.373%0.72774%0.738SS**  trans84.2129.2153.600000121.6
1502Y35.4Very low37.2Very low231 Ų231122.3 Ų122.391%0.90675%0.754SS**  trans63.2143.5160.3-85.8-93.8000122.1
1503S36.6Very low37Very low108 Ų108123.5 Ų123.576%0.75576%0.757SS**  trans-90.7-177.9-171.2-32.30000112.7
1504P36.2Very low37Very low124 Ų124118.6 Ų118.681%0.80574%0.742SS**  cis-140.6149.90.637.4-17.7000118.5
1505G37.4Very low36.8Very low76 Ų76122.6 Ų122.678%0.78475%0.745SS**  trans85.7156.7149.200000118.6
1506F33.5Very low36.8Very low160 Ų160117.4 Ų117.470%0.70274%0.736SS**  cis-167.3149.1-8.4-165.2-97.6000108.9S1489S1489-F1506 VanDerWaalsContact CB-O 3.25Å; S1489-F1506 WeakPolarHBondContact CB-O 3.36Å; S1489-F1506 VanDerWaalsContact OG-CB 3.29Å; S1489-F1506 WeakPolarHBondContact OG-CB 3.35Å; S1489-F1506 PolarHBondContact OG-O 3.09Å
1507S34.5Very low36.8Very low47 Ų47116.7 Ų116.733%0.32973%0.73SS.*  trans65.2178.2173.1-58.40000118.3S1489S1489-S1507 WeakPolarHBondContact O-CB 3.37Å; S1489-S1507 WeakPolarHBondContact OG-CB 3.31Å
1508P37.9Very low37.1Very low68 Ų68119.1 Ų119.144%0.44274%0.736SS.*  -136.3170.6-77.642.5-26.5000117.2A1491A1491-P1508 WeakPolarHBondContact CB-O 3.09Å
1509V32.8Very low37.2Very low124 Ų124113.2 Ų113.275%0.75272%0.723SS**  trans84.1106.7162.2-171.40000120
1510S38.3Very low37.5Very low110 Ų110116.6 Ų116.677%0.76973%0.727SS**  trans45168.9137.3-51.70000122.8
1511P38.5Very low37.5Very low132 Ų132117.9 Ų117.986%0.85773%0.727SS**  cis-127.9-176-9.842.5-27.5000114.4
1512G34.8Very low37.8Very low82 Ų82116.9 Ų116.985%0.84573%0.725SS**  trans132.8139.8148.800000119.3
1513S42.3Very low38Very low113 Ų113109.2 Ų109.279%0.7972%0.717SS**  trans-98.6-173.316767.20000109.8
1514P44.3Very low38Very low94 Ų94109.7 Ų109.761%0.6172%0.72SS**  cis-153.4-171.341.930.7-1.6000118.6
1515F37.3Very low38.3Very low201 Ų201109.5 Ų109.588%0.88272%0.719SS**  trans69.3153.2164.9-61.2-62.4000117.9
1516A38.6Very low38.4Very low86 Ų86111.9 Ų111.971%0.71172%0.718SS**  cis-170.2168.2-8.300000108.3
1517S36.8Very low38.6Very low90 Ų90110.1 Ų110.163%0.62972%0.722SS**  cis-168.9-179.8-17.3510000109.9
1518D39.7Very low38.5Very low149 Ų149111.5 Ų111.580%0.79774%0.737SS**  trans70.8141153.4-58.2-43.2000122
1519A39.5Very low38.2Very low70 Ų70119.3 Ų119.358%0.57976%0.759SS**  cis-164.4171.8-11.200000113.6
1520H40.7Very low38.5Very low173 Ų173118.4 Ų118.480%0.80176%0.758SS**  trans70.5142.6162-68.2-63.6000119.8
1521D40.5Very low38.5Very low149 Ų149118.3 Ų118.380%0.79776%0.755SS**  cis-165.5175.8-21-144.6-46.2000109.9
1522G38.7Very low38.1Very low67 Ų67117.9 Ų117.969%0.69175%0.75SS**  trans166-39.716000000121.8
1523G38.7Very low38.3Very low71 Ų71120.2 Ų120.273%0.73275%0.748SS**  trans64.5-176.1-175.600000116
1524S37.8Very low37.9Very low118 Ų118120.9 Ų120.983%0.82575%0.75SS**  cis178.6167.7-19-110.30000109.1
1525P41.7Very low37.2Very low120 Ų120119.5 Ų119.578%0.77975%0.753SS**  cis-132.7-179.1-15.938.9-20.8000114.9
1526V40.4Very low36.7Very low125 Ų125119.4 Ų119.476%0.75875%0.752SS**  trans-86.2170.7176.9-133.60000112A1528V1526-A1528 HydrophobicContact CG1-CB 4.03Å
1527P37.7Very low36.5Very low123 Ų123119.7 Ų119.780%0.79975%0.749SS**  -137.7154.167.632.5-12.2000114.7
1528A30.7Very low36.4Very low76 Ų76120.2 Ų120.263%0.62875%0.751SS**  cis81.4103.630.900000115.7V1526V1526-A1528 HydrophobicContact CG1-CB 4.03Å
1529Y32.3Very low35.9Very low233 Ų233118.4 Ų118.491%0.91475%0.749SS**  trans-165.8142149.7-130.6-97.6000112
1530S40Very low35.7Very low105 Ų105120 Ų12073%0.73476%0.756SS**  trans-109.2151.1166.3-52.10000108
1531P38.1Very low35.7Very low107 Ų107116.3 Ų116.370%0.69575%0.748SS**  -161.2-177.991.742.7-22.1000117.1
1532T30.3Very low35.3Very low123 Ų123117.9 Ų117.976%0.75575%0.753SS**  trans22.7140.3146.957.20000123.4
1533T38.9Very low35.2Very low131 Ų131118.2 Ų118.280%0.80475%0.748SS**  trans-40.4144.7159.551.30000115.6
1534P32.7Very low35.1Very low128 Ų128120.1 Ų120.183%0.83175%0.751SS**  -137.6-179.6104.139.6-29.6000114.3
1535G30Very low35.4Very low65 Ų65120.1 Ų120.167%0.6775%0.748SS**  trans-109.2-152.2177.200000114.5
1536F26.1Very low35.1Very low198 Ų198118.5 Ų118.587%0.86874%0.744SS**  trans70.5124.6-162.9-81.7-113000113
1537S34.9Very low34.8Very low92 Ų92123 Ų12364%0.64375%0.749SS**  cis77.7157.22898.30000114.7
1538P35.6Very low34.8Very low102 Ų102121.8 Ų121.866%0.66274%0.744SS**  cis-136.5-169.6-0.239.1-19.7000114.9
1539S29.6Very low35.8Very low110 Ų110124 Ų12477%0.76975%0.752SS**  trans70.8153.3149.165.50000120.1
1540S34.8Very low35.9Very low104 Ų104119.6 Ų119.673%0.72775%0.749SS**  cis-175.5-165-20.962.60000107.9
1541P40.3Very low35.8Very low96 Ų96119.6 Ų119.662%0.62375%0.749SS**  cis-139.1168-11.137.4-18000117.8
1542M31Very low35.9Very low182 Ų182119.6 Ų119.690%0.89775%0.749SS**  trans66.4152.2144.2-74.7161.473.900120.7
1543A37Very low35.7Very low73 Ų73122.6 Ų122.660%0.60375%0.752SS**  cis-156133.8-5.100000109.3
1544S36.2Very low35.2Very low112 Ų112126.6 Ų126.678%0.78375%0.753SS**  82.5157.685.4-51.30000114.8
1545P44.8Very low35.2Very low117 Ų117127.2 Ų127.276%0.7675%0.75SS**  cis-134.2151.72.339-21.6000118.3
1546A34.7Very low35.6Very low86 Ų86128.9 Ų128.971%0.71175%0.749SS**  trans45.4165.713700000122.4
1547Y36Very low35.6Very low219 Ų219125.5 Ų125.586%0.85975%0.75SS**  cis-138.11708.4-93.9-106.1000108.2
1548S36.4Very low35.5Very low98 Ų98126.3 Ų126.369%0.68576%0.755SS**  cis-171152.1-24.752.40000110.1
1549P51.6Low35.8Very low122 Ų122126.2 Ų126.279%0.79276%0.755SS**  trans-115.3162.7-170.941.2-33.2000116.6
1550V35.1Very low35.8Very low142 Ų142129.1 Ų129.186%0.86176%0.756SS**  trans-143.7159.5164.9-169.80000111.3
1551S37.6Very low35.7Very low105 Ų105134.1 Ų134.173%0.73476%0.761SS**  trans-144.7-148-177.1-51.10000108.8
1552P39.9Very low35.6Very low107 Ų107133.8 Ų133.870%0.69576%0.761SS**  cis-143.6-1800.745.5-25.4000118.2
1553K26.7Very low36.1Very low186 Ų186130.7 Ų130.781%0.80975%0.754SS**  trans55.8112.3140.3-76.8168.7179.4-179.50123.4
1554Y29Very low35.9Very low214 Ų214131.4 Ų131.484%0.83976%0.76SS**  71.4143.5111-108.2-91.8000124.9
1555N32.7Very low36.2Very low141 Ų141131.5 Ų131.575%0.75476%0.761SS**  trans86.4164.8153.4-108.116000119.4
1556P37.1Very low36.2Very low101 Ų101131.7 Ų131.766%0.65676%0.762SS**  -129.6168.1-126.340.7-22.8000116.1
1557S27.2Very low36.1Very low126 Ų126131.8 Ų131.888%0.88176%0.763SS**  trans170.6164.8145.8-80.20000113
1558S32.8Very low35.6Very low109 Ų109133.2 Ų133.276%0.76277%0.768SS**  trans-85.1-175.6173.651.50000111.5
1559P41.4Very low35.4Very low100 Ų100132.2 Ų132.265%0.64977%0.774SS**  cis-150.4164.52143.7-21.6000122.2
1560Q28.7Very low34.3Very low172 Ų172132.1 Ų132.180%0.80478%0.776SS**  trans39126.1137.3-57.2166.9-63.300124.8
1561Y33.3Very low33.8Very low208 Ų208131.2 Ų131.282%0.81677%0.771SS**  166.6105.1110.6-123.5-105.4000109.9
1562S39.1Very low33.9Very low90 Ų90131.6 Ų131.663%0.62977%0.773SS**  80.5153.579.1105.10000115.5
1563P40.6Very low33.7Very low116 Ų116132.8 Ų132.875%0.75378%0.781SS**  cis-136.6158.55.840.8-22.8000119.3
1564A33.4Very low33.9Very low88 Ų88128.9 Ų128.973%0.72778%0.777SS**  trans53108.2142.600000124.5
1565S42.9Very low34Very low114 Ų114129.9 Ų129.980%0.79778%0.781SS**  37.2159.588.7-48.10000120.7
1566P43.7Very low34Very low122 Ų122131.8 Ų131.879%0.79278%0.783SS**  cis-144.2-17519.444-24.6000118.6
1567A33.1Very low34Very low88 Ų88132 Ų13273%0.72778%0.784SS**  trans115.7119.2150.100000119.4
1568Y25.8Very low34Very low248 Ų248132.7 Ų132.797%0.97378%0.777SS**  trans38118.4150.8-78.7-97000121.7
1569G32.5Very low33.8Very low77 Ų77135.7 Ų135.779%0.79478%0.776SS**  trans-169.9151.7165.400000112.8
1570S26.8Very low33.1Very low120 Ų120139.2 Ų139.284%0.83978%0.782SS**  trans-162.5162.2-173.767.30000111.2
1571T26.5Very low33Very low124 Ų124140.9 Ų140.976%0.76178%0.782SS**  cis-124163.4-3.955.10000110.8
1572S38.7Very low33Very low112 Ų112135.8 Ų135.878%0.78378%0.777SS**  trans-169156.1168-80.20000110.4
1573P34.8Very low32.9Very low133 Ų133136.6 Ų136.686%0.86478%0.78SS**  -143.1149.5121.936.6-23.4000114.8
1574S31.6Very low32.3Very low103 Ų103137.7 Ų137.772%0.7279%0.785SS**  trans-93.4167170.2-36.10000112
1575Y30.3Very low32.2Very low235 Ų235138.6 Ų138.692%0.92279%0.786SS**  trans-143.6162.7141.8-119.5-86.2000112.4
1576K33.5Very low31.9Very low182 Ų182138.3 Ų138.379%0.79178%0.781SS**  trans-111.8-166.2-173.1-54.6175179.81730108.8
1577P36.4Very low31.1Very low106 Ų106139.4 Ų139.469%0.68878%0.775SS**  cis-148.1161.60.642.3-21.3000120.2
1578L29Very low30.9Very low140 Ų140139.5 Ų139.573%0.73376%0.757SS**  trans56.5124135.6-64.6169.1000125.3
1579K28.4Very low31.5Very low171 Ų171131 Ų13174%0.74373%0.734SS**  88.7116.6128.9-76.3171.4175.5169.50123.9
1580K26.6Very low31.7Very low174 Ų174132.9 Ų132.976%0.75773%0.733SS**  96.8125.5125.4-85.7-171.1169.6-171.40122.9
1581Y25.9Very low32.1Very low208 Ų208132.1 Ų132.182%0.81672%0.723SS**  trans84.2147.1153.3-82.3-67.5000121.8
1582S34.2Very low32.6Very low100 Ų100131.6 Ų131.670%0.69972%0.715SS**  trans-93.3178.2-174.851.90000111.7
1583P35.8Very low32.6Very low107 Ų107130.4 Ų130.470%0.69571%0.705SS**  cis-141.7-177.515.442.1-22.3000118.1
1584T27.5Very low32.6Very low140 Ų140124.9 Ų124.986%0.85967%0.671SS**  trans71159.7162.129.60000119.5
1585S31.3Very low32.6Very low107 Ų107127.5 Ų127.575%0.74867%0.666SS**  trans-89.8176.6-16854.10000113.9
1586P36.7Very low32.9Very low108 Ų108118.3 Ų118.370%0.70164%0.642SS**  cis-139.2-170.36.144.3-25.6000117.4
1587H28.7Very low32.8Very low144 Ų144117.7 Ų117.767%0.66765%0.645SS**  trans72.5111.4156.6-91.9-98.5000123.9
1588Y28.4Very low32.5Very low90 Ų90118.6 Ų118.635%0.35365%0.648SS.*  83.2120.4122.5-100.3-107.8000128D1418 S1625 P1626 T1627D1418-Y1588 PolarHBondContact OD2-OH 3.5Å; D1418-Y1588 VanDerWaalsContact OD2-OH 3.06Å; Y1588-S1625 PolarHBondContact OH-OG 3.03Å; Y1588-P1626 HydrophobicContact CD1-CB 3.81Å; Y1588-P1626 HydrophobicContact CE1-CB 3.51Å; Y1588-T1627 HydrophobicContact CD1-CG2 4.03Å; Y1588-T1627 WeakPolarHBondContact CD1-OG1 3.49Å; Y1588-T1627 HydrophobicContact CE1-CG2 3.13Å; Y1588-T1627 VanDerWaalsContact CE1-OG1 3.23Å; Y1588-T1627 WeakPolarHBondContact CE1-OG1 3.33Å; Y1588-T1627 VanDerWaalsContact OH-CG2 3.3Å; Y1588-T1627 WeakPolarHBondContact OH-CG2 3.01Å
1589S38.1Very low32.7Very low69 Ų69116.2 Ų116.248%0.48364%0.643SS.*  trans69.1165.9137.5-1430000122.6P1626S1589-P1626 WeakPolarHBondContact OG-CB 3.37Å; S1589-P1626 WeakPolarHBondContact OG-CG 3.33Å
1590P36.5Very low33Very low118 Ų118112.6 Ų112.677%0.76664%0.637SS**  cis-132.3-1340.343.1-22000118
1591T35.4Very low32.9Very low103 Ų103109.6 Ų109.663%0.63264%0.638SS**  trans-128.6159.3-138.156.70000122.9
1592N37Very low33Very low113 Ų113109.6 Ų109.660%0.60464%0.643SS**  trans72.2179.3150.3-68.7-43.4000120.1S1474S1474-N1592 WeakPolarHBondContact CB-ND2 3.38Å; S1474-N1592 VanDerWaalsContact OG-CG 3.32Å; S1474-N1592 PolarHBondContact OG-ND2 3.17Å; S1474-N1592 VanDerWaalsContact OG-ND2 3.1Å; S1474-N1592 PolarHBondContact OG-OD1 3.44Å
1593P38.9Very low32.7Very low88 Ų88109.5 Ų109.557%0.57164%0.642SS**  cis-149.5-173.59.141.6-17.1000120.2P1475P1475-P1593 CarbonylContact O-C 3.59Å
1594A35.4Very low32.6Very low16 Ų16109.8 Ų109.813%0.13264%0.644CS.*  156.1-17101.500000130.1P1475 F1477P1475-A1594 VanDerWaalsContact CB-O 3.27Å; P1475-A1594 WeakPolarHBondContact CB-O 3.21Å; P1475-A1594 VanDerWaalsContact CG-O 3.24Å; P1475-A1594 WeakPolarHBondContact CG-O 3.23Å; P1475-A1594 WeakPolarHBondContact O-CA 3.5Å; P1475-A1594 PolarHBondContact O-N 2.85Å; F1477-A1594 HydrophobicContact CB-CB 4.48Å; F1477-A1594 HydrophobicContact CD2-CB 3.15Å; F1477-A1594 HydrophobicContact CE2-CB 3.29Å; F1477-A1594 HydrophobicContact CG-CB 3.8Å; F1477-A1594 HydrophobicContact CZ-CB 4.04Å
1595Y30.9Very low32.6Very low158 Ų158106.2 Ų106.262%0.6263%0.625SS**  trans171.1130.2158.9-93.9-53.5000117.1P1475 S1476 F1477 S1478P1475-Y1595 HydrophobicContact CB-CD1 3.74Å; P1475-Y1595 HydrophobicContact CB-CE1 4.05Å; P1475-Y1595 HydrophobicContact CB-CG 4.05Å; P1475-Y1595 HydrophobicContact CG-CD1 4.38Å; P1475-Y1595 HydrophobicContact CG-CE1 4.37Å; S1476-Y1595 VanDerWaalsContact N-N 3.14Å; S1476-Y1595 CarbonylContact O-C 3.59Å; S1476-Y1595 WeakPolarHBondContact O-CA 3.49Å; S1476-Y1595 PolarHBondContact O-N 2.84Å; F1477-Y1595 CarbonylContact C-O 3.16Å; F1477-Y1595 VanDerWaalsContact CA-O 3.29Å; F1477-Y1595 WeakPolarHBondContact CA-O 3.15Å; S1478-Y1595 PolarHBondContact N-O 2.75Å
1596G35.7Very low32.8Very low42 Ų42105.3 Ų105.343%0.43362%0.618SS.*  122.6167.19100000113.8S1476S1476-G1596 PolarHBondContact O-N 2.75Å
1597M32Very low32.8Very low170 Ų170106.1 Ų106.184%0.83762%0.624SS**  cis-158137.1-6-61.9172.659.200112
1598T31.1Very low32.7Very low125 Ų125102.5 Ų102.577%0.76763%0.625SS**  trans172.2141.1145.2300000112.5T1448T1448-T1598 HydrophobicContact CG2-CG2 3.67Å
1599S32.2Very low32.7Very low89 Ų89108.5 Ų108.562%0.62265%0.649SS**  trans-156.7-179.8-171.4-51.20000109.7T1448T1448-S1599 VanDerWaalsContact CG2-N 3.33Å; T1448-S1599 WeakPolarHBondContact CG2-O 3.32Å
1600P35.6Very low32.2Very low95 Ų95111.5 Ų111.562%0.61766%0.659SS**  cis-143.6-173.98.941.1-19.5000117.9
1601S24.7Very low31.7Very low112 Ų112112.2 Ų112.278%0.78366%0.661SS**  trans104.7130.3144.9-62.40000122.6
1602F26.7Very low31.4Very low208 Ų208110.2 Ų110.291%0.91266%0.655SS**  trans-60.6175.1174.1-71.7-109.3000114.3
1603S27.6Very low31Very low98 Ų98108.2 Ų108.269%0.68565%0.651SS**  cis-160.2177.528.669.40000113.5
1604P34Very low30.8Very low112 Ų112107.3 Ų107.373%0.72765%0.646SS**  trans-112.2129.2-175.637-26.8000116.8
1605S27.2Very low30.7Very low65 Ų65112.5 Ų112.546%0.45568%0.679SS.*  trans-171.4163.6153.6-91.60000113.7S1439 G1440S1439-S1605 VanDerWaalsContact C-CB 3.47Å; G1440-S1605 WeakPolarHBondContact CA-O 3.42Å
1606S35.8Very low30.5Very low88 Ų88111.9 Ų111.962%0.61568%0.681SS**  trans-76.6177.2-173.2-37.50000114.5G1440G1440-S1606 PolarHBondContact N-O 3.22Å
1607P36.5Very low30.1Very low126 Ų126119 Ų11982%0.81870%0.696SS**  cis-141172.95.743.1-25.3000118.3
1608G28.1Very low30.1Very low67 Ų67115.4 Ų115.469%0.69169%0.688SS**  trans113.1111.614300000120.6
1609Y27.3Very low30.2Very low216 Ų216114.5 Ų114.585%0.84768%0.684SS**  trans56.9119.6152.6-74.5-83.7000123.7
1610D27.8Very low29.7Very low133 Ų133116.5 Ų116.571%0.71169%0.685SS**  trans76.5137.3135.5-68.9-3.3000125.6
1611T26.8Very low29.3Very low132 Ų132117.1 Ų117.181%0.8169%0.692SS**  trans75.9106.1165.663.20000120.8
1612A29.1Very low29.6Very low61 Ų61117 Ų11750%0.50469%0.688SS.*  73.2144.1119.600000123.9
1613S28.6Very low29.5Very low72 Ų72111.8 Ų111.850%0.50368%0.677SS.*  trans101.9122.5154-35.40000119.9N537N537-S1613 WeakPolarHBondContact O-CB 3.44Å; N537-S1613 PolarHBondContact O-OG 3.44Å; N537-S1613 VanDerWaalsContact O-OG 3.09Å
1614S33.3Very low29.3Very low69 Ų69117.5 Ų117.548%0.48369%0.686SS.*  trans-83.2166.7164.656.90000113.3
1615P34.1Very low29.5Very low125 Ų125114.8 Ų114.881%0.81267%0.669SS**  -145.7177.2106.938.1-22.5000116.7
1616H26.8Very low29.8Very low145 Ų145113.6 Ų113.667%0.67166%0.66SS**  trans-82155.1-173.7-58.3-113.6000115.3
1617Y27.3Very low29.5Very low191 Ų191111 Ų11175%0.74964%0.64SS**  -177.1169.6100.3-115.3-91.3000114.6
1618S32.1Very low29.3Very low94 Ų94106.5 Ų106.566%0.65761%0.612SS**  trans-101.3-171.4-177.657.30000111.9
1619P32.1Very low29.8Very low106 Ų106107.3 Ų107.369%0.68861%0.605SS**  cis-147.5-179.917.345.2-23.7000120
1620M23.4Very low29.7Very low132 Ų132102.1 Ų102.165%0.6560%0.599SS**  trans45.6118.3147.7-68.3166.39100123.3
1621S27.3Very low29.6Very low108 Ų108106.5 Ų106.576%0.75561%0.607SS**  55.9159.9122.9-57.50000122.8
1622P30.9Very low29.6Very low108 Ų108107 Ų10770%0.70161%0.605SS**  cis-135.5169.9-1936.8-17.9000116.5
1623S24Very low29.6Very low99 Ų99107.1 Ų107.169%0.69261%0.612SS**  trans64.1135.7140.563.20000125.2
1624Y23.1Very low29.5Very low219 Ų219109.4 Ų109.486%0.85962%0.623SS**  trans86.5107.7142.3-101-96000124.4
1625S38.5Very low29.4Very low54 Ų54111.4 Ų111.438%0.37864%0.637SS.*  trans-20140.2149.9-168.10000120.1K1421 Y1588K1421-S1625 WeakPolarHBondContact CE-OG 3.42Å; K1421-S1625 PolarHBondContact NZ-OG 2.85Å; Y1588-S1625 PolarHBondContact OH-OG 3.03Å
1626P32.5Very low29.6Very low40 Ų40110.3 Ų110.326%0.2663%0.63SS.*  -152.9-161.1116.738.7-18.9000119K1421 L1424 Y1588 S1589K1421-P1626 WeakPolarHBondContact CD-O 3.44Å; K1421-P1626 WeakPolarHBondContact CE-O 3.31Å; K1421-P1626 PolarHBondContact NZ-O 3.26Å; L1424-P1626 WeakPolarHBondContact CD1-O 3.32Å; Y1588-P1626 HydrophobicContact CD1-CB 3.81Å; Y1588-P1626 HydrophobicContact CE1-CB 3.51Å; S1589-P1626 WeakPolarHBondContact OG-CB 3.37Å; S1589-P1626 WeakPolarHBondContact OG-CG 3.33Å
1627T30.9Very low29.6Very low34 Ų34114.2 Ų114.221%0.20964%0.639CS.*  trans-131.5175.7-14447.90000120.2E1420 K1421 Y1588E1420-T1627 VanDerWaalsContact C-CB 3.48Å; E1420-T1627 HydrophobicContact CB-CG2 3.42Å; E1420-T1627 VanDerWaalsContact CB-CG2 3.42Å; E1420-T1627 CarbonylContact O-C 3.53Å; E1420-T1627 WeakPolarHBondContact O-CB 3.38Å; E1420-T1627 WeakPolarHBondContact O-CG2 3.35Å; K1421-T1627 HydrophobicContact CB-CG2 4.29Å; K1421-T1627 HydrophobicContact CD-CG2 4.15Å; K1421-T1627 HydrophobicContact CG-CG2 3.76Å; Y1588-T1627 HydrophobicContact CD1-CG2 4.03Å; Y1588-T1627 WeakPolarHBondContact CD1-OG1 3.49Å; Y1588-T1627 HydrophobicContact CE1-CG2 3.13Å; Y1588-T1627 VanDerWaalsContact CE1-OG1 3.23Å; Y1588-T1627 WeakPolarHBondContact CE1-OG1 3.33Å; Y1588-T1627 VanDerWaalsContact OH-CG2 3.3Å; Y1588-T1627 WeakPolarHBondContact OH-CG2 3.01Å
1628S31.2Very low29.7Very low32 Ų32114.8 Ų114.822%0.22464%0.641CS.*  trans103.9174.8153.6-122.80000121.4E1420 K1423 L1424E1420-S1628 WeakPolarHBondContact O-CA 3.37Å; E1420-S1628 PolarHBondContact O-N 3.35Å; E1420-S1628 WeakPolarHBondContact OE2-CB 3.23Å; E1420-S1628 PolarHBondContact OE2-OG 3Å; K1423-S1628 CarbonylContact C-O 3.57Å; K1423-S1628 WeakPolarHBondContact CD-OG 3.41Å; K1423-S1628 PolarHBondContact NZ-OG 3.36Å; K1423-S1628 VanDerWaalsContact NZ-OG 3.15Å; K1423-S1628 VanDerWaalsContact O-O 3.05Å; L1424-S1628 VanDerWaalsContact CA-O 3.26Å; L1424-S1628 WeakPolarHBondContact CA-O 3.45Å; L1424-S1628 VanDerWaalsContact CD2-O 3.25Å; L1424-S1628 WeakPolarHBondContact CD2-O 3.26Å; L1424-S1628 WeakPolarHBondContact CG-O 3.36Å; L1424-S1628 PolarHBondContact N-O 3.17Å; L1424-S1628 VanDerWaalsContact N-O 3.15Å
1629P38.4Very low29.5Very low83 Ų83115.6 Ų115.654%0.53965%0.647SS.*  -106.3165.4-102.27.414.8000124.6K1423K1423-P1629 VanDerWaalsContact CB-CA 3.5Å; K1423-P1629 HydrophobicContact CB-CB 4.26Å; K1423-P1629 HydrophobicContact CD-CB 3.52Å; K1423-P1629 HydrophobicContact CD-CG 3.97Å; K1423-P1629 HydrophobicContact CG-CB 3.77Å; K1423-P1629 CarbonylContact O-C 3.55Å; K1423-P1629 VanDerWaalsContact O-CA 3.25Å; K1423-P1629 WeakPolarHBondContact O-CA 3.42Å
1630C25.3Very low29.3Very low107 Ų107114.1 Ų114.172%0.72365%0.651SS**  trans-146.3-146.6155.9-96.60000114.5K1423K1423-C1630 PolarHBondContact O-N 3.05Å
1631Y25.4Very low29.5Very low225 Ų225116.8 Ų116.888%0.88266%0.661SS**  trans-144.9175.9-148.8-90.2-58.4000113.3
1632D27.3Very low29.5Very low143 Ų143118.2 Ų118.277%0.76567%0.666SS**  cis-164.1-172.5-14.9179.536000108.4
1633G28.4Very low29.3Very low63 Ų63121.2 Ų121.265%0.64967%0.674SS**  trans165.614.6163.900000123.8
1634V28.1Very low29.7Very low121 Ų121119.7 Ų119.773%0.73367%0.674SS**  trans5699.3164.1-170.60000120
1635S30.7Very low29.8Very low111 Ų111113.5 Ų113.578%0.77666%0.662SS**  47.8159.2126.8-79.80000124.8
1636P38.2Very low29.3Very low102 Ų102120.9 Ų120.966%0.66268%0.683SS**  cis-145.7-177.2-23.342-23.2000116.8
1637R27.3Very low29.1Very low227 Ų227125.3 Ų125.386%0.85770%0.701SS**  trans78.2139.2156.2-70.8-174.9-174.8177.72.7119.9
1638Y28Very low29.1Very low202 Ų202127 Ų12779%0.79271%0.712SS**  cis-166.2154.2-18.5-145.7-117.1000111.8
1639S29.3Very low28.9Very low112 Ų112128.3 Ų128.378%0.78372%0.721SS**  trans52.4137.1157.6570000122
1640G27.8Very low28.4Very low75 Ų75127.2 Ų127.277%0.77372%0.716SS**  trans-173.5-29.216900000122
1641Q26.5Very low28.8Very low188 Ų188126.2 Ų126.288%0.87971%0.708SS**  trans59.7110.2-179.7-60.8-179.3-14.900118.7
1642T27.2Very low28.9Very low137 Ų137117.4 Ų117.484%0.8468%0.679SS**  trans166.1171.3130.234.80000111.2
1643I27.2Very low28.9Very low172 Ų172112.5 Ų112.588%0.88265%0.651SS**  trans83.6136.9169.1-51.6167000117.5
1644G31.5Very low28.9Very low66 Ų66110.3 Ų110.368%0.6863%0.627SS**  trans-162.7163.315700000108.4
1645S26.2Very low28.9Very low89 Ų89105.9 Ų105.962%0.62260%0.601SS**  cis-166.8177.2-7.6490000109.3
1646Y27.7Very low28.8Very low209 Ų209100.9 Ų100.982%0.8257%0.565SS**  trans74.9126.9178.8-49.8-72.9000115.4
1647Q29.2Very low28.4Very low134 Ų13499.5 Ų99.563%0.62656%0.558SS**  cis77.698.22.4-84.5-163.6-31.100118.4L1416L1416-Q1647 HydrophobicContact CD1-CB 4.39Å; L1416-Q1647 HydrophobicContact CD2-CB 3.26Å; L1416-Q1647 HydrophobicContact CD2-CG 3.28Å; L1416-Q1647 HydrophobicContact CG-CB 4.46Å
1648P31.3Very low28.5Very low68 Ų6889.1 Ų89.144%0.44252%0.521SS..  trans-128.7-167.3137.9-1.225.2000117D1414 L1415 L1416D1414-P1648 CarbonylContact C-O 3.58Å; D1414-P1648 WeakPolarHBondContact OD2-CD 3.38Å; L1415-P1648 CarbonylContact C-O 3.48Å; L1415-P1648 WeakPolarHBondContact CA-O 3.3Å; L1415-P1648 PolarHBondContact N-O 2.81Å; L1416-P1648 WeakPolarHBondContact CD2-O 3.19Å; L1416-P1648 VanDerWaalsContact CG-C 3.43Å; L1416-P1648 VanDerWaalsContact CG-O 3.32Å; L1416-P1648 WeakPolarHBondContact CG-O 3.1Å; L1416-P1648 PolarHBondContact N-O 3.36Å
1649S25.8Very low28.5Very low60 Ų6082.6 Ų82.642%0.4250%0.504SS..  trans-124168.1-168-69.40000117.3D1414 L1416D1414-S1649 CarbonylContact O-C 3.59Å; D1414-S1649 WeakPolarHBondContact O-CA 3.5Å; L1416-S1649 WeakPolarHBondContact CB-OG 3.49Å; L1416-S1649 VanDerWaalsContact CG-OG 3.27Å; L1416-S1649 WeakPolarHBondContact CG-OG 3.39Å; L1416-S1649 PolarHBondContact N-OG 3.05Å
1650S27.4Very low28.4Very low60 Ų6080.9 Ų80.942%0.4248%0.481SS..  trans-74.2178-176.856.20000117.6F1413 D1414 L1415F1413-S1650 VanDerWaalsContact CD2-CA 3.44Å; D1414-S1650 PolarHBondContact O-N 2.94Å; D1414-S1650 VanDerWaalsContact O-N 3.13Å; L1415-S1650 VanDerWaalsContact CD2-CB 3.5Å; L1415-S1650 VanDerWaalsContact CD2-OG 3.3Å; L1415-S1650 WeakPolarHBondContact CD2-OG 3.29Å
1651P34.2Very low28.2Very low87 Ų8779.9 Ų79.957%0.56546%0.462SS*.  cis-129.3-173-7.337.6-18.6000115.3F1413F1413-P1651 VanDerWaalsContact CZ-CA 3.44Å; F1413-P1651 HydrophobicContact CZ-CB 4.38Å
1652S27.1Very low28.2Very low40 Ų4074.3 Ų74.328%0.2844%0.442SS..  trans139.2144.2146.3-81.60000115.9G1409G1409-S1652 CarbonylContact C-O 3.56Å; G1409-S1652 VanDerWaalsContact C-O 3.25Å
1653F28.9Very low28.2Very low39 Ų3971.2 Ų71.217%0.17142%0.424CS..  trans-151.8152.6164.9-131-32.1000108.6L484 M1027 M1408 G1409 T1410L484-F1653 HydrophobicContact CD1-CB 3.53Å; L484-F1653 HydrophobicContact CD1-CD2 3.76Å; L484-F1653 HydrophobicContact CD1-CG 3.95Å; L484-F1653 HydrophobicContact CD2-CB 3.61Å; L484-F1653 VanDerWaalsContact CD2-O 3.24Å; L484-F1653 WeakPolarHBondContact CD2-O 3.32Å; L484-F1653 HydrophobicContact CG-CB 4.23Å; M1027-F1653 HydrophobicContact CG-CE1 4.21Å; M1408-F1653 HydrophobicContact CB-CZ 4.42Å; M1408-F1653 HydrophobicContact CG-CZ 4.25Å; G1409-F1653 VanDerWaalsContact CA-CE1 3.48Å; T1410-F1653 HydrophobicContact CG2-CB 4.28Å; T1410-F1653 HydrophobicContact CG2-CD2 3.77Å; T1410-F1653 HydrophobicContact CG2-CG 4.49Å; T1410-F1653 WeakPolarHBondContact OG1-CD2 3.38Å; T1410-F1653 VanDerWaalsContact OG1-CE2 3.27Å; T1410-F1653 WeakPolarHBondContact OG1-CE2 3.43Å
1654A26.8Very low28.1Very low18 Ų1866.9 Ų66.915%0.14941%0.408CS..  trans-110.5134.3146.700000107.2E1026 T1656E1026-A1654 HydrophobicContact CG-CB 4.5Å; A1654-T1656 PolarHBondContact O-N 3.15Å
1655P28.9Very low27.8Very low27 Ų2767.3 Ų67.318%0.17540%0.399CS..  trans-79.1123.3-177.331.3-33.9000109.8K432 L484 C485 M490K432-P1655 WeakPolarHBondContact CD-O 3.18Å; K432-P1655 WeakPolarHBondContact CE-O 3.34Å; K432-P1655 PolarHBondContact NZ-O 3.08Å; L484-P1655 HydrophobicContact CB-CB 3.97Å; L484-P1655 HydrophobicContact CB-CG 3.8Å; C485-P1655 HydrophobicContact CB-CB 4.15Å; C485-P1655 HydrophobicContact CB-CG 4.23Å; M490-P1655 HydrophobicContact CE-CG 3.68Å; M490-P1655 HydrophobicContact SD-CG 4.16Å
1656T28.6Very low27.8Very low6 Ų665.7 Ų65.74%0.03740%0.397CS..  trans-145.152.8-18041.50000113.7K432 P494 E1026 L1031 A1654K432-T1656 HydrophobicContact CD-CG2 3.98Å; P494-T1656 HydrophobicContact CG-CG2 4.27Å; E1026-T1656 VanDerWaalsContact OE1-CG2 3.29Å; E1026-T1656 WeakPolarHBondContact OE1-CG2 3.33Å; E1026-T1656 PolarHBondContact OE1-OG1 3.46Å; E1026-T1656 VanDerWaalsContact OE1-OG1 3.12Å; L1031-T1656 HydrophobicContact CB-CG2 4.41Å; L1031-T1656 HydrophobicContact CD1-CG2 3.81Å; L1031-T1656 HydrophobicContact CD2-CG2 3.93Å; L1031-T1656 HydrophobicContact CG-CG2 4.23Å; A1654-T1656 PolarHBondContact O-N 3.15Å
1657S29.4Very low27.7Very low73 Ų7365.7 Ų65.751%0.5140%0.397SS..  trans-155.1155.1170.869.30000115.6
1658P29.9Very low27.6Very low10 Ų1065.4 Ų65.47%0.06540%0.404CS..  trans-117152153.938.6-31.1000113T429 M435 L1034T429-P1658 HydrophobicContact CG2-CB 3.48Å; T429-P1658 VanDerWaalsContact CG2-CB 3.48Å; T429-P1658 WeakPolarHBondContact O-CG 3.33Å; M435-P1658 HydrophobicContact CG-CB 4.29Å; M435-P1658 HydrophobicContact SD-CB 4.29Å; L1034-P1658 HydrophobicContact CD1-CG 4.37Å; L1034-P1658 HydrophobicContact CD2-CG 3.63Å
1659S28.6Very low27.4Very low65 Ų6564.5 Ų64.546%0.45541%0.407SS..SBendtrans62.453.2154.1-65.40000119.1T429T429-S1659 WeakPolarHBondContact CB-OG 3.15Å
1660Y26Very low27.4Very low76 Ų7668.3 Ų68.330%0.29843%0.427SS..  -120.6154.7107.2-86.2-58.6000109.4M321 P1662M321-Y1660 HydrophobicContact CB-CD1 4.16Å; M321-Y1660 HydrophobicContact CB-CE1 3.58Å; M321-Y1660 HydrophobicContact CE-CD1 4.29Å; M321-Y1660 HydrophobicContact CE-CD2 3.56Å; M321-Y1660 HydrophobicContact CE-CE1 4.27Å; M321-Y1660 HydrophobicContact CE-CE2 3.51Å; M321-Y1660 HydrophobicContact CE-CG 3.96Å; M321-Y1660 WeakPolarHBondContact O-CD1 3.25Å; Y1660-P1662 VanDerWaalsContact C-CD 3.47Å; Y1660-P1662 WeakPolarHBondContact O-CD 3.25Å
1661S24.9Very low27.3Very low53 Ų5369.5 Ų69.537%0.37144%0.441SS..  trans-11581.8-170.462.60000112.6T1663S1661-T1663 PolarHBondContact O-N 3.1Å; S1661-T1663 VanDerWaalsContact O-N 3.07Å
1662P25.6Very low27.1Very low71 Ų7170.9 Ų70.946%0.46145%0.453SS..  trans-78.771.1161.935.4-32.8000109.4V1400 Y1660 S1664V1400-P1662 HydrophobicContact CG2-CB 4.34Å; Y1660-P1662 VanDerWaalsContact C-CD 3.47Å; Y1660-P1662 WeakPolarHBondContact O-CD 3.25Å; P1662-S1664 VanDerWaalsContact C-N 3.35Å; P1662-S1664 PolarHBondContact O-N 3.27Å; P1662-S1664 VanDerWaalsContact O-N 3.12Å
1663T26.7Very low27.1Very low73 Ų7374.8 Ų74.845%0.44848%0.477SS..  trans-66.5107.6147.735.50000105.8K323 S1661K323-T1663 PolarHBondContact NZ-O 2.73Å; S1661-T1663 PolarHBondContact O-N 3.1Å; S1661-T1663 VanDerWaalsContact O-N 3.07Å
1664S26.2Very low27.1Very low80 Ų8075.9 Ų75.956%0.55950%0.499SS*.PPolyproline II helixtrans-50.7145.2-169.8-42.40000111.8P1662 G1666P1662-S1664 VanDerWaalsContact C-N 3.35Å; P1662-S1664 PolarHBondContact O-N 3.27Å; P1662-S1664 VanDerWaalsContact O-N 3.12Å; S1664-G1666 PolarHBondContact O-N 2.89Å
1665P24.9Very low27.3Very low76 Ų7677.3 Ų77.349%0.49451%0.507SS..PPolyproline II helixtrans-56.9127.1144.7-8.325.8000106.3G1403 Y1667G1403-P1665 WeakPolarHBondContact O-CD 3.43Å; G1403-P1665 WeakPolarHBondContact O-CG 3.48Å; P1665-Y1667 PolarHBondContact O-N 3.15Å
1666G26.2Very low27.3Very low55 Ų5579 Ų7957%0.56752%0.519SS*.PPolyproline II helixtrans-58.5126164.400000107.4S1664 V1668S1664-G1666 PolarHBondContact O-N 2.89Å; G1666-V1668 VanDerWaalsContact C-N 3.26Å; G1666-V1668 PolarHBondContact O-N 3.17Å
1667Y25.3Very low27.3Very low208 Ų20889 Ų8982%0.81656%0.558SS**  trans-70.887.8-179.3-167.5-92.8000108.9P1665 G1669P1665-Y1667 PolarHBondContact O-N 3.15Å; Y1667-G1669 PolarHBondContact O-N 2.93Å
1668V26.3Very low27.2Very low128 Ų12890.5 Ų90.578%0.77656%0.558SS**  trans-64.4106.6171.8-178.60000106.6G1666 V1670G1666-V1668 VanDerWaalsContact C-N 3.26Å; G1666-V1668 PolarHBondContact O-N 3.17Å; V1668-V1670 PolarHBondContact O-N 2.93Å
1669G27.1Very low27.1Very low49 Ų4995.2 Ų95.251%0.50559%0.591SS.*  trans-53.1131.9177.800000110.3Y1667 A1671Y1667-G1669 PolarHBondContact O-N 2.93Å; G1669-A1671 PolarHBondContact O-N 3.36Å
1670V26.2Very low27.2Very low140 Ų140100.8 Ų100.885%0.84861%0.607SS**  trans-72.490.7-172.1-178.30000110.1V1668V1668-V1670 PolarHBondContact O-N 2.93Å
1671A26.2Very low27.1Very low85 Ų85104.1 Ų104.170%0.70263%0.625SS**  trans-138.272.9176.400000111G1669G1669-A1671 PolarHBondContact O-N 3.36Å
1672S28.4Very low27.3Very low117 Ų117108.2 Ų108.282%0.81865%0.648SS**  trans70.9152.6171.5-57.20000117.6
1673P29.1Very low27.3Very low121 Ų121111.2 Ų111.279%0.78666%0.66SS**  trans-89.4147.5-175.634.8-34.5000113.6
1674G28.7Very low27.3Very low62 Ų62112.5 Ų112.564%0.63967%0.672SS**  trans-157.4148.2171.900000113.4E45E45-G1674 WeakPolarHBondContact OE1-CA 3.33Å
1675P30.4Very low27.3Very low48 Ų48115.7 Ų115.731%0.31268%0.676SS.*  trans-97.3164.3-170.221.3-13.4000117.4N42 E45N42-P1675 HydrophobicContact CB-CB 4.38Å; N42-P1675 VanDerWaalsContact ND2-CB 3.3Å; N42-P1675 WeakPolarHBondContact ND2-CB 3.43Å; E45-P1675 HydrophobicContact CG-CB 3.77Å; E45-P1675 HydrophobicContact CG-CG 4.48Å; E45-P1675 WeakPolarHBondContact OE1-CD 3.34Å; E45-P1675 WeakPolarHBondContact OE1-CG 3.37Å; E45-P1675 VanDerWaalsContact OE2-CB 3.3Å; E45-P1675 WeakPolarHBondContact OE2-CB 3.39Å; E45-P1675 WeakPolarHBondContact OE2-CG 3.3Å
1676S28.5Very low27.4Very low62 Ų62117.5 Ų117.543%0.43467%0.674SS.*  trans69.6153.3155.6530000116.2
1677Y29.8Very low27.4Very low216 Ų216118.2 Ų118.285%0.84767%0.67SS**  cis-129.3150.516.6-61.7-105000109.8
1678M25.9Very low27.6Very low106 Ų106113.1 Ų113.152%0.52266%0.663SS.*  cis79.768.327.8-132.4-132.184.100116.8R32R32-M1678 HydrophobicContact CB-SD 4.2Å; R32-M1678 HydrophobicContact CG-SD 3.96Å
1679S28.4Very low27.6Very low108 Ų108112.7 Ų112.776%0.75566%0.66SS**  trans-169146.9149.5530000109.8
1680K29.5Very low27.6Very low183 Ų183115.4 Ų115.480%0.79667%0.671SS**  cis-138.9135.6-6.4-107.4160.2-176.9174.50107.8
1681E25.2Very low27.7Very low145 Ų145113.4 Ų113.468%0.67866%0.662SS**  trans-77.3140.4164.5-77.2160.3-153.300110.5R32R32-E1681 IonicContact CZ-OE1 3.44Å; R32-E1681 IonicContact CZ-OE2 3.65Å; R32-E1681 IonicContact NH2-OE1 3.48Å; R32-E1681 PolarHBondContact NH2-OE1 2.97Å; R32-E1681 IonicContact NH2-OE2 2.72Å; R32-E1681 PolarHBondContact NH2-OE2 2.96Å
1682V28.3Very low27.7Very low140 Ų140116.8 Ų116.885%0.84866%0.656SS**  trans-134.5128.1155.2-179.20000108.1
1683N25.7Very low27.6Very low133 Ų133121 Ų12171%0.71166%0.655SS**  trans-84.2121.5179.9-102.1-50.5000111.4
1684S27.9Very low27.5Very low100 Ų100119.3 Ų119.370%0.69965%0.647SS**  trans-175.1112145.3-80.60000107.5
1685K25.4Very low27.6Very low147 Ų147119.7 Ų119.764%0.63964%0.638SS**  cis81.3141.247.4-152.8-144.6-111.2-179.50110T1739K1685-T1739 HydrophobicContact CB-CG2 4.04Å; K1685-T1739 HydrophobicContact CD-CG2 3.92Å; K1685-T1739 WeakPolarHBondContact CD-OG1 3.49Å; K1685-T1739 HydrophobicContact CG-CG2 4.41Å; K1685-T1739 PolarHBondContact NZ-OG1 2.99Å; K1685-T1739 VanDerWaalsContact NZ-OG1 3.14Å
1686Y27.5Very low27.6Very low114 Ų114121.3 Ų121.345%0.44765%0.647SS.*  trans82.3148.7-157.6-114.8-21.9000118.9P1738 T1739 S1740 P1741Y1686-P1738 HydrophobicContact CD2-CB 4.03Å; Y1686-P1738 WeakPolarHBondContact CD2-O 3.49Å; Y1686-P1738 HydrophobicContact CE2-CB 3.69Å; Y1686-P1738 WeakPolarHBondContact CE2-O 3.27Å; Y1686-T1739 VanDerWaalsContact CD2-CA 3.46Å; Y1686-T1739 VanDerWaalsContact CE2-N 3.29Å; Y1686-S1740 VanDerWaalsContact CD1-CA 3.42Å; Y1686-S1740 VanDerWaalsContact CG-N 3.29Å; Y1686-S1740 VanDerWaalsContact CZ-N 3.33Å; Y1686-P1741 WeakPolarHBondContact CE1-O 3.24Å; Y1686-P1741 WeakPolarHBondContact OH-CD 3.35Å
1687S26.3Very low27.6Very low70 Ų70123.5 Ų123.549%0.4966%0.662SS.*  trans-117-178.9173.457.50000106.7
1688P29Very low27.8Very low102 Ų102118 Ų11866%0.66265%0.653SS**  cis-147.1-154.422.541.8-17.8000115.6
1689T26.5Very low27.9Very low118 Ų118118 Ų11872%0.72466%0.663SS**  trans67117.615539.60000120.5
1690S26.1Very low27.9Very low106 Ų106124 Ų12474%0.74167%0.671SS**  trans-67136.8141-42.80000109.6
1691P29.3Very low27.9Very low99 Ų99119.8 Ų119.864%0.64367%0.665SS**  -113.4164.1112.5-7.927.3000110.2Y1693P1691-Y1693 HydrophobicContact CB-CD2 4.44Å
1692R25.2Very low28.4Very low155 Ų155117.9 Ų117.959%0.58567%0.665SS**  cis68.858.36.8-125.4-175.4-170-135.2-2.9115.7A792A792-R1692 VanDerWaalsContact O-CZ 3.27Å; A792-R1692 PolarHBondContact O-NH1 3.07Å; A792-R1692 PolarHBondContact O-NH2 3.38Å
1693Y26.8Very low28.4Very low205 Ų205115.4 Ų115.480%0.80465%0.654SS**  trans-137.7150.7155.7-115.6-89.8000109.8P1691 P1695P1691-Y1693 HydrophobicContact CB-CD2 4.44Å; Y1693-P1695 HydrophobicContact CD1-CB 4.38Å
1694S26.5Very low28.6Very low86 Ų86118.5 Ų118.560%0.60166%0.661SS**  trans-155.785.5175.754.50000108.8
1695P31Very low28.9Very low70 Ų70118.5 Ų118.546%0.45566%0.659SS.*  trans-98.148.2-16836.8-35.6000116.4D463 Y1693 S1697D463-P1695 WeakPolarHBondContact OD2-CD 3.39Å; D463-P1695 WeakPolarHBondContact OD2-CG 3.03Å; Y1693-P1695 HydrophobicContact CD1-CB 4.38Å; P1695-S1697 PolarHBondContact O-N 2.66Å
1696T30Very low29.1Very low83 Ų83119.2 Ų119.251%0.50966%0.664SS.*  trans-68.773.4-178.9-28.10000115.3D461D461-T1696 HydrophobicContact CB-CG2 3.8Å; D461-T1696 WeakPolarHBondContact OD2-CB 3.33Å; D461-T1696 WeakPolarHBondContact OD2-CG2 3.49Å; D461-T1696 PolarHBondContact OD2-OG1 2.89Å
1697S29.8Very low29.1Very low107 Ų107122 Ų12275%0.74868%0.683SS**  trans-159145.8156-83.20000112.4P1695P1695-S1697 PolarHBondContact O-N 2.66Å
1698P34Very low29.3Very low102 Ų102123.4 Ų123.466%0.66270%0.699SS**  trans-122.3175.4-143.640.2-27.2000116.2
1699S28.9Very low29.3Very low105 Ų105124 Ų12473%0.73471%0.705SS**  trans119.5109.1145.6-48.90000116.5
1700Y27.3Very low29.7Very low234 Ų234123.8 Ų123.892%0.91871%0.706SS**  -166.2154.8116.4-132.6-98.4000113.1
1701S30.5Very low30Very low94 Ų94123.5 Ų123.566%0.65770%0.704SS**  trans-158170.6170.280.20000107.2
1702P33.7Very low30.1Very low106 Ų106125.2 Ų125.269%0.68871%0.713SS**  cis-150.6-176.136.238-13.4000118.7
1703S30.2Very low30.4Very low88 Ų88122.4 Ų122.462%0.61572%0.717SS**  trans75.2111.4136.661.80000124.7
1704K29.9Very low30.5Very low197 Ų197119.9 Ų119.986%0.85772%0.717SS**  74.6163.2122.5-65.9-177.6178.8-178.30119.3
1705P34.1Very low30.6Very low100 Ų100125.8 Ų125.865%0.64973%0.732SS**  -143-174-53.542.7-26.2000114.9
1706H28Very low30.6Very low162 Ų162129.4 Ų129.475%0.7575%0.748SS**  trans82121.8150.4-78.7-50.5000123.7
1707M28.5Very low30.5Very low172 Ų172131.7 Ų131.785%0.84776%0.764SS**  108.4144.2123.1-85.7-179.717900122.6
1708A31Very low30.5Very low100 Ų100130.6 Ų130.683%0.82676%0.762SS**  trans73.898.4157.200000121.1
1709S27.6Very low30.2Very low114 Ų114132 Ų13280%0.79777%0.774SS**  trans-63179.6143.8-37.20000111.2
1710P35.8Very low30Very low114 Ų114132.6 Ų132.674%0.7478%0.775SS**  cis-145.3-167.211.442.7-21.5000117.3
1711S32.3Very low30Very low101 Ų101126.6 Ų126.671%0.70677%0.768SS**  trans100.6106.2140.1690000122.8
1712V30.2Very low29.7Very low135 Ų135132.8 Ų132.882%0.81878%0.778SS**  87.3134.3123.6174.30000121.8
1713S32.6Very low29.5Very low96 Ų96131.6 Ų131.667%0.67177%0.773SS**  trans81.396.4158.160.60000122
1714N28.9Very low29.5Very low151 Ų151132.9 Ų132.981%0.80778%0.779SS**  45.5108.6125.8-54.6-3.8000121.2
1715F28.5Very low29.3Very low210 Ų210127.7 Ų127.792%0.92177%0.767SS**  -160.3167.2125.2-114.8-76.4000111.4
1716N30.4Very low28.9Very low146 Ų146127.5 Ų127.578%0.78177%0.768SS**  trans-75.1143.8-163.7-81.4-35.2000116A1718N1716-A1718 PolarHBondContact O-N 3.15Å
1717P28.5Very low28.7Very low131 Ų131125.6 Ų125.685%0.85177%0.77SS**  trans-88.993.5179.734.9-34000113
1718A29.3Very low28.6Very low84 Ų84123.1 Ų123.169%0.69476%0.761SS**  trans-134.1105.4165.400000110.4N1716 P1720N1716-A1718 PolarHBondContact O-N 3.15Å; A1718-P1720 WeakPolarHBondContact O-CD 3.28Å
1719S27.9Very low28.6Very low131 Ų131129 Ų12992%0.91676%0.763SS**  trans15.4101.9168.6-54.80000118.3
1720P25.6Very low28.7Very low119 Ų119127.9 Ų127.977%0.77376%0.761SS**  trans-136.7141.1132.936.6-24.8000113.8A1718A1718-P1720 WeakPolarHBondContact O-CD 3.28Å
1721S26.2Very low28.6Very low108 Ų108127 Ų12776%0.75576%0.762SS**  trans-72.3126149.351.10000109.2
1722Y23.6Very low28.6Very low223 Ų223128 Ų12888%0.87577%0.765SS**  trans-166.9163.5141.7-122.7-84.5000111.8
1723S30.5Very low28.6Very low82 Ų82129.1 Ų129.157%0.57377%0.766SS**  trans-97.6154.3-17852.70000113.5
1724P29.1Very low28.5Very low115 Ų115129.4 Ų129.475%0.74777%0.766SS**  trans-74.2118.2138.832.3-27.4000107.6
1725S26.7Very low28.4Very low88 Ų88130.6 Ų130.662%0.61577%0.767SS**  58.710468.182.80000111
1726S26Very low28.4Very low95 Ų95130.5 Ų130.566%0.66477%0.766SS**  97.4154.191.4-72.80000110.1N1728S1726-N1728 PolarHBondContact OG-N 3.16Å
1727P24.4Very low28.3Very low123 Ų123127.3 Ų127.380%0.79976%0.755SS**SBendcis-77.8128.435.227.4-36000116.4
1728N25.9Very low28.4Very low120 Ų120126 Ų12664%0.64275%0.746SS**  trans40.6113.6138.8-53.1-11.6000119.6S1726S1726-N1728 PolarHBondContact OG-N 3.16Å
1729Y30.2Very low28.3Very low223 Ų223123.2 Ų123.288%0.87572%0.721SS**  166.395.4111.3-92.4-74.4000106.7
1730A29.4Very low28.2Very low91 Ų91120.4 Ų120.475%0.75270%0.701SS**  96.2144.763.400000112.7
1731A33.9Very low28.4Very low94 Ų94118.6 Ų118.678%0.77769%0.69SS**  trans67.7139.5-175.800000117.1
1732T33.5Very low28.4Very low123 Ų123118.1 Ų118.176%0.75569%0.686SS**  cis-177.9114.1-4725.60000108.7
1733N29.9Very low28.5Very low158 Ų158118.1 Ų118.185%0.84569%0.686SS**  trans55163.1155.6-64.4-4.2000120.5
1734P30Very low28.3Very low103 Ų103119.3 Ų119.367%0.66970%0.695SS**  cis-121.3165.6-21.636.9-22.2000114
1735E26Very low28.2Very low176 Ų176118.8 Ų118.882%0.82269%0.691SS**  trans19.4121.7139.3-51.8172.9129.700120.1
1736F29.5Very low28.3Very low208 Ų208120.7 Ų120.791%0.91270%0.704SS**  -154.7141.6124.9-118.6-76.1000111.9
1737S28Very low28.2Very low78 Ų78121.5 Ų121.555%0.54571%0.71SS.*  trans-72.3129.7-169.762.90000113.8T1739S1737-T1739 PolarHBondContact O-N 2.58Å
1738P30Very low28.5Very low103 Ų103120.6 Ų120.667%0.66970%0.704SS**  trans-71.9101.2172.529.1-32.5000108.8Y1686Y1686-P1738 HydrophobicContact CD2-CB 4.03Å; Y1686-P1738 WeakPolarHBondContact CD2-O 3.49Å; Y1686-P1738 HydrophobicContact CE2-CB 3.69Å; Y1686-P1738 WeakPolarHBondContact CE2-O 3.27Å
1739T28Very low28.5Very low27 Ų27119.6 Ų119.617%0.16671%0.707CS.*  trans-152.9102.5175.761.90000116.1K1685 Y1686 S1737K1685-T1739 HydrophobicContact CB-CG2 4.04Å; K1685-T1739 HydrophobicContact CD-CG2 3.92Å; K1685-T1739 WeakPolarHBondContact CD-OG1 3.49Å; K1685-T1739 HydrophobicContact CG-CG2 4.41Å; K1685-T1739 PolarHBondContact NZ-OG1 2.99Å; K1685-T1739 VanDerWaalsContact NZ-OG1 3.14Å; Y1686-T1739 VanDerWaalsContact CD2-CA 3.46Å; Y1686-T1739 VanDerWaalsContact CE2-N 3.29Å; S1737-T1739 PolarHBondContact O-N 2.58Å
1740S25.3Very low28.4Very low71 Ų71120 Ų12050%0.49771%0.708SS.*  trans66.3116.9-178.4-59.50000115.6Y1686Y1686-S1740 VanDerWaalsContact CD1-CA 3.42Å; Y1686-S1740 VanDerWaalsContact CG-N 3.29Å; Y1686-S1740 VanDerWaalsContact CZ-N 3.33Å
1741P30.5Very low28.3Very low82 Ų82119.6 Ų119.653%0.53270%0.7SS.*  -121.3151.377.536.1-29.4000113.1Y1686Y1686-P1741 WeakPolarHBondContact CE1-O 3.24Å; Y1686-P1741 WeakPolarHBondContact OH-CD 3.35Å
1742S25.4Very low28.2Very low97 Ų97121.4 Ų121.468%0.67870%0.704SS**  cis72.570.141.987.50000115.2
1743Y26.4Very low28.1Very low223 Ų223120.6 Ų120.688%0.87570%0.703SS**  trans-127.2115.4150.6-146.3-96.8000110.6
1744S25.9Very low28.2Very low108 Ų108117.9 Ų117.976%0.75570%0.703SS**  trans-111.7130175.8550000109
1745P27.7Very low28.4Very low104 Ų104118 Ų11868%0.67570%0.704SS**  -148.1131.5124.433.5-16.9000114.2
1746S28Very low28.7Very low127 Ų127121.6 Ų121.689%0.88871%0.71SS**  trans-168.241.1150.636.70000113.1
1747S25.3Very low28.8Very low113 Ų113122.7 Ų122.779%0.7971%0.709SS**  trans-133.8134.1150.1-75.20000107.7
1748P29.1Very low29.1Very low104 Ų104122 Ų12268%0.67572%0.715SS**SBendcis-123.5-171.2-9.232.8-11.8000112.5
1749S25.7Very low29.2Very low99 Ų99122.7 Ų122.769%0.69272%0.722SS**  trans37.2114.5145.760.80000119.8
1750Y27.9Very low29.5Very low230 Ų230128.5 Ų128.590%0.90276%0.757SS**  trans-138.2131.5137.7-122-85.7000110.7
1751S28.4Very low29.8Very low84 Ų84130.4 Ų130.459%0.58777%0.771SS**  trans-78.7138.4169.144.70000109.6S1753S1751-S1753 PolarHBondContact O-N 3.3Å
1752P31.7Very low29.8Very low131 Ų131131.5 Ų131.585%0.85178%0.778SS**  trans-70.1123.5178.328.7-33.5000110.3
1753S31.3Very low29.9Very low106 Ų106135.2 Ų135.274%0.74178%0.782SS**  trans-149.575.6177.5-63.10000111.4S1751S1751-S1753 PolarHBondContact O-N 3.3Å
1754A31.8Very low29.8Very low101 Ų101135 Ų13584%0.83578%0.781SS**  trans64.6151.716600000119.1
1755P34.4Very low29.9Very low107 Ų107134.8 Ų134.870%0.69578%0.78SS**  trans-110.7176.1-176.542.1-34.7000113.5
1756R32Very low29.9Very low251 Ų251135.3 Ų135.395%0.94778%0.783SS**  trans-150.3159.8143.4-112.8166.8-163.8-150.41.5112.3
1757Y32.7Very low30Very low230 Ų230134.8 Ų134.890%0.90277%0.774SS**  trans-100.7160.3-163.4-87.8-110.7000113.7
1758G34.3Very low30.5Very low65 Ų65134.4 Ų134.467%0.6777%0.772SS**  trans120.2154.7139.700000116.9
1759S32Very low30.5Very low117 Ų117133 Ų13382%0.81876%0.762SS**  cis177.390.8-28.239.50000109.5
1760V33.3Very low30.7Very low148 Ų148135.5 Ų135.590%0.89776%0.763SS**  trans-142.3133.2163.4-1700000108.9
1761S30.9Very low30.6Very low111 Ų111132.3 Ų132.378%0.77675%0.751SS**  trans-110.8159.5171.8-47.20000109
1762P31Very low30.5Very low105 Ų105134 Ų13468%0.68274%0.744SS**  -152.2168.591.539.4-22.2000116.3
1763K28.5Very low30.3Very low175 Ų175133 Ų13376%0.76174%0.74SS**  trans45.2109.8143.7-64.6166.9-174.4179.60117.4
1764Y24.2Very low30.3Very low219 Ų219133.7 Ų133.786%0.85975%0.745SS**  cis64.8155.839.8-145.3-85.4000113.8
1765S27.1Very low30Very low104 Ų104133.2 Ų133.273%0.72774%0.736SS**  trans96.8147.9178.376.40000116.9
1766P29.3Very low29.7Very low114 Ų114137.9 Ų137.974%0.7474%0.74SS**  trans-135.8-116.4-151.638.7-14.5000112.5
1767T29Very low29.5Very low116 Ų116133.6 Ų133.671%0.71273%0.728SS**  trans68.2110.416640.10000119.3
1768S36.2Very low29.3Very low106 Ų106125.2 Ų125.274%0.74170%0.701SS**  43.5138.9113-43.50000121.1
1769P29.4Very low29.2Very low73 Ų73127.1 Ų127.147%0.47470%0.701SS.*  trans-132143.3147.2192.5000114.5
1770E29.3Very low29Very low152 Ų152125 Ų12571%0.7169%0.687SS**  trans-103.9144.2-175-50.7164.2122.600112.8
1771Y25.8Very low28.7Very low163 Ų163122.1 Ų122.164%0.63967%0.673SS**  trans-138.3106.8150.4-101.5-101.4000107.8T1778Y1771-T1778 HydrophobicContact CE2-CG2 4.36Å; Y1771-T1778 VanDerWaalsContact OH-CG2 3.31Å; Y1771-T1778 WeakPolarHBondContact OH-CG2 3.29Å
1772R25.9Very low28.7Very low120 Ų120122.8 Ų122.845%0.45368%0.675SS.*  92.7101.858.4-81.7172.2129.1-141.16.4113.3T1778R1772-T1778 VanDerWaalsContact NE-N 3.19Å; R1772-T1778 PolarHBondContact NH2-OG1 2.78Å; R1772-T1778 VanDerWaalsContact NH2-OG1 3.07Å
1773S27.3Very low28.4Very low110 Ų110122.6 Ų122.677%0.76968%0.676SS**SBendtrans-121.7129.4134.647.10000107.5
1774S31.1Very low28.4Very low121 Ų121124.9 Ų124.985%0.84668%0.682SS**SBendtrans35.2105.9173.8520000117.9
1775S26.6Very low28.6Very low91 Ų91118 Ų11864%0.63667%0.666SS**SBendcis-164.7153.913.267.40000112
1776R27.3Very low28.8Very low205 Ų205118 Ų11877%0.77466%0.663SS**SBendtrans52.9112.7169.8-70.4-176.7-88-166.4-6.7116.1
1777F29.2Very low28.7Very low160 Ų160118.2 Ų118.270%0.70266%0.662SS**  cis-154.8120.817.1-86.6-95000107.1
1778T28.6Very low29.2Very low55 Ų55117.4 Ų117.434%0.33766%0.662SS.*  32.6133.39831.40000116.9Y1771 R1772Y1771-T1778 HydrophobicContact CE2-CG2 4.36Å; Y1771-T1778 VanDerWaalsContact OH-CG2 3.31Å; Y1771-T1778 WeakPolarHBondContact OH-CG2 3.29Å; R1772-T1778 VanDerWaalsContact NE-N 3.19Å; R1772-T1778 PolarHBondContact NH2-OG1 2.78Å; R1772-T1778 VanDerWaalsContact NH2-OG1 3.07Å
1779P30.4Very low28.8Very low104 Ų104117.9 Ų117.968%0.67566%0.662SS**  cis-132.4-16411.344.2-27.2000114.9
1780S28.6Very low28.6Very low74 Ų74121.1 Ų121.152%0.51767%0.671SS.*  trans-96.3135.6-176.352.80000116
1781S26.9Very low28.4Very low87 Ų87123.6 Ų123.661%0.60868%0.675SS**  trans48.8116.2153.459.80000118.9
1782P30.2Very low28.3Very low124 Ų124120.1 Ų120.181%0.80568%0.68SS**  -144.4160.5113.938.7-26000116.4
1783S24.8Very low28.4Very low102 Ų102118.7 Ų118.771%0.71369%0.694SS**  trans-69138.2166.550.90000114.5
1784Y29.6Very low28.4Very low223 Ų223118.8 Ų118.888%0.87570%0.695SS**  trans-168.7117149.2-106.1-79.9000106.7
1785S28.3Very low28.2Very low75 Ų75117.2 Ų117.252%0.52468%0.684SS.*  cis80.378.134.787.10000116.5T1787S1785-T1787 PolarHBondContact O-N 3.27Å
1786P30.8Very low28.2Very low102 Ų102117.8 Ų117.866%0.66269%0.685SS**  trans-93.563162.437-32.2000111.4
1787T27.6Very low27.9Very low120 Ų120115.9 Ų115.974%0.73669%0.685SS**  trans-78.6115.9168.1-16.40000108.8S1785S1785-T1787 PolarHBondContact O-N 3.27Å
1788S39.8Very low27.7Very low99 Ų99118.7 Ų118.769%0.69269%0.693SS**  trans57.8105.7171.6-55.80000116.8
1789P28.2Very low27.5Very low116 Ų116119.9 Ų119.975%0.75371%0.708SS**  -122.5133.9112.70.219.9000109.8
1790Q24.8Very low27.1Very low141 Ų141119.4 Ų119.466%0.65971%0.713SS**  cis62.3114.218.6-141.8-167.614.400114.3
1791Y24.4Very low27.1Very low203 Ų203120.7 Ų120.780%0.79672%0.722SS**  trans65.3161.8-177.5-53-76.4000114.1
1792A25Very low27.1Very low90 Ų90121.2 Ų121.274%0.74473%0.725SS**  cis-140.7171.67.300000114
1793A27.4Very low27.8Very low91 Ų91121 Ų12175%0.75272%0.724SS**  trans-40.6127.2174.700000117
1794S26.3Very low28.2Very low112 Ų112126.2 Ų126.278%0.78373%0.728SS**  trans-149.211113941.70000105.8
1795S27.3Very low28.6Very low88 Ų88125.8 Ų125.862%0.61573%0.726SS**  cis60116.840.4-41.60000109.5
1796P26.3Very low29.2Very low103 Ų103125.4 Ų125.467%0.66974%0.735SS**  cis-83.6167.631.439-41000113.1
1797Q21.8Very low29.6Very low164 Ų164129.7 Ų129.777%0.76675%0.751SS**  56.3135.451.5-61.6165.4-3500109.6
1798Y24.9Very low30.3Very low219 Ų219127.2 Ų127.286%0.85975%0.749SS**  cis-134.5161.441.4-89.2-102.6000113.1
1799A25.2Very low30.3Very low80 Ų80129.3 Ų129.366%0.66176%0.758SS**  trans-81.9146172.500000111.9
1800A21.9Very low30.8Very low94 Ų94129.2 Ų129.278%0.77776%0.757SS**  trans-116-2.9173.300000113.9S1802A1800-S1802 VanDerWaalsContact C-N 3.33Å; A1800-S1802 WeakPolarHBondContact O-CB 3.25Å; A1800-S1802 PolarHBondContact O-N 3.41Å; A1800-S1802 PolarHBondContact O-OG 2.92Å
1801S26.7Very low31.3Very low101 Ų101128 Ų12871%0.70676%0.764SS**  trans-74.385.3140.155.30000106.6
1802S28Very low31.8Very low98 Ų98129.5 Ų129.569%0.68577%0.77SS**  44.514062.871.10000114.3A1800A1800-S1802 VanDerWaalsContact C-N 3.33Å; A1800-S1802 WeakPolarHBondContact O-CB 3.25Å; A1800-S1802 PolarHBondContact O-N 3.41Å; A1800-S1802 PolarHBondContact O-OG 2.92Å
1803P44.2Very low32Very low119 Ų119129.2 Ų129.277%0.77377%0.768SS**  cis-123.5159.76.240.6-27.7000115.7
1804R33.9Very low32.6Very low213 Ų213131.4 Ų131.480%0.80478%0.775SS**SBendtrans-172.6108.3136.1-107.6-177.1-179.2-165-0.1112.1
1805Y37.5Very low32.9Very low213 Ų213131.2 Ų131.284%0.83577%0.773SS**  trans58.1125.1165.7-47-75.9000118
1806G42.3Very low33.3Very low68 Ų68133 Ų13370%0.70178%0.782SS**  cis177.7169.2-5.900000112.8
1807L38.5Very low33.7Very low192 Ų192133.7 Ų133.7100%1.00579%0.787SS**  trans70.4129.2-179.5-53168.6000115.7
1808G41.1Very low34Very low67 Ų67134.6 Ų134.669%0.69179%0.791SS**  trans-178.2-64.2-179.700000120.6
1809T41.1Very low34.2Very low144 Ų144135.5 Ų135.588%0.88380%0.795SS**  trans75.3175.7-175.380.30000115.5
1810P37.9Very low34.5Very low113 Ų113135.9 Ų135.973%0.73479%0.792SS**  -142.9148.3-102.438.8-17.6000120
1811S36.2Very low34.9Very low116 Ų116137.8 Ų137.881%0.81180%0.797SS**  trans172.7127.9140.354.70000117.3
1812Y35.1Very low35.1Very low234 Ų234137.6 Ų137.692%0.91880%0.795SS**  trans46.3153147.8-86.2-94.1000125.8
1813A29.2Very low35.3Very low85 Ų85138.3 Ų138.370%0.70280%0.801SS**  trans-153.6160.5175.800000111.7
1814P39.1Very low34.9Very low137 Ų137137.9 Ų137.989%0.8980%0.798SS**  -145.9-178.5120.539-23.6000115.6
1815S32.2Very low34.6Very low107 Ų107138.4 Ų138.475%0.74880%0.8SS**  trans-104.7151.2-165.756.50000116.6
1816P35.7Very low34.1Very low125 Ų125139.7 Ų139.781%0.81281%0.805SS**PPolyproline II helixtrans-98.8123.4167.534.9-28.7000113.5
1817P35.7Very low33.4Very low119 Ų119140.9 Ų140.977%0.77380%0.803SS**PPolyproline II helixtrans-90.4165.8174.735-34.4000114.1
1818H27.1Very low33.1Very low183 Ų183136.9 Ų136.985%0.84779%0.788SS**PPolyproline II helixtrans-55.6146.4170.8-72.4-108.8000113.2
1819Y30.2Very low32.5Very low237 Ų237138.9 Ų138.993%0.92979%0.787SS**  trans-150.9150.5139.1-117.4-77.9000113
1820S31.1Very low32Very low88 Ų88137.1 Ų137.162%0.61578%0.781SS**  trans-110.1141.9-174.957.90000112.9S1822S1820-S1822 PolarHBondContact O-N 3.19Å
1821P30.1Very low31.9Very low134 Ų134136 Ų13687%0.8777%0.773SS**  trans-78.3115.6-174.730.7-34.7000112.9
1822S31.4Very low31.5Very low97 Ų97135.2 Ų135.268%0.67876%0.755SS**  trans-158126.5163.964.40000113.6S1820S1820-S1822 PolarHBondContact O-N 3.19Å
1823S30.6Very low31.2Very low114 Ų114134.9 Ų134.980%0.79775%0.754SS**  trans75170.1168.4-34.20000115.2
1824P37.6Very low31.3Very low110 Ų110134.3 Ų134.371%0.71475%0.745SS**  -140.4176.4-92.639.9-20.8000115.9
1825R26.8Very low31.3Very low224 Ų224133.7 Ų133.785%0.84574%0.741SS**  trans57.1105.4165.1-65.3-178.3175.2-160.4-2.9116.1
1826Y27.8Very low31.2Very low240 Ų240133.6 Ų133.694%0.94174%0.736SS**  trans-137.5153.2144.4-119-101.5000110
1827S26.6Very low31Very low93 Ų93132.8 Ų132.865%0.6573%0.733SS**  trans-123.8173.316653.60000106.4
1828P32.3Very low31.1Very low107 Ų107132.8 Ų132.870%0.69573%0.733SS**  cis-126.2-146-527.6-2.6000110.1
1829T29.6Very low31.2Very low109 Ų109131.2 Ų131.267%0.66973%0.728SS**  trans35.7118.814450.80000121.2
1830S29.2Very low31.1Very low108 Ų108127.8 Ų127.876%0.75572%0.718SS**  trans73171.2131.1-38.60000115.9
1831P36.9Very low31Very low88 Ų88129.7 Ų129.757%0.57172%0.721SS**  -135.6-161.1-111.334.2-9.1000112.7
1832K26.9Very low31.1Very low100 Ų100126.9 Ų126.944%0.43572%0.717SS.*  trans56118.9159.3-59.6158.4-169.5170.70116.8S1236 D1237S1236-K1832 VanDerWaalsContact CB-NZ 3.35Å; S1236-K1832 PolarHBondContact O-NZ 3.25Å; S1236-K1832 WeakPolarHBondContact OG-CE 3.47Å; S1236-K1832 PolarHBondContact OG-NZ 2.86Å; D1237-K1832 IonicContact OD1-NZ 2.69Å; D1237-K1832 PolarHBondContact OD1-NZ 3.15Å; D1237-K1832 IonicContact OD2-NZ 2.95Å; D1237-K1832 PolarHBondContact OD2-NZ 2.82Å
1833Y30Very low31Very low227 Ų227128.6 Ų128.689%0.8972%0.723SS**  -159.2134.7122.5-115-73.2000110.8
1834S31Very low31.2Very low74 Ų74128 Ų12852%0.51772%0.72SS.*  trans-72.8167155.853.90000109.5T1836S1834-T1836 PolarHBondContact OG-OG1 2.77Å
1835P39Very low30.8Very low123 Ų123130 Ų13080%0.79972%0.724SS**  -116.4143.398.4-10.529.9000110.7
1836T30.4Very low31.1Very low106 Ų106130.5 Ų130.565%0.6573%0.728SS**  cis67.714236.6-36.10000113.4S1834S1834-T1836 PolarHBondContact OG-OG1 2.77Å
1837S31.1Very low31.1Very low107 Ų107123.5 Ų123.575%0.74871%0.713SS**  trans98.3137.1159-57.10000118.3
1838P36.9Very low31.7Very low120 Ų120124.4 Ų124.478%0.77972%0.717SS**  trans-130.6-104.2-149.632.9-7.8000111.5
1839M29.8Very low31.6Very low150 Ų150124.9 Ų124.974%0.73972%0.718SS**  trans73.8141.3178.5-45.5-170.679.600115
1840F27.8Very low31.4Very low164 Ų164125.3 Ų125.372%0.71973%0.726SS**  cis-151.8173.5-6.8-140.3-140000112.8
1841N28.5Very low31.7Very low128 Ų128125.7 Ų125.768%0.68473%0.726SS**  trans-38145.6173.5-57.8-37.2000116.1
1842G33.7Very low31.4Very low75 Ų75131.7 Ų131.777%0.77374%0.737SS**  trans-157.430.2179.800000115.6
1843T29.3Very low31.5Very low133 Ų133136.6 Ų136.682%0.81675%0.754SS**  trans-0.9116.7162.953.10000119
1844S34.2Very low31.6Very low103 Ų103130.7 Ų130.772%0.7274%0.744SS**  -177.2128.6126.244.80000114.2
1845N29.7Very low31.4Very low150 Ų150131.3 Ų131.380%0.80275%0.753SS**  trans34.4110.7135-48.1-13.9000119.4
1846Y33.5Very low31Very low236 Ų236130 Ų13093%0.92575%0.747SS**  -156120.9112.7-122.8-87.1000111.5
1847S26.7Very low31.1Very low92 Ų92130.1 Ų130.164%0.64375%0.752SS**  trans-82.2168.6166.844.70000109.7
1848P38.5Very low31.2Very low112 Ų112130.4 Ų130.473%0.72775%0.751SS**  cis-123.7165.923.847-33.2000113
1849T30Very low30.8Very low117 Ų117128.5 Ų128.572%0.71874%0.741SS**  cis58.4134.449.251.90000116.2
1850S27.4Very low30.8Very low118 Ų118131.7 Ų131.783%0.82575%0.746SS**  trans74.4152.5174.4-49.20000117.2
1851P35.1Very low30.8Very low116 Ų116128 Ų12875%0.75374%0.741SS**  cis-108.5171-240.9-32.3000114.2
1852R30.4Very low31Very low215 Ų215126.8 Ų126.881%0.81174%0.74SS**  trans-69.9-170.2154.5-72.7176.7164.9176.3-5.2110
1853Y29.3Very low30.7Very low202 Ų202131.2 Ų131.279%0.79274%0.741SS**  trans111.4146.6155.5-56.8-63.9000115.1
1854P32.3Very low30.7Very low104 Ų104129.7 Ų129.768%0.67574%0.735SS**  -143-178.2-76.634.4-13.6000114.6
1855A26.8Very low30.6Very low87 Ų87130.1 Ų130.172%0.71974%0.736SS**  trans64.6176.614600000118.2
1856S29.5Very low30.7Very low95 Ų95128.4 Ų128.466%0.66473%0.731SS**  trans37.9108.3161.450.20000117.6
1857S33.5Very low30.5Very low108 Ų108128 Ų12876%0.75573%0.729SS**  55.5138.665.791.90000113
1858P33.6Very low30.6Very low113 Ų113126.8 Ų126.873%0.73473%0.731SS**  -135.316171.340.3-28.9000115.5
1859S28.2Very low30.2Very low81 Ų81130.1 Ų130.157%0.56674%0.737SS**  trans13.7133.6147.666.10000118.8
1860Y29.1Very low30.3Very low217 Ų217130 Ų13085%0.85174%0.736SS**  cis-143.1149.933.1-88.1-114.4000108.8
1861S27.3Very low30.4Very low86 Ų86129 Ų12960%0.60173%0.729SS**  cis54.3128480.50000118.4
1862P32.1Very low30.3Very low103 Ų103131.9 Ų131.967%0.66973%0.732SS**  cis-130.9-141.8-29.131.9-8.7000109.1
1863Q28.2Very low30.2Very low168 Ų168126.6 Ų126.679%0.78573%0.728SS**  trans72.8120.5169-58.3167.29.300114.4
1864S28.8Very low30.4Very low101 Ų101127.2 Ų127.271%0.70673%0.731SS**  cis69.8151.742.486.70000114.4
1865P32.5Very low30.2Very low112 Ų112127.5 Ų127.573%0.72774%0.735SS**  cis-103.1-153.5-1416.78.1000108.4
1866T32.5Very low30.5Very low114 Ų114129.1 Ų129.170%0.69974%0.739SS**  cis-162.8115.525.5-40.20000106.2
1867Y28.1Very low30.4Very low228 Ų228128.8 Ų128.889%0.89474%0.741SS**  50.9107.585-107.2-76.5000115.9
1868G29.4Very low30.1Very low65 Ų65127.8 Ų127.867%0.6773%0.734SS**  trans74.9160.7167.300000115.8
1869Q29.6Very low30.2Very low182 Ų182128 Ų12885%0.8574%0.736SS**  cis-160.5-165.4-11.9-134.1175.52300108.8
1870T33.5Very low30Very low116 Ų116130.4 Ų130.471%0.71274%0.738SS**  trans52.886.3162.953.30000118
1871S28.6Very low30Very low97 Ų97131.1 Ų131.168%0.67874%0.741SS**  29.9114118.960.60000119.3
1872Q34Very low30Very low175 Ų175131 Ų13182%0.81874%0.737SS**  trans-154.5101.1132.4-118.215589.100113.5Y1874Q1872-Y1874 PolarHBondContact O-N 2.59Å
1873S28.2Very low30Very low104 Ų104131.9 Ų131.973%0.72774%0.742SS**  trans-8109.4142.851.70000117.5
1874Y32.2Very low30.1Very low216 Ų216130.4 Ų130.485%0.84775%0.745SS**  trans-147.1102.1149.1-100.7-72.6000111.3Q1872Q1872-Y1874 PolarHBondContact O-N 2.59Å
1875S28.9Very low30Very low110 Ų110130.4 Ų130.477%0.76975%0.745SS**  trans-77.2146.5143.549.90000107.9
1876P32Very low30.1Very low121 Ų121131.2 Ų131.279%0.78675%0.75SS**  -139.8168.5101.337.5-25.1000114.8
1877A28.1Very low30Very low87 Ų87133.1 Ų133.172%0.71976%0.755SS**  trans-59.1178.6-178.600000116.5
1878S28.3Very low30.1Very low87 Ų87129.9 Ų129.961%0.60875%0.75SS**  trans79.3154.4166.5-63.90000114.7Q1880S1878-Q1880 VanDerWaalsContact CB-N 3.26Å; S1878-Q1880 PolarHBondContact OG-N 3.06Å
1879P34.2Very low30.3Very low118 Ų118133.2 Ų133.277%0.76675%0.753SS**  cis-80.1111.931.730-36.4000115.7Y1881P1879-Y1881 HydrophobicContact CB-CD2 4.47Å
1880Q25.5Very low30.2Very low132 Ų132129.4 Ų129.462%0.61775%0.746SS**  trans-63.3125135.7-70.7-177.2-5.800107.6S1878 T1882S1878-Q1880 VanDerWaalsContact CB-N 3.26Å; S1878-Q1880 PolarHBondContact OG-N 3.06Å; Q1880-T1882 VanDerWaalsContact C-N 3.3Å; Q1880-T1882 HydrophobicContact CB-CG2 4.07Å; Q1880-T1882 WeakPolarHBondContact CB-OG1 3Å; Q1880-T1882 HydrophobicContact CG-CG2 4.21Å; Q1880-T1882 VanDerWaalsContact OE1-CG2 3.28Å; Q1880-T1882 PolarHBondContact OE1-OG1 3.29Å
1881Y28.7Very low30.2Very low232 Ų232129.1 Ų129.191%0.9175%0.746SS**  trans-95.374.3145-100.1-79.9000107.6P1879P1879-Y1881 HydrophobicContact CB-CD2 4.47Å
1882T26.1Very low30.4Very low83 Ų83132.3 Ų132.351%0.50976%0.755SS.*  trans-71.8151.5168.723.80000110Q1880Q1880-T1882 VanDerWaalsContact C-N 3.3Å; Q1880-T1882 HydrophobicContact CB-CG2 4.07Å; Q1880-T1882 WeakPolarHBondContact CB-OG1 3Å; Q1880-T1882 HydrophobicContact CG-CG2 4.21Å; Q1880-T1882 VanDerWaalsContact OE1-CG2 3.28Å; Q1880-T1882 PolarHBondContact OE1-OG1 3.29Å
1883P32.1Very low30.3Very low121 Ų121129.2 Ų129.279%0.78675%0.75SS**  trans-86.8129.6-171.632.7-34000112.7
1884T29.9Very low30.5Very low137 Ų137131 Ų13184%0.8475%0.751SS**  trans-153.1137.8159.290000111.4
1885S27.9Very low30.4Very low102 Ų102125.2 Ų125.271%0.71374%0.739SS**  trans-73.9163.6176.4-38.50000112.1
1886P35Very low30.5Very low129 Ų129126.1 Ų126.184%0.83874%0.735SS**  -109.8147.7114.331-34.2000111.5
1887L29Very low30.3Very low154 Ų154127.8 Ų127.881%0.80673%0.732SS**  trans-76.9141.4176.1-58.792.1000110.4
1888M31.7Very low30.5Very low160 Ų160133.6 Ų133.679%0.78875%0.745SS**  -166.2139.4109.2-90-48.1-177.400111.3
1889D31.8Very low30.6Very low134 Ų134136 Ų13672%0.71775%0.751SS**  trans45.586.3151-54.7-15.3000121.1
1890S29.2Very low30.4Very low102 Ų102136.9 Ų136.971%0.71375%0.751SS**  37.8160.9101.779.50000121.7
1891P32.3Very low30.6Very low110 Ų110137.2 Ų137.271%0.71476%0.758SS**  cis-138.7163.3-47.738.5-23.4000112.8
1892L33.5Very low30.8Very low164 Ų164131.6 Ų131.686%0.85975%0.749SS**  trans170.2132.3134.9-95.2163.8000110
1893P30.9Very low31.1Very low110 Ų110134.6 Ų134.671%0.71476%0.764SS**  trans-91.4154.9167.136.6-31.6000111.1
1894D33.2Very low31Very low141 Ų141135.5 Ų135.575%0.75476%0.763SS**  trans-157.9117153.8-115.9-36.3000114.2
1895T30Very low31.1Very low95 Ų95135.4 Ų135.458%0.58376%0.757SS**  trans53.4149.9133.245.40000125.8V569V569-T1895 HydrophobicContact CG1-CG2 4.3Å
1896D31.2Very low31.3Very low129 Ų129138 Ų13869%0.6976%0.76SS**  trans93.3134.2156.9-68.1-1.2000122.1
1897E27.9Very low31Very low156 Ų156138.8 Ų138.873%0.72975%0.754SS**  trans-105.7-176.8-167.1-53.7-179.111700113.6
1898E31.1Very low31.2Very low210 Ų210137.4 Ų137.498%0.98175%0.749SS**  trans-113.40156.8-64.3-160.7128.900111.1R917R917-E1898 PolarHBondContact NH1-O 3.36Å; R917-E1898 PolarHBondContact NH1-OXT 3.33Å

Retrieved 1,898 of 1,898 residues in 1767.1 ms (Link to these results)

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