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Isoform l of Serine/threonine-protein kinase WNK AlphaSync

Canonical isoform description: Serine/threonine-protein kinase component of the WNK3-SPAK/OSR1 kinase cascade, which plays an important role in the regulation of electrolyte homeostasis and regulatory volume increase in response to hyperosmotic stress1. Wnk-1 mediates regulatory volume increase in response to hyperosmotic stress by acting as a molecular crowding sensor, which senses cell shrinkage and mediates formation of a membraneless compartment by undergoing liquid-liquid phase separation2. The membraneless compartment concentrates wnk-1 with its substrates (By similarity). Phosphorylates gck-33. Plays a role in osmotic stress responses during which it increases gpdh-1 translation, likely by phosphorylating gck-34. Essential for larval development and the tubular formation of the excretory canals5.

AlphaFold DB , UniProt , Accession X5M5N0-13 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 1,790 aa.

>WNK_CAEEL|X5M5N0-13|wnk-1
MGSHWLSEQERSRLEAVQQDWRRTRPMKFQWTSKKRPDDPTTSSPSTVSISNALENSTPSLNNVSSITNSSSPFSLSSAATSTASAIIPFTSNVATNHPHLNHHVSRIPQAIVTGGTNGSLPPLLISPTSAAAATPLISGKAGPMSPSTGSPINVAATVLQNAVSSPQHSIFDRSRLNKIPPNTSLASSSSPSDAANNDKPIQQRHSILSNVRTLTQAMVNDGPRTLTGDDMDKMVSEEERARKEQEKREEEEKAARRIDVEDDFDAQEKPIDKSKNGRFLKFDEELGRGSFKTVFRGLDTETGVAVAWCELQESKLNKTERQRFREEAEMLKDLQHPNIVRFYDYWESADLCGKRKYIVLVTELMTSGTLKMYLKRFKRINIKVLKSWCRQILKGLSFLHTRNPPVIHRDLKCDNIFITGTTGSVKIGDLGLATLKNKSFAKSVIGTPEFMAPEMYEEMYDESVDVYAFGMCLLEMVTGEYPYSECMNPATIYRKVISGVKPECFSRIPAQYPEIREIIDRCIRVRREERSTVKQLLVDDFFTPEDLIGIRVEIKNRDADLNDLNVEIQMQLRVYDEKKRKQYRFKENEGLQFAFDIENDSPDEVVQQMIEQQHIPDEDTRMITKLIKDKVDAFRRDRDHRLLEIKRAKEEEERIREEAEIKEELRLRAEAKEKEKERLEKERLEKKAAAAAAANPNPTPIPPTPATPHSSAQQQPIPPPLSTQTSAEIQQSAQQPSVPVTMIANIPAMSPTSAQPQPVLSPTSAAVPVPTTMIHVPKPSEIPVQNVATTAAPVAANNVPPSPAPFKTEDIQTPTLAQNTVPRTISTDASGLVINTPASIASPSPAPSATDVASTTAPVTPAPTPTTTTDGGAAAASTTTENKEEKRKSNKRKVVMEILGCDESRNFALVSCRLDTSHKSVTFQFAPGTDKPCTIATKLLAEDCLLKVHVHIVEAQLGEVIQLINSDGKKGVGTKLATVLDPNSTEPPTITAVMPKDSSAATASNTKPKIEIEKTPPTRDASQEPNNVQVTNVRKVSQESNAESVQSIPRPGGIIVMSPTNQTDSAPPPTGAAAKPSRFQVTKSADPIATPISSSISTATVIPIVAATPTNITSEPVIVQPITAQVITHLATPSPVSHSLSSNSSPSATTHSNMSSIQSTTSVPGRRFTVQPVSQAESGISSSISTPHPEPTPAITSCPPPVPSVPPVVSNGTLNLEVAPKQTPSATNQNVDTQHSSSTASTATLVSETPATVHVTPISVPAPVQEPLVIDHHSDVLTQLDSELRKCFQVSGVSHSASPSTVVESLTSMTPQTIPLACQTVPASIGQAPAVIAAAHAASLIPNASVPQSPSRLDAETGLAGLHEKLEALKMEQDRREDMGDDAIGTTTTDGKDEIPIDTLKGLAEALGKVIHADGRETTPMPPDHPDLTDASTQQLISPSNPDVLTTMSSAVEGSASSTMIEDIDASTSAVDASMMNSMPPGAQNSTDQIPAAMTLSMDQECAQSMTSSITRNTTGTKLATFENLETALSSTLGTHIRQPNAPSSRDETTAPMTPSFTNERIGGGGGGGATSFSIGTPPSHSPFPVSECDYDLKGQMDLESEDPEVIQMIVRHRMEQHKLLEKQRVEIERLRSKIRVPRATSVNPEMIGDDEADTTLTALQSALGNASLSLPASPPPNTETTKVNTTVIPSDVLATRMTMSQSSTKSSNVSVSSRHRDNQSAPPRHHHHQPHPPHHPHLQNHYHPPQNHTSATAPCPSAMVQLQAVSNNNVNPLHQPPHPVSSQIPPQA
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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M30.7Very low56.7Low254 Ų254124.1 Ų124.1100%1.25163%0.627SS**  0158.80-68.5179.7-88.100108.4
2G34.3Very low58.2Low57 Ų57119.4 Ų119.459%0.58862%0.615SS**  trans125.621.817600000117.7H4G2-H4 PolarHBondContact O-N 3.13Å
3S38.8Very low59.4Low115 Ų115124.1 Ų124.180%0.80462%0.62SS**  trans-100.755.1-172.558.10000114.2
4H49.5Very low60.3Low116 Ų116120.1 Ų120.154%0.53760%0.601SS.*  trans-150.445.8178.5-149.5-68.3000114.9G2 L6G2-H4 PolarHBondContact O-N 3.13Å; H4-L6 VanDerWaalsContact C-N 3.3Å; H4-L6 PolarHBondContact CE1-O 3.3Å; H4-L6 PolarHBondContact ND1-O 3.02Å; H4-L6 PolarHBondContact O-N 2.77Å
5W52.2Low61.4Low180 Ų180119.2 Ų119.268%0.68259%0.594SS**SBendtrans-76.9-7.8-179.7-79.5101.2000115.9D547W5-D547 WeakPolarHBondContact CH2-OD1 3.31Å; W5-D547 HydrophobicContact CZ2-CB 3.91Å; W5-D547 WeakPolarHBondContact CZ2-OD1 3.06Å
6L65.4Low62.5Low70 Ų70115.3 Ų115.337%0.36659%0.586SS.*SBendtrans-114.6138.6171.7-67.9162000107.2H4 E10 R11H4-L6 VanDerWaalsContact C-N 3.3Å; H4-L6 PolarHBondContact CE1-O 3.3Å; H4-L6 PolarHBondContact ND1-O 3.02Å; H4-L6 PolarHBondContact O-N 2.77Å; L6-E10 HydrophobicContact CB-CB 4.19Å; L6-E10 HydrophobicContact CD2-CB 3.93Å; L6-R11 HydrophobicContact CB-CB 4.31Å
7S75.6Confident63.2Low50 Ų50114.4 Ų114.435%0.3559%0.587SS.*  trans-59.9158.3164.563.40000110.4Q9 E10 R11S7-Q9 PolarHBondContact O-N 3.38Å; S7-E10 VanDerWaalsContact CB-OE2 3.24Å; S7-E10 WeakPolarHBondContact CB-OE2 3.03Å; S7-E10 PolarHBondContact N-OE2 3.13Å; S7-E10 PolarHBondContact O-N 3Å; S7-E10 VanDerWaalsContact O-N 3.08Å; S7-E10 VanDerWaalsContact OG-CD 3.31Å; S7-E10 VanDerWaalsContact OG-CG 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.26Å; S7-E10 PolarHBondContact OG-N 3.2Å; S7-E10 VanDerWaalsContact OG-N 3.12Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; S7-R11 WeakPolarHBondContact O-CB 3.16Å; S7-R11 PolarHBondContact O-N 2.79Å
8E66.8Low63.8Low153 Ų153111.3 Ų111.372%0.71557%0.57SS**Hα-helixtrans-57.1-33.1173.8-69-170.2121.800111.7R11 S12E8-R11 PolarHBondContact O-N 3.28Å; E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 3.12Å
9Q67.4Low64.2Low135 Ų135110.1 Ų110.163%0.63156%0.562SS**Hα-helixtrans-66-41.9176.2-157.569.421.200112.1S7 R13S7-Q9 PolarHBondContact O-N 3.38Å; Q9-R13 WeakPolarHBondContact O-CB 3.4Å; Q9-R13 VanDerWaalsContact O-CG 3.23Å; Q9-R13 WeakPolarHBondContact O-CG 3.41Å; Q9-R13 PolarHBondContact O-N 2.84Å
10E69.7Low64.7Low98 Ų98109.3 Ų109.346%0.45856%0.559SS.*Hα-helixtrans-72.9-39.2175.7-69.8160.2122.300111.9L6 S7 S12 R13 L14L6-E10 HydrophobicContact CB-CB 4.19Å; L6-E10 HydrophobicContact CD2-CB 3.93Å; S7-E10 VanDerWaalsContact CB-OE2 3.24Å; S7-E10 WeakPolarHBondContact CB-OE2 3.03Å; S7-E10 PolarHBondContact N-OE2 3.13Å; S7-E10 PolarHBondContact O-N 3Å; S7-E10 VanDerWaalsContact O-N 3.08Å; S7-E10 VanDerWaalsContact OG-CD 3.31Å; S7-E10 VanDerWaalsContact OG-CG 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.26Å; S7-E10 PolarHBondContact OG-N 3.2Å; S7-E10 VanDerWaalsContact OG-N 3.12Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; E10-S12 VanDerWaalsContact C-N 3.35Å; E10-R13 CarbonylContact O-C 3.58Å; E10-R13 PolarHBondContact O-N 3.15Å; E10-L14 WeakPolarHBondContact O-CB 3.37Å; E10-L14 PolarHBondContact O-N 3Å
11R73Confident64.7Low137 Ų137111.6 Ų111.652%0.51756%0.56SS.*Hα-helixtrans-61.5-43.8174.3-171.4177.5-177.3172.50.9111L6 S7 E8 L14 E15L6-R11 HydrophobicContact CB-CB 4.31Å; S7-R11 WeakPolarHBondContact O-CB 3.16Å; S7-R11 PolarHBondContact O-N 2.79Å; E8-R11 PolarHBondContact O-N 3.28Å; R11-L14 PolarHBondContact O-N 3.29Å; R11-E15 PolarHBondContact O-N 3.41Å
12S74.7Confident66.6Low68 Ų68107 Ų10748%0.47653%0.529SS..Hα-helixtrans-65.8-36.7174.3-172.70000112.1E8 E10 A16E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 3.12Å; E10-S12 VanDerWaalsContact C-N 3.35Å; S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.23Å; S12-A16 PolarHBondContact O-N 2.82Å
13R73.6Confident68.1Low180 Ų180113 Ų11368%0.67953%0.534SS*.Hα-helixtrans-66.1-38.6170.4-73.1172.488.71767.2112.1Q9 E10 A16 V17Q9-R13 WeakPolarHBondContact O-CB 3.4Å; Q9-R13 VanDerWaalsContact O-CG 3.23Å; Q9-R13 WeakPolarHBondContact O-CG 3.41Å; Q9-R13 PolarHBondContact O-N 2.84Å; E10-R13 CarbonylContact O-C 3.58Å; E10-R13 PolarHBondContact O-N 3.15Å; R13-A16 PolarHBondContact O-N 2.8Å; R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.94Å
14L72.3Confident69.2Low68 Ų68111.3 Ų111.336%0.35652%0.519SS..Hα-helixtrans-67.7-41.6176.3-133.6104.9000111.3E10 R11 V17 Q18E10-L14 WeakPolarHBondContact O-CB 3.37Å; E10-L14 PolarHBondContact O-N 3Å; R11-L14 PolarHBondContact O-N 3.29Å; L14-V17 PolarHBondContact O-N 3.01Å; L14-Q18 WeakPolarHBondContact O-CB 3.5Å; L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.13Å
15E76.9Confident69.4Low107 Ų107113.1 Ų113.150%0.552%0.521SS..Hα-helixtrans-66.1-37.9172.2-76.4-168.8132.400112.2R11 Q18 Q19R11-E15 PolarHBondContact O-N 3.41Å; E15-Q18 PolarHBondContact O-N 3.13Å; E15-Q19 VanDerWaalsContact O-CB 3.28Å; E15-Q19 WeakPolarHBondContact O-CB 3.31Å; E15-Q19 VanDerWaalsContact O-CG 3.32Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 2.99Å
16A78.7Confident68.9Low56 Ų56110.1 Ų110.146%0.46353%0.525SS..Hα-helixtrans-63.1-45174.100000111.2S12 R13 Q19 D20S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.23Å; S12-A16 PolarHBondContact O-N 2.82Å; R13-A16 PolarHBondContact O-N 2.8Å; A16-Q19 PolarHBondContact O-N 3.03Å; A16-D20 WeakPolarHBondContact O-CB 3.38Å; A16-D20 PolarHBondContact O-N 3.42Å
17V74.9Confident67.5Low100 Ų100114.9 Ų114.961%0.60655%0.547SS*.Hα-helixtrans-65.4-40.7175170.90000111.6R13 L14 D20 W21R13-V17 WeakPolarHBondContact O-CG2 3.5Å; R13-V17 PolarHBondContact O-N 2.94Å; L14-V17 PolarHBondContact O-N 3.01Å; V17-D20 PolarHBondContact O-N 3.18Å; V17-W21 VanDerWaalsContact O-CB 3.27Å; V17-W21 WeakPolarHBondContact O-CB 3.33Å; V17-W21 PolarHBondContact O-N 3.47Å
18Q73.8Confident65.7Low60 Ų60118 Ų11828%0.2855%0.554SS.*Hα-helixtrans-68-35.8174.2-75.4-170.81900112.7L14 E15 R22L14-Q18 WeakPolarHBondContact O-CB 3.5Å; L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.13Å; E15-Q18 PolarHBondContact O-N 3.13Å; Q18-R22 WeakPolarHBondContact O-CB 3.41Å; Q18-R22 WeakPolarHBondContact O-CG 3.24Å; Q18-R22 PolarHBondContact O-N 3.37Å
19Q71.3Confident64.1Low88 Ų88119.2 Ų119.241%0.41156%0.558SS.*Hα-helixtrans-67.8-42173.6-80.3-165.144.100111.1E15 A16 R22 R23E15-Q19 VanDerWaalsContact O-CB 3.28Å; E15-Q19 WeakPolarHBondContact O-CB 3.31Å; E15-Q19 VanDerWaalsContact O-CG 3.32Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 2.99Å; A16-Q19 PolarHBondContact O-N 3.03Å; Q19-R22 CarbonylContact O-C 3.16Å; Q19-R22 PolarHBondContact O-N 3.37Å; Q19-R23 VanDerWaalsContact O-CB 3.32Å; Q19-R23 WeakPolarHBondContact O-CB 3.48Å; Q19-R23 WeakPolarHBondContact O-CD 3.49Å; Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 3.15Å
20D74.5Confident62.3Low94 Ų94121.1 Ų121.150%0.50357%0.567SS.*Hα-helixtrans-66.3-43.4177.7-161.847.8000111A16 V17 R22 R23 T24A16-D20 WeakPolarHBondContact O-CB 3.38Å; A16-D20 PolarHBondContact O-N 3.42Å; V17-D20 PolarHBondContact O-N 3.18Å; D20-R22 VanDerWaalsContact C-N 3.3Å; D20-R22 PolarHBondContact O-N 3Å; D20-R23 CarbonylContact O-C 3.57Å; D20-R23 PolarHBondContact O-N 2.91Å; D20-T24 WeakPolarHBondContact O-CB 3.43Å; D20-T24 WeakPolarHBondContact O-CG2 3.1Å; D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.27Å
21W64.5Low60.3Low157 Ų157126.5 Ų126.560%0.59558%0.583SS**Hα-helixtrans-60.5-34.5171.9-169.879.6000113.3V17 T24V17-W21 VanDerWaalsContact O-CB 3.27Å; V17-W21 WeakPolarHBondContact O-CB 3.33Å; V17-W21 PolarHBondContact O-N 3.47Å; W21-T24 WeakPolarHBondContact CA-OG1 3.33Å
22R70.9Confident58.4Low158 Ų158126.1 Ų126.160%0.59660%0.596SS**Hα-helixtrans-75.3-25.2171.7-73.5171.8-170.7165.49113.5Q18 Q19 D20Q18-R22 WeakPolarHBondContact O-CB 3.41Å; Q18-R22 WeakPolarHBondContact O-CG 3.24Å; Q18-R22 PolarHBondContact O-N 3.37Å; Q19-R22 CarbonylContact O-C 3.16Å; Q19-R22 PolarHBondContact O-N 3.37Å; D20-R22 VanDerWaalsContact C-N 3.3Å; D20-R22 PolarHBondContact O-N 3Å
23R66.2Low56.3Low183 Ų183126.9 Ų126.969%0.69160%0.601SS**Hα-helixtrans-89.7-21.2179.9-73.1164.7-171.7-112.47.4113.4Q19 D20Q19-R23 VanDerWaalsContact O-CB 3.32Å; Q19-R23 WeakPolarHBondContact O-CB 3.48Å; Q19-R23 WeakPolarHBondContact O-CD 3.49Å; Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 3.15Å; D20-R23 CarbonylContact O-C 3.57Å; D20-R23 PolarHBondContact O-N 2.91Å
24T61.5Low54.1Low79 Ų79128.2 Ų128.249%0.48561%0.612SS.*Hα-helixtrans-94.5-13.6-179.5480000113.6D20 W21D20-T24 WeakPolarHBondContact O-CB 3.43Å; D20-T24 WeakPolarHBondContact O-CG2 3.1Å; D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.27Å; W21-T24 WeakPolarHBondContact CA-OG1 3.33Å
25R53.7Low52.1Low155 Ų155134 Ų13459%0.58563%0.634SS**SBendtrans-68.7130.7164.8-84-174.9171.7-113.5-1.3111M27R25-M27 PolarHBondContact O-N 3.44Å
26P41.4Very low49.8Very low117 Ų117138.6 Ų138.676%0.7665%0.647SS**  trans-60.9125.7165.4-21.533.6000110.9K28P26-K28 VanDerWaalsContact C-N 3.31Å; P26-K28 PolarHBondContact O-N 3.23Å
27M35.9Very low47.7Very low170 Ų170142 Ų14284%0.83766%0.664SS**  trans-91.552.5175.6-88.4-82.1-17000111.2R25 F29R25-M27 PolarHBondContact O-N 3.44Å; M27-F29 PolarHBondContact O-N 3.19Å
28K37.3Very low45.8Very low114 Ų114143.7 Ų143.750%0.49667%0.67SS.*  trans-82.360.2175-101.5-176170-1750111.6P26 D263 D266P26-K28 VanDerWaalsContact C-N 3.31Å; P26-K28 PolarHBondContact O-N 3.23Å; K28-D263 IonicContact NZ-OD1 3.72Å; K28-D263 PolarHBondContact NZ-OD1 2.87Å; K28-D266 HydrophobicContact CD-CB 4.44Å; K28-D266 VanDerWaalsContact CD-CG 3.49Å; K28-D266 WeakPolarHBondContact CD-OD1 3.44Å; K28-D266 IonicContact NZ-OD1 2.85Å; K28-D266 IonicContact NZ-OD2 2.9Å; K28-D266 PolarHBondContact NZ-OD2 3.28Å
29F33.2Very low43.9Very low180 Ų180147.4 Ų147.479%0.78969%0.692SS**  trans-15248.1160.5-122.4-72.3000112.3M27 W31M27-F29 PolarHBondContact O-N 3.19Å; F29-W31 PolarHBondContact O-N 2.98Å
30Q30Very low42.4Very low175 Ų175148.9 Ų148.982%0.81871%0.709SS**  trans-73.698.5172.9-168.917352.600109.8T32Q30-T32 PolarHBondContact O-N 3.35Å
31W29.1Very low40.5Very low210 Ų210149.4 Ų149.480%0.79572%0.716SS**  trans-52109.1167.8-105.732.5000109.6F29 S33F29-W31 PolarHBondContact O-N 2.98Å; W31-S33 PolarHBondContact O-N 3.03Å
32T31.7Very low39.1Very low130 Ų130148.4 Ų148.480%0.79873%0.727SS**  trans-73.168.116843.10000109.3Q30 K34Q30-T32 PolarHBondContact O-N 3.35Å; T32-K34 PolarHBondContact O-N 2.71Å
33S30.7Very low37.4Very low84 Ų84146 Ų14659%0.58774%0.735SS**  trans-54.6101.2169.5-74.40000108.3W31 K35W31-S33 PolarHBondContact O-N 3.03Å; S33-K35 PolarHBondContact O-N 2.96Å
34K28.3Very low36Very low207 Ų207142.5 Ų142.590%0.974%0.738SS**  trans-73.862.4-176.6-164.2170.7-175.2171.90110.1T32 R36T32-K34 PolarHBondContact O-N 2.71Å; K34-R36 PolarHBondContact O-N 2.86Å
35K28.8Very low35.2Very low189 Ų189144.7 Ų144.782%0.82275%0.754SS**  trans-56.4137169.8-88.2-167.1170.3-170.80108.2S33S33-K35 PolarHBondContact O-N 2.96Å
36R29.4Very low34.3Very low204 Ų204142.3 Ų142.377%0.7776%0.761SS**  trans-60.7142.5173-61.5174.8179.3-178.4-2.3108.6K34 D38K34-R36 PolarHBondContact O-N 2.86Å; R36-D38 PolarHBondContact O-N 2.81Å
37P35.6Very low34.1Very low127 Ų127142.9 Ų142.983%0.82576%0.762SS**  trans-64.3110.3145.2-2.620.5000105.8
38D34.9Very low34.1Very low137 Ų137140.3 Ų140.373%0.73376%0.756SS**  trans-74.6137.9170.5-66.6-52000108.8R36 P40R36-D38 PolarHBondContact O-N 2.81Å; D38-P40 WeakPolarHBondContact O-CD 3.49Å
39D33.3Very low34.1Very low137 Ų137139.9 Ų139.973%0.73377%0.767SS**  trans-96.9112.7-158.7-17518.4000112.7T41D39-T41 PolarHBondContact O-N 3.48Å
40P39.4Very low34.2Very low120 Ų120138.2 Ų138.278%0.77977%0.765SS**  trans-80.994.4173.132.7-31.9000110.5D38D38-P40 WeakPolarHBondContact O-CD 3.49Å
41T34.6Very low34.6Very low105 Ų105134.8 Ų134.864%0.64476%0.76SS**  trans-58.4161-17855.20000115.7D39D39-T41 PolarHBondContact O-N 3.48Å
42T34.6Very low34.9Very low136 Ų136131.7 Ų131.783%0.83476%0.76SS**  trans71.9137.917262.80000116.4
43S36.3Very low35.1Very low107 Ų107129.4 Ų129.475%0.74875%0.754SS**  cis-165.1171.9-8.349.40000108.5
44S35.9Very low35.4Very low109 Ų109132.3 Ų132.376%0.76276%0.762SS**  cis-159.6169.412.32.80000110.4
45P44.3Very low35.8Very low126 Ų126129.8 Ų129.882%0.81875%0.753SS**  trans-111.7164.7-164.440.9-34.9000117.2
46S36.7Very low36.1Very low105 Ų105126.8 Ų126.873%0.73475%0.746SS**  trans-161.8114.115552.80000111.6
47T36.4Very low36.5Very low128 Ų128121.7 Ų121.779%0.78574%0.742SS**  65.1136.9106.1-4.20000115.2
48V36.4Very low36.5Very low116 Ų116121.8 Ų121.870%0.70374%0.741SS**  cis-151.4125.330.8178.40000108.2I50V48-I50 HydrophobicContact CG1-CG1 4.32Å
49S36.3Very low36.9Very low105 Ų105120.8 Ų120.873%0.73474%0.741SS**  60.4162.988.7-44.50000116.2
50I35.4Very low37Very low145 Ų145119.3 Ų119.374%0.74474%0.742SS**  cis-157128.122.9-41.2156.8000113.6V48V48-I50 HydrophobicContact CG1-CG1 4.32Å
51S38.1Very low36.8Very low103 Ų103120.4 Ų120.472%0.7274%0.741SS**  trans67.6169.6151.678.80000122.1
52N35.2Very low36.9Very low146 Ų146121.8 Ų121.878%0.78174%0.744SS**  cis-160.8156.48.6-141.9-1.9000117.4
53A36.4Very low36.9Very low81 Ų81122.4 Ų122.467%0.66974%0.742SS**  trans63.8151.9143.400000125
54L37.9Very low36.9Very low146 Ų146122.9 Ų122.976%0.76474%0.74SS**  cis-174.7163.7-28.7-150.767.7000113.5
55E35.5Very low36.9Very low153 Ų153123 Ų12372%0.71574%0.741SS**  trans75.7151.7155.8-55.5-147.9167.800122.9
56N36.5Very low36.5Very low126 Ų126121.8 Ų121.867%0.67474%0.735SS**  cis-167.8157.3-19.7-104-20.7000116.9
57S36.1Very low36.4Very low97 Ų97123.7 Ų123.768%0.67874%0.736SS**  trans72.594143.5-58.40000128.6
58T36.1Very low36.4Very low130 Ų130123.3 Ų123.380%0.79873%0.733SS**  28.9171.5107.366.20000125.3
59P44Very low36.2Very low115 Ų115122.8 Ų122.875%0.74773%0.727SS**  -147.6-167.9-54.845.1-25.2000117.3
60S35.7Very low36.2Very low107 Ų107119.7 Ų119.775%0.74871%0.705SS**  trans116.1142.9133.2-119.40000126.7
61L35Very low36.3Very low143 Ų143116.1 Ų116.175%0.74969%0.693SS**  trans92.4107.2147.5-68.7166.9000127.1
62N35.5Very low36Very low134 Ų134116.9 Ų116.972%0.71770%0.698SS**  48.7124.6129.9-60.97.6000126.6
63N35.9Very low36Very low148 Ų148115 Ų11579%0.79169%0.694SS**  176128.8100.4-103.8-5.8000118.3
64V35.5Very low35.8Very low118 Ų118119.7 Ų119.772%0.71570%0.7SS**  trans59.1112.5130.7-177.60000124.4
65S35.7Very low35.4Very low110 Ų110116.2 Ų116.277%0.76969%0.688SS**  trans46.7130.3138.2-51.10000122.4
66S35.7Very low35.1Very low101 Ų101115.4 Ų115.471%0.70669%0.687SS**  173.7155.757.147.50000113.8
67I35.3Very low34.8Very low146 Ų146113.4 Ų113.475%0.74968%0.684SS**  trans55.496.4149.4-63165.5000117.4
68T35.1Very low34.4Very low119 Ų119112 Ų11273%0.7367%0.673SS**  57134.184.367.50000115.8
69N33.8Very low34.1Very low106 Ų106108.4 Ų108.457%0.56766%0.657SS**  cis-160.8161.412.6-143.12.7000114.1T1751 S1752N69-T1751 PolarHBondContact ND2-OG1 3.24Å; N69-S1752 PolarHBondContact ND2-OG 3.27Å
70S36.7Very low33.4Very low40 Ų40107.2 Ų107.228%0.2866%0.657SS.*  trans110.2120.3132.4-1520000125.4H1750 T1751S70-H1750 WeakPolarHBondContact CB-CD2 3.48Å; S70-H1750 PolarHBondContact O-CD2 3.28Å; S70-H1750 VanDerWaalsContact OG-CB 3.28Å; S70-H1750 WeakPolarHBondContact OG-CB 3.35Å; S70-H1750 PolarHBondContact OG-CD2 3.28Å; S70-T1751 WeakPolarHBondContact CB-OG1 3.47Å; S70-T1751 WeakPolarHBondContact OG-CB 3.07Å; S70-T1751 WeakPolarHBondContact OG-CG2 3.37Å; S70-T1751 PolarHBondContact OG-OG1 3.18Å
71S36.2Very low33.2Very low70 Ų70108 Ų10849%0.4966%0.657SS.*  trans44.1109.513672.20000123.7H1750S71-H1750 PolarHBondContact O-NE2 3.31Å; S71-H1750 PolarHBondContact OG-CD2 3.48Å; S71-H1750 PolarHBondContact OG-CE1 2.81Å; S71-H1750 PolarHBondContact OG-ND1 3.12Å; S71-H1750 PolarHBondContact OG-NE2 3.07Å; S71-H1750 VanDerWaalsContact OG-NE2 3.09Å
72S32.6Very low33Very low118 Ų118106.1 Ų106.183%0.82566%0.656SS**  -149.1-170.6104.780.30000108.2
73P35.5Very low32.8Very low107 Ų107105.7 Ų105.770%0.69566%0.659SS**  trans-113.7-170.6-137.932.9-14.1000116.3
74F31.3Very low32.7Very low179 Ų179102.6 Ų102.679%0.78565%0.654SS**  trans93.7132.2169.1-82.7-84.7000121
75S29.8Very low32.5Very low74 Ų74102.2 Ų102.252%0.51766%0.656SS.*  trans84.2125.7139.3-70.60000123.3
76L29.2Very low32.3Very low135 Ų135101.2 Ų101.271%0.70766%0.655SS**  trans71.1105.7139.6-68.3167.6000120.2G1569L76-G1569 WeakPolarHBondContact O-CA 3.38Å; L76-G1569 PolarHBondContact O-N 2.92Å
77S29.4Very low32.1Very low85 Ų85103.6 Ų103.659%0.59466%0.658SS**  trans61.5167.8140.156.50000117.3G1568 G1569S77-G1568 CarbonylContact O-C 3.58Å; S77-G1568 VanDerWaalsContact O-CA 3.29Å; S77-G1568 WeakPolarHBondContact O-CA 3.35Å; S77-G1569 PolarHBondContact O-N 2.9Å; S77-G1569 VanDerWaalsContact O-N 3.14Å
78S28.4Very low32Very low66 Ų66103.6 Ų103.646%0.46266%0.658SS.*  cis-165.7-175.2-29.951.30000108.3G1567 G1568S78-G1567 CarbonylContact C-O 3.57Å; S78-G1567 VanDerWaalsContact C-O 3.23Å; S78-G1567 PolarHBondContact N-O 3.24Å; S78-G1567 PolarHBondContact OG-N 3.13Å; S78-G1567 PolarHBondContact OG-O 3.07Å; S78-G1568 VanDerWaalsContact N-CA 3.29Å
79A29.1Very low32.1Very low56 Ų56102.5 Ų102.546%0.46365%0.653SS.*  trans57.1102.6153.200000121.2G1566A79-G1566 VanDerWaalsContact CB-C 3.45Å; A79-G1566 VanDerWaalsContact CB-O 3.3Å; A79-G1566 WeakPolarHBondContact CB-O 3.16Å
80A30.2Very low32Very low90 Ų90106 Ų10674%0.74466%0.663SS**  74.7166.7126.600000118.1
81T30.6Very low31.7Very low122 Ų122109.6 Ų109.675%0.74868%0.684SS**  cis-148.7149.56.7-31.20000111.6
82S32.4Very low31.6Very low104 Ų104111.4 Ų111.473%0.72770%0.696SS**  trans65.2171.4148.1-82.90000118
83T31.6Very low31.4Very low125 Ų125113.3 Ų113.377%0.76770%0.697SS**  cis-147.2156.510.9-22.40000112.6
84A32.5Very low31.2Very low83 Ų83114.8 Ų114.869%0.68670%0.704SS**  trans70.2154.2141.600000120.3
85S31.1Very low31.2Very low110 Ų110110.1 Ų110.177%0.76970%0.699SS**  cis-173.5163.3-23.8-96.30000109.9
86A32.9Very low31.2Very low89 Ų89112.1 Ų112.174%0.73671%0.708SS**  trans70.5154.515000000117.8
87I31.3Very low31.4Very low152 Ų152112.4 Ų112.478%0.77971%0.71SS**  cis-153.7157.4-14.8-117.1167.1000110.3
88I32.8Very low31.5Very low146 Ų146115.4 Ų115.475%0.74971%0.714SS**  trans-37.2177.2160.516.2168.1000115.8
89P37.9Very low32Very low96 Ų96117.8 Ų117.862%0.62373%0.728SS**  cis-148.9-164.210.518.913.1000117.9
90F31.3Very low32Very low178 Ų178121.1 Ų121.178%0.78173%0.734SS**  trans86.792.8145.5-79.1-65.6000124.5
91T29Very low32Very low116 Ų116124 Ų12471%0.71274%0.736SS**  70.4156.3118.551.90000126.9
92S35.3Very low31.9Very low108 Ų108123.4 Ų123.476%0.75573%0.729SS**  trans97119.6155.770.90000115.6
93N27.7Very low31.7Very low158 Ų158125.4 Ų125.485%0.84573%0.726SS**  cis91.9157.539.8-82.61.8000113.9
94V32Very low31.4Very low139 Ų139127.4 Ų127.484%0.84273%0.727SS**  trans80.288.4-178.7-170.80000111.8
95A30.2Very low31.1Very low81 Ų81128.7 Ų128.767%0.66973%0.726SS**  102.2155.872.400000110.8
96T30.8Very low30.9Very low116 Ų116128.4 Ų128.471%0.71272%0.724SS**  cis-154.2168.312.3-18.70000111.1
97N32.1Very low30.5Very low141 Ų141134.9 Ų134.975%0.75473%0.729SS**  trans68.480152.4-61.5-16.8000119.8
98H33Very low30.6Very low147 Ų147134.1 Ų134.168%0.68173%0.725SS**  -4.7145.7104.7-83.4-60.5000116.9H100H98-H100 AromaticContact CE1-CD2 3.73Å; H98-H100 AromaticContact CE1-NE2 3.73Å; H98-H100 AromaticContact CG-CD2 3.72Å; H98-H100 AromaticContact ND1-CD2 3.33Å; H98-H100 PolarHBondContact ND1-CD2 2.75Å; H98-H100 VanDerWaalsContact ND1-CD2 3.33Å; H98-H100 AromaticContact ND1-NE2 3.84Å
99P38.8Very low30.7Very low116 Ų116133 Ų13375%0.75373%0.727SS**  -122.7151.559.844.6-36.4000113
100H29.6Very low30.3Very low126 Ų126136.5 Ų136.558%0.58374%0.735SS**  47.8127.166.9-75.7-75.9000110.8H98H98-H100 AromaticContact CE1-CD2 3.73Å; H98-H100 AromaticContact CE1-NE2 3.73Å; H98-H100 AromaticContact CG-CD2 3.72Å; H98-H100 AromaticContact ND1-CD2 3.33Å; H98-H100 PolarHBondContact ND1-CD2 2.75Å; H98-H100 VanDerWaalsContact ND1-CD2 3.33Å; H98-H100 AromaticContact ND1-NE2 3.84Å
101L30.3Very low30.1Very low150 Ų150131.9 Ų131.979%0.78573%0.73SS**  cis-136.4145.836.7-87.990.2000109.5
102N26.5Very low29.9Very low111 Ų111134.1 Ų134.159%0.59474%0.736SS**  78.3136.752.3-150.921.5000113.4
103H28.6Very low29.6Very low146 Ų146134.5 Ų134.568%0.67673%0.733SS**  trans67.7108.2164.8-69.2-50.7000122.5
104H26.3Very low29.7Very low167 Ų167133.6 Ų133.677%0.77373%0.734SS**  79.2165.3106.6-144.2-107.7000118.4
105V25.8Very low29.7Very low110 Ų110130.9 Ų130.967%0.66773%0.734SS**  trans67.1108.7169.8-166.80000117.7
106S26.5Very low29.9Very low104 Ų104130 Ų13073%0.72773%0.733SS**  18.2153.9126.9-39.40000122.7
107R24.8Very low29.8Very low224 Ų224130.5 Ų130.585%0.84574%0.736SS**  trans86.4110.9165.8-52.6175.3-179.7179.80.5114.4
108I34.1Very low29.7Very low137 Ų137131.6 Ų131.670%0.70374%0.742SS**  48.610275.3-51.9172.4000113.3Q110I108-Q110 HydrophobicContact CG2-CB 4.39Å; I108-Q110 HydrophobicContact CG2-CG 4.04Å
109P34.7Very low29.8Very low121 Ų121127.8 Ų127.879%0.78674%0.743SS**  -83.9129.3126.432.3-25.8000108.5
110Q28.6Very low29.3Very low170 Ų170127.8 Ų127.879%0.79475%0.745SS**  cis58.8127.527.9-81.6-168.310.200113.7I108I108-Q110 HydrophobicContact CG2-CB 4.39Å; I108-Q110 HydrophobicContact CG2-CG 4.04Å
111A27Very low29.2Very low82 Ų82129.3 Ų129.368%0.67876%0.757SS**  cis-159-151.7-000000110.7
112I26.6Very low29.4Very low162 Ų162127.3 Ų127.383%0.83175%0.753SS**  trans83.2117.8164.3-56.1170.8000114
113V28.6Very low30.1Very low116 Ų116127.6 Ų127.670%0.70376%0.761SS**  cis-159.3150.4-397.50000113.9
114T29.7Very low29.9Very low140 Ų140128 Ų12886%0.85977%0.767SS**  trans52.8146.1163.257.90000122
115G30.6Very low30.1Very low82 Ų82127 Ų12785%0.84577%0.767SS**  trans-176.3-31.9162.500000120.9
116G34.4Very low30.1Very low62 Ų62129.2 Ų129.264%0.63977%0.773SS**  trans94.9135.3-175.100000113.8
117T30.3Very low30.8Very low127 Ų127129.9 Ų129.978%0.77978%0.778SS**  73.1129.354.665.40000113.6
118N30.2Very low31.3Very low163 Ų163124.9 Ų124.987%0.87277%0.774SS**  cis-159.81650.1-93.2-22.2000109.7
119G33.3Very low30.9Very low68 Ų68124.2 Ų124.270%0.70178%0.777SS**  trans130.1103.8176.700000112.1
120S28.6Very low30.6Very low115 Ų115123.9 Ų123.980%0.80478%0.777SS**  cis61.4123.532.3-880000112.4
121L28.1Very low30.4Very low158 Ų158120.1 Ų120.183%0.82778%0.775SS**  cis-145.7-179.710.8-94163.1000110.6
122P34.2Very low30.3Very low109 Ų109120.9 Ų120.971%0.70878%0.782SS**  trans-115.3-153.9-146.550.5-41.1000112.7
123P41.9Very low30.6Very low117 Ų117118.2 Ų118.276%0.7678%0.784SS**  trans-82.3167.8-166.537.8-38.4000113.7
124L24.8Very low30.8Very low154 Ų154117.5 Ų117.581%0.80679%0.79SS**  trans-166.8127.8146.5-96160.7000107.4
125L30.1Very low31Very low147 Ų147116.5 Ų116.577%0.7778%0.784SS**  38.2124.6106.7-78.4175.4000116.8
126I24.5Very low31.4Very low156 Ų156118.3 Ų118.380%0.878%0.78SS**  177.6124.2127.2-90.8152.3000109
127S42.7Very low31.1Very low117 Ų117121.9 Ų121.982%0.81878%0.784SS**  trans-88142.5161.7-48.80000108.8
128P33.9Very low31.2Very low119 Ų119123.3 Ų123.377%0.77379%0.786SS**  -149.8178.1121.536-17.6000116.1
129T25.3Very low31Very low123 Ų123120.4 Ų120.476%0.75578%0.778SS**  trans-72.9147.7-174.345.70000118
130S28.4Very low30.9Very low115 Ų115121 Ų12180%0.80478%0.784SS**  trans76.4164.7135.376.50000122.5
131A24.4Very low30.9Very low91 Ų91125.5 Ų125.575%0.75279%0.789SS**  trans85.291.8160.400000120.8
132A26.2Very low30.9Very low98 Ų98122.6 Ų122.681%0.8179%0.788SS**  61.8105.9121.500000123
133A32.3Very low30.8Very low106 Ų106120.9 Ų120.988%0.87679%0.79SS**  73.2141115.800000122.9
134A32.5Very low30.5Very low100 Ų100120.5 Ų120.583%0.82679%0.788SS**  trans-138.8-172.4170.800000110.7
135T33.6Very low30.8Very low119 Ų119121.1 Ų121.173%0.7379%0.789SS**  trans-137.4168.4-168.950.30000111.4L137T135-L137 HydrophobicContact CG2-CD1 4.27Å
136P39.8Very low31.3Very low120 Ų120119.4 Ų119.478%0.77979%0.789SS**  cis-122.4166.56.441-26.9000114.6
137L27Very low31.8Very low137 Ų137117.7 Ų117.772%0.71779%0.788SS**  cis89.283.914.5-148.3178.9000116.4T135T135-L137 HydrophobicContact CG2-CD1 4.27Å
138I32.6Very low31.3Very low158 Ų158117 Ų11781%0.8178%0.783SS**  trans-154.7119.2151-90.3154.9000103.1
139S26.7Very low31.1Very low102 Ų102118.6 Ų118.671%0.71379%0.791SS**  cis83.999.340.884.60000114.1
140G30.9Very low31.2Very low81 Ų81116.3 Ų116.384%0.83579%0.792SS**  trans-170.6113179.500000113.6
141K29.2Very low31.6Very low209 Ų209116.3 Ų116.391%0.90979%0.792SS**  trans-37.7143.2178.9-68.4167.4176.9176.30115.2
142A28.4Very low32.1Very low96 Ų96117 Ų11779%0.79379%0.789SS**  cis113.896.824.800000112.7
143G32.3Very low32.2Very low74 Ų74119 Ų11976%0.76378%0.784SS**  trans72.5-170.9156.100000118
144P35.4Very low32.2Very low109 Ų109120.6 Ų120.671%0.70878%0.778SS**  cis-130.4149.9-2.930.8-10.9000116.4
145M30.2Very low32Very low167 Ų167122.8 Ų122.882%0.82378%0.781SS**  trans59.7116.7136.9-61.5157.965.900120.5
146S41Very low31.7Very low110 Ų110121 Ų12177%0.76978%0.778SS**  30135.3101.7-45.50000117.7
147P34.5Very low31Very low121 Ų121119.3 Ų119.379%0.78677%0.774SS**  -145.2172.964.840.8-23.9000117.7
148S32.1Very low31.1Very low103 Ų103119 Ų11972%0.7278%0.778SS**  trans-49.4150.1165.153.40000115.6
149T30.2Very low30.9Very low152 Ų152116.9 Ų116.993%0.93377%0.772SS**  -172.6168.212716.70000109.1
150G27.8Very low31.1Very low75 Ų75118.6 Ų118.677%0.77377%0.773SS**  trans110.327.7156.500000119.8
151S36.8Very low31.1Very low114 Ų114121.7 Ų121.780%0.79777%0.765SS**  trans-54.9158.4139.5-51.40000108.6
152P35.3Very low30.9Very low106 Ų106118.9 Ų118.969%0.68876%0.76SS**  cis-159.1-175.936.844.3-21.5000119.3
153I27.4Very low30.8Very low139 Ų139118.3 Ų118.371%0.71376%0.755SS**  trans66122.8135.9-80161.2000121
154N33.7Very low30.6Very low141 Ų141121.1 Ų121.175%0.75476%0.758SS**  trans0.3147.2138.3-37.9-34.4000119
155V27.2Very low30.1Very low146 Ų146120.9 Ų120.989%0.88576%0.758SS**  -178.3141.6117.1141.40000108.3
156A26.3Very low30.3Very low81 Ų81118.4 Ų118.467%0.66976%0.758SS**  cis-164.4177.8-25.700000108.4
157A26.8Very low30.2Very low84 Ų84118.4 Ų118.469%0.69476%0.755SS**  trans34.7117.4148.200000120.2
158T29Very low30Very low130 Ų130121.1 Ų121.180%0.79876%0.757SS**  -178.697106.6-720000107.3
159V28.1Very low30Very low114 Ų114123.9 Ų123.969%0.69176%0.759SS**  71.488.678.9172.40000111.9
160L31.3Very low30.4Very low138 Ų138120.7 Ų120.772%0.72374%0.742SS**  179.9126.8110.3-88.9166.4000114.1
161Q29.3Very low30.7Very low147 Ų147123.8 Ų123.869%0.68774%0.74SS**  trans61.2117.8138.4-72.2172.3-5.600123.9
162N26.7Very low30.4Very low149 Ų149125.5 Ų125.580%0.79773%0.733SS**  trans72.1151.4132.7-53.5-8.6000118.4
163A26.5Very low29.9Very low84 Ų84127.9 Ų127.969%0.69474%0.74SS**  cis-157140.7-14.600000106.2
164V26.6Very low30Very low134 Ų134130 Ų13081%0.81274%0.739SS**  70.5114.864.8177.90000114.4
165S26.1Very low29.6Very low103 Ų103128.3 Ų128.372%0.7274%0.738SS**  trans73.1101.3155.9-62.40000123
166S34.3Very low29.5Very low116 Ų116131.8 Ų131.881%0.81174%0.735SS**  58.8-154.9119-37.80000119
167P38.5Very low29.5Very low109 Ų109135 Ų13571%0.70874%0.74SS**  trans-94.6177.6-152.442.7-40.5000113.5
168Q29.3Very low29.7Very low179 Ų179137.4 Ų137.484%0.83674%0.742SS**  trans-157.8165135.1-102.2-38.2-35.900114.3
169H32.1Very low29.7Very low161 Ų161139.1 Ų139.175%0.74574%0.738SS**  trans-125.9154.7178.3-153.6-78.4000109.3
170S40.3Very low29.8Very low85 Ų85140.5 Ų140.559%0.59474%0.74SS**  trans73.5135148-106.40000122.4
171I33.8Very low30Very low139 Ų139139.2 Ų139.271%0.71374%0.74SS**  92.5123.6127.1-87.8171.5000122.2
172F30.7Very low30.4Very low150 Ų150136.6 Ų136.666%0.65874%0.735SS**  trans66.7122.9154.1-81.5-134.2000120.1R174F172-R174 HydrophobicContact CD1-CG 4.06Å; F172-R174 HydrophobicContact CE1-CG 4.11Å
173D24.2Very low30.7Very low157 Ų157136.2 Ų136.284%0.8473%0.733SS**  -138.6174.888.3-153.4-5000111.4
174R28.8Very low30.8Very low184 Ų184137.1 Ų137.169%0.69473%0.731SS**  trans-109.3165.1-165.3-67.4166.4147.1-171.9-4.9112.9F172F172-R174 HydrophobicContact CD1-CG 4.06Å; F172-R174 HydrophobicContact CE1-CG 4.11Å
175S26.2Very low30.8Very low104 Ų104135.5 Ų135.573%0.72773%0.725SS**  trans70.4149.1160.811.10000115.6
176R25.8Very low30.9Very low220 Ų220138.5 Ų138.583%0.8373%0.732SS**  cis-139.5160.212.4-101.1123.7-176.3-100.32.7111.3
177L26Very low30.6Very low148 Ų148137.7 Ų137.778%0.77573%0.733SS**  trans9.4118.6144-72.155.8000115.3
178N29.3Very low30.2Very low135 Ų135137.4 Ų137.472%0.72273%0.733SS**  -168120.975.6-101.3-31.2000115.2
179K29Very low30.5Very low166 Ų166133.5 Ų133.572%0.72273%0.725SS**  68103.3104.9-161.6172.9-179.4-170.10120.1
180I31.9Very low30.7Very low143 Ų143130.7 Ų130.773%0.73372%0.724SS**  80.5142.4129.7-81.4176000119.2
181P35.4Very low30.2Very low110 Ų110131.7 Ų131.771%0.71473%0.731SS**  cis-141.9-140.8-17.148.2-27000113.5
182P37.9Very low30.3Very low92 Ų92130.2 Ų130.260%0.59773%0.731SS**  trans-136.2-171.4-13535.7-7.8000116.3
183N32Very low30.1Very low141 Ų141128 Ų12875%0.75473%0.733SS**  172.7118.8122.8-83.2-10.3000107.7
184T27.8Very low30.5Very low104 Ų104127.9 Ų127.964%0.63873%0.733SS**  70.182.95173.20000115.7
185S27Very low30.6Very low99 Ų99123.6 Ų123.669%0.69274%0.737SS**  37.1136.6111.166.80000121.3
186L27.8Very low31Very low167 Ų167122.6 Ų122.687%0.87474%0.735SS**  trans77.8132.3142.5-102.281000121.4
187A29.2Very low31.4Very low99 Ų99118.8 Ų118.882%0.81873%0.731SS**  trans82.2153133.800000120.6
188S30.5Very low32Very low103 Ų103118.3 Ų118.372%0.7273%0.729SS**  trans-116161.3-174.258.60000112.4
189S35Very low32.4Very low96 Ų96117.1 Ų117.167%0.67172%0.723SS**  trans57.4102.6143.1610000120.6
190S35.4Very low32.8Very low102 Ų102117.4 Ų117.471%0.71372%0.724SS**  54.6103.8126.7620000122.2
191S30.9Very low33Very low106 Ų106115.5 Ų115.574%0.74172%0.721SS**  7.4157.9117.159.50000121.5
192P35.7Very low32.7Very low109 Ų109117.8 Ų117.871%0.70873%0.726SS**  cis-141.7-175-24.737.7-17.6000115.5
193S27.6Very low32.3Very low102 Ų102122.3 Ų122.371%0.71374%0.739SS**  trans73.1147.1154.241.90000122
194D32.2Very low32.4Very low156 Ų156124.9 Ų124.983%0.83475%0.746SS**  trans70.388.2154.1-60.4-5000122.9
195A30.1Very low32.5Very low94 Ų94131.3 Ų131.378%0.77776%0.759SS**  88.6124.4108.600000122.8
196A34.2Very low32.6Very low82 Ų82136 Ų13668%0.67877%0.77SS**  trans93.8105.7134.900000121.7
197N35.4Very low32.8Very low140 Ų140132.2 Ų132.275%0.74976%0.757SS**  80.6109.6122.5-69.24.6000122.1
198N37.9Very low33Very low139 Ų139135.1 Ų135.174%0.74376%0.757SS**  120.4138.8119.5-74.1-6.5000117.4
199D37.1Very low33.2Very low110 Ų110138.8 Ų138.859%0.58877%0.768SS**  cis-167.6167-21.5-164.710.5000110.3
200K38.6Very low33.1Very low171 Ų171136.7 Ų136.774%0.74375%0.753SS**  trans81.1145.3157.9-79.5144.8-174.8136.40120.8
201P35.9Very low33.1Very low104 Ų104138.1 Ų138.168%0.67575%0.753SS**  -144.3163.2-13041.3-20.7000118.5
202I29.8Very low33.2Very low158 Ų158140 Ų14081%0.8176%0.759SS**  trans26.7110.7135.5-49.3171000118
203Q29.4Very low33.1Very low187 Ų187145 Ų14587%0.87476%0.764SS**  trans-159.2170.6134.9-111.4166.745.400110.9
204Q32.5Very low33.5Very low194 Ų194145 Ų14591%0.90776%0.759SS**  trans63.463.8-179.4-65-170.5-2600117.8
205R30.6Very low33.5Very low239 Ų239145.2 Ų145.290%0.90276%0.76SS**  -99.1160.9128.8-86.4179.9165155.8-4.5108.3
206H30Very low33.7Very low199 Ų199146.9 Ų146.992%0.92176%0.761SS**SBendtrans7368.1-171.5-60.9-90.3000116.6
207S30.1Very low33.5Very low87 Ų87151.3 Ų151.361%0.60877%0.767SS**  trans-145.8-179.6145.1-161.70000108.9L209S207-L209 PolarHBondContact O-N 2.83Å
208I35.1Very low33.4Very low160 Ų160148.5 Ų148.582%0.82176%0.764SS**SBendtrans72.45.5-177.7-41176.4000114.5
209L34Very low33.2Very low180 Ų180150.9 Ų150.994%0.94277%0.773SS**SBendtrans-119.727.7159.2-80.7177.1000112.7S207S207-L209 PolarHBondContact O-N 2.83Å
210S32.3Very low33.2Very low52 Ų52151.8 Ų151.836%0.36478%0.782SS.*SBendtrans-118.8-14.8-172.151.30000115.4T214S210-T214 PolarHBondContact O-OG1 3.4Å
211N34.8Very low33Very low132 Ų132151.1 Ų151.171%0.70679%0.786SS**THydrogen-bonded Turntrans-101.5-2.6-164.6-67.421.9000114.8
212V34.8Very low33.1Very low144 Ų144154.5 Ų154.587%0.87380%0.799SS**THydrogen-bonded Turntrans-11839.1170.6-159.10000110.8
213R33.3Very low33.4Very low214 Ų214149.5 Ų149.581%0.80879%0.786SS**SBendtrans-127.89.1165.1-140178.6-165.4114.83.6112.9
214T35.2Very low33.8Very low102 Ų102147 Ų14763%0.62679%0.786SS**SBendtrans-121.17.5-167.2-32.20000112.6S210S210-T214 PolarHBondContact O-OG1 3.4Å
215L31.6Very low34.2Very low161 Ų161149 Ų14984%0.84379%0.785SS**SBendtrans-108-9.1172.5-144.574.5000113
216T34Very low34.5Very low129 Ų129144.3 Ų144.379%0.79178%0.783SS**SBendtrans-96.17.3-175.7-240000113.5
217Q31.5Very low34.9Very low176 Ų176140.6 Ų140.682%0.82277%0.77SS**SBendtrans-138.414.8-172.1-152.217012.300113.6
218A32.3Very low35.9Very low81 Ų81140.9 Ų140.967%0.66977%0.768SS**SBendtrans-132.924.7-172.800000114.3
219M34.9Very low36.6Very low189 Ų189136 Ų13693%0.93176%0.757SS**  trans-138.645171-93.9-179.4173.100111.7
220V36.4Very low37.5Very low128 Ų128133.7 Ų133.778%0.77675%0.746SS**  trans-116.677.5167.6-177.10000107.8
221N35.2Very low38.3Very low157 Ų157134.2 Ų134.284%0.8474%0.744SS**  trans165.382.1159.3-88.1-19.2000109.7
222D37.1Very low39.1Very low175 Ų175132.5 Ų132.594%0.93673%0.733SS**  trans-158.2152.2136.6-121.7-36000110.9
223G36Very low40.1Very low53 Ų53131.7 Ų131.755%0.54672%0.724SS.*PPolyproline II helixtrans-79.8153.8-166.200000115.1R225G223-R225 PolarHBondContact O-N 3.04Å
224P37.8Very low41Very low136 Ų136128.7 Ų128.788%0.88372%0.717SS**PPolyproline II helixtrans-68.2116.1-178.828.4-34.5000111.4
225R40.8Very low41.9Very low235 Ų235129 Ų12989%0.88771%0.712SS**PPolyproline II helixtrans-96.7118.1161.8-73.1-169.7173.5-156.9-1.4109.1G223 L227G223-R225 PolarHBondContact O-N 3.04Å; R225-L227 PolarHBondContact O-N 2.92Å
226T36.7Very low43.3Very low140 Ų140125.3 Ų125.386%0.85970%0.697SS**  trans-64.1115.3172.848.60000110
227L39.4Very low44.6Very low122 Ų122122.1 Ų122.164%0.63968%0.68SS**  trans-84.6155.5168.5-70.8174.9000110.9R225 D231R225-L227 PolarHBondContact O-N 2.92Å; L227-D231 HydrophobicContact CB-CB 4.4Å
228T49.8Very low46.1Very low92 Ų92120.6 Ų120.656%0.56467%0.673SS**  trans-86.6159.9-173.921.70000112D230 D231T228-D230 PolarHBondContact O-N 2.78Å; T228-D231 PolarHBondContact N-OD2 2.98Å; T228-D231 WeakPolarHBondContact O-CB 3.27Å; T228-D231 PolarHBondContact O-N 3.39Å; T228-D231 VanDerWaalsContact O-N 3.07Å; T228-D231 PolarHBondContact OG1-OD2 2.73Å
229G50.4Low47.6Very low57 Ų57121.2 Ų121.259%0.58866%0.661SS**Hα-helixtrans-55.9-36.3-175.200000113.8D231 M232G229-D231 PolarHBondContact O-N 2.96Å; G229-M232 WeakPolarHBondContact O-CB 3.48Å; G229-M232 PolarHBondContact O-N 3.23Å; G229-M232 VanDerWaalsContact O-N 3.12Å
230D53Low49.3Very low133 Ų133116.9 Ų116.971%0.71164%0.639SS**Hα-helixtrans-66.6-20.2-178.9-48.8-60000113.7T228T228-D230 PolarHBondContact O-N 2.78Å
231D50.2Low51Low62 Ų62119.1 Ų119.133%0.33263%0.633SS.*Hα-helixtrans-79.3-27.7175.9-61-65.6000111.8L227 T228 G229 K234 M235L227-D231 HydrophobicContact CB-CB 4.4Å; T228-D231 PolarHBondContact N-OD2 2.98Å; T228-D231 WeakPolarHBondContact O-CB 3.27Å; T228-D231 PolarHBondContact O-N 3.39Å; T228-D231 VanDerWaalsContact O-N 3.07Å; T228-D231 PolarHBondContact OG1-OD2 2.73Å; G229-D231 PolarHBondContact O-N 2.96Å; D231-K234 PolarHBondContact O-N 2.78Å; D231-M235 PolarHBondContact O-N 2.76Å
232M50.6Low52.8Low96 Ų96114.4 Ų114.447%0.47362%0.616SS.*Hα-helixtrans-69.2-44.7178.6-66.4-75.594.700111.7G229 K234 M235 V236G229-M232 WeakPolarHBondContact O-CB 3.48Å; G229-M232 PolarHBondContact O-N 3.23Å; G229-M232 VanDerWaalsContact O-N 3.12Å; M232-K234 PolarHBondContact O-N 3.24Å; M232-M235 HydrophobicContact CE-SD 3.79Å; M232-M235 PolarHBondContact O-N 2.72Å; M232-M235 VanDerWaalsContact O-N 3.17Å; M232-V236 WeakPolarHBondContact O-CG2 3.16Å; M232-V236 PolarHBondContact O-N 3.23Å
233D55.7Low54.6Low127 Ų127113.6 Ų113.668%0.67960%0.6SS**Hα-helixtrans-62.1-31.8177.7-79.6-19.6000112.2S237D233-S237 WeakPolarHBondContact O-CB 3.2Å; D233-S237 PolarHBondContact O-N 2.84Å
234K53.6Low56.4Low151 Ų151116.7 Ų116.766%0.65760%0.599SS**Hα-helixtrans-69.8-48171.6-86.7-172.7173.1-178.60112.8D231 M232 V236 S237 E238D231-K234 PolarHBondContact O-N 2.78Å; M232-K234 PolarHBondContact O-N 3.24Å; K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 3.15Å; K234-S237 PolarHBondContact O-N 2.88Å; K234-S237 VanDerWaalsContact O-N 3.13Å; K234-E238 PolarHBondContact O-N 2.91Å
235M54Low58.1Low108 Ų108117.2 Ų117.253%0.53259%0.589SS.*Hα-helixtrans-57.7-42.9175.4-85-175.259.200111.5D231 M232 S237 E238 E239D231-M235 PolarHBondContact O-N 2.76Å; M232-M235 HydrophobicContact CE-SD 3.79Å; M232-M235 PolarHBondContact O-N 2.72Å; M232-M235 VanDerWaalsContact O-N 3.17Å; M235-S237 PolarHBondContact O-N 3.07Å; M235-E238 PolarHBondContact O-N 2.73Å; M235-E239 VanDerWaalsContact O-CB 3.28Å; M235-E239 WeakPolarHBondContact O-CB 3.14Å; M235-E239 PolarHBondContact O-N 3.17Å
236V59.1Low59.5Low85 Ų85111.6 Ų111.652%0.51557%0.573SS.*Hα-helixtrans-62.8-40.8175.6172.30000111.3M232 K234 E239 E240M232-V236 WeakPolarHBondContact O-CG2 3.16Å; M232-V236 PolarHBondContact O-N 3.23Å; K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 3.15Å; V236-E239 PolarHBondContact O-N 2.69Å; V236-E240 WeakPolarHBondContact O-CB 3.39Å; V236-E240 PolarHBondContact O-N 2.87Å
237S62.9Low61.4Low62 Ų62111.1 Ų111.143%0.43456%0.561SS.*Hα-helixtrans-69.8-33178.4-163.40000114D233 K234 M235 R241D233-S237 WeakPolarHBondContact O-CB 3.2Å; D233-S237 PolarHBondContact O-N 2.84Å; K234-S237 PolarHBondContact O-N 2.88Å; K234-S237 VanDerWaalsContact O-N 3.13Å; M235-S237 PolarHBondContact O-N 3.07Å; S237-R241 PolarHBondContact O-N 3.28Å
238E62.2Low63.2Low144 Ų144110.2 Ų110.267%0.67355%0.552SS**Hα-helixtrans-77.5-38173.1-71.4-169.1137.500112.1K234 M235 R241 A242K234-E238 PolarHBondContact O-N 2.91Å; M235-E238 PolarHBondContact O-N 2.73Å; E238-R241 WeakPolarHBondContact O-CB 3.45Å; E238-R241 PolarHBondContact O-N 3.16Å; E238-A242 PolarHBondContact O-N 2.86Å
239E64.2Low64.5Low93 Ų93115 Ų11544%0.43556%0.56SS.*Hα-helixtrans-66.2-40174.9-162.3-170.4138.600111.6M235 V236 R241 A242 R243M235-E239 VanDerWaalsContact O-CB 3.28Å; M235-E239 WeakPolarHBondContact O-CB 3.14Å; M235-E239 PolarHBondContact O-N 3.17Å; V236-E239 PolarHBondContact O-N 2.69Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 3.26Å; E239-A242 PolarHBondContact O-N 3.47Å; E239-R243 WeakPolarHBondContact O-CB 3.44Å; E239-R243 VanDerWaalsContact O-CG 3.29Å; E239-R243 WeakPolarHBondContact O-CG 3.35Å; E239-R243 PolarHBondContact O-N 2.89Å; E239-R243 IonicContact OE1-CZ 2.99Å; E239-R243 IonicContact OE1-NE 2.69Å; E239-R243 PolarHBondContact OE1-NE 3.07Å; E239-R243 IonicContact OE1-NH2 2.67Å; E239-R243 PolarHBondContact OE1-NH2 3.43Å
240E69.7Low65.7Low98 Ų98117.5 Ų117.546%0.45856%0.556SS.*Hα-helixtrans-69.3-29.6175.3-157-171.9127.900112.2V236 K244V236-E240 WeakPolarHBondContact O-CB 3.39Å; V236-E240 PolarHBondContact O-N 2.87Å; E240-K244 WeakPolarHBondContact O-CB 3.44Å; E240-K244 PolarHBondContact O-N 3.09Å; E240-K244 IonicContact OE1-NZ 2.7Å; E240-K244 PolarHBondContact OE1-NZ 3.13Å
241R72.8Confident66.8Low176 Ų176116.6 Ų116.666%0.66455%0.548SS*.Hα-helixtrans-63.8-50167.1-100.6-171.9174.480.30.9111.6S237 E238 E239 R243 K244 E245S237-R241 PolarHBondContact O-N 3.28Å; E238-R241 WeakPolarHBondContact O-CB 3.45Å; E238-R241 PolarHBondContact O-N 3.16Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 3.26Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 3.45Å; R241-K244 PolarHBondContact O-N 3.11Å; R241-E245 WeakPolarHBondContact O-CB 3.28Å; R241-E245 PolarHBondContact O-N 3.05Å
242A72.5Confident67.9Low58 Ų58119 Ų11948%0.47956%0.557SS.*Hα-helixtrans-60.1-41.5179.300000111.7E238 E239 E245 Q246E238-A242 PolarHBondContact O-N 2.86Å; E239-A242 PolarHBondContact O-N 3.47Å; A242-E245 PolarHBondContact O-N 3.38Å; A242-Q246 WeakPolarHBondContact O-CB 3.05Å; A242-Q246 PolarHBondContact O-N 2.8Å
243R76.2Confident69Low158 Ų158119.2 Ų119.260%0.59656%0.556SS**Hα-helixtrans-60.4-47.7173.9-73.2169.3179.5-119.17.5111.8E239 R241 E245 Q246 E247E239-R243 WeakPolarHBondContact O-CB 3.44Å; E239-R243 VanDerWaalsContact O-CG 3.29Å; E239-R243 WeakPolarHBondContact O-CG 3.35Å; E239-R243 PolarHBondContact O-N 2.89Å; E239-R243 IonicContact OE1-CZ 2.99Å; E239-R243 IonicContact OE1-NE 2.69Å; E239-R243 PolarHBondContact OE1-NE 3.07Å; E239-R243 IonicContact OE1-NH2 2.67Å; E239-R243 PolarHBondContact OE1-NH2 3.43Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 3.45Å; R243-E245 VanDerWaalsContact C-N 3.34Å; R243-E245 PolarHBondContact O-N 2.91Å; R243-Q246 PolarHBondContact O-N 3.17Å; R243-E247 VanDerWaalsContact O-CB 3.25Å; R243-E247 WeakPolarHBondContact O-CB 3.29Å; R243-E247 PolarHBondContact O-N 3.37Å
244K73.3Confident70Confident118 Ų118115.1 Ų115.151%0.51353%0.533SS..Hα-helixtrans-64.9-34.1177.1-82.9167.2172.4155.40113.6E240 R241 K248E240-K244 WeakPolarHBondContact O-CB 3.44Å; E240-K244 PolarHBondContact O-N 3.09Å; E240-K244 IonicContact OE1-NZ 2.7Å; E240-K244 PolarHBondContact OE1-NZ 3.13Å; R241-K244 PolarHBondContact O-N 3.11Å; K244-K248 WeakPolarHBondContact O-CB 3.24Å; K244-K248 PolarHBondContact O-N 3.12Å
245E73.2Confident71Confident146 Ų146109.6 Ų109.668%0.68252%0.515SS*.Hα-helixtrans-78.1-30.1177.9-165.9145.8-141.300112.3R241 A242 R243 R249R241-E245 WeakPolarHBondContact O-CB 3.28Å; R241-E245 PolarHBondContact O-N 3.05Å; A242-E245 PolarHBondContact O-N 3.38Å; R243-E245 VanDerWaalsContact C-N 3.34Å; R243-E245 PolarHBondContact O-N 2.91Å; E245-R249 WeakPolarHBondContact O-CB 3.3Å; E245-R249 PolarHBondContact O-N 3.28Å
246Q71.3Confident71.9Confident117 Ų117107 Ų10755%0.54751%0.511SS..Hα-helixtrans-70.5-46.3167.7-179172.7-22.800112A242 R243 K248 R249 E250A242-Q246 WeakPolarHBondContact O-CB 3.05Å; A242-Q246 PolarHBondContact O-N 2.8Å; R243-Q246 PolarHBondContact O-N 3.17Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 2.59Å; Q246-R249 WeakPolarHBondContact O-CA 3.34Å; Q246-R249 WeakPolarHBondContact O-CB 3.42Å; Q246-R249 PolarHBondContact O-N 3.45Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.29Å; Q246-E250 PolarHBondContact NE2-OE1 2.97Å; Q246-E250 PolarHBondContact O-N 3.36Å
247E74.7Confident72.4Confident130 Ų130110.4 Ų110.461%0.60751%0.514SS*.Hα-helixtrans-56.3-45.4176.1-178.4175.6-147.700110.9R243 R249 E250 E251R243-E247 VanDerWaalsContact O-CB 3.25Å; R243-E247 WeakPolarHBondContact O-CB 3.29Å; R243-E247 PolarHBondContact O-N 3.37Å; E247-R249 VanDerWaalsContact C-N 3.28Å; E247-R249 PolarHBondContact O-N 3.05Å; E247-E250 PolarHBondContact O-N 3.48Å; E247-E251 VanDerWaalsContact O-CB 3.29Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 PolarHBondContact O-N 3.13Å
248K78Confident72.4Confident104 Ų104110.5 Ų110.545%0.45251%0.505SS..Hα-helixtrans-59.5-35.8172.3179.1179.8175-67.30113K244 Q246 E251 E252K244-K248 WeakPolarHBondContact O-CB 3.24Å; K244-K248 PolarHBondContact O-N 3.12Å; Q246-K248 VanDerWaalsContact C-N 3.32Å; Q246-K248 PolarHBondContact O-N 2.59Å; K248-E251 PolarHBondContact O-N 3.46Å; K248-E252 IonicContact NZ-OE1 3.19Å; K248-E252 PolarHBondContact NZ-OE1 3.28Å; K248-E252 IonicContact NZ-OE2 2.88Å; K248-E252 PolarHBondContact NZ-OE2 3.24Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 2.79Å
249R77.3Confident72.3Confident193 Ų193108.9 Ų108.973%0.72850%0.5SS*.Hα-helixtrans-76.5-41.8-177.5-160178.6-160.6165.75.9112.1E245 Q246 E247 E251 E252 E253E245-R249 WeakPolarHBondContact O-CB 3.3Å; E245-R249 PolarHBondContact O-N 3.28Å; Q246-R249 WeakPolarHBondContact O-CA 3.34Å; Q246-R249 WeakPolarHBondContact O-CB 3.42Å; Q246-R249 PolarHBondContact O-N 3.45Å; E247-R249 VanDerWaalsContact C-N 3.28Å; E247-R249 PolarHBondContact O-N 3.05Å; R249-E251 PolarHBondContact O-N 2.86Å; R249-E252 PolarHBondContact O-N 3.22Å; R249-E253 PolarHBondContact O-N 3.32Å
250E76.4Confident71.8Confident109 Ų109110.3 Ų110.351%0.50951%0.511SS..Hα-helixtrans-62-35.9167.5-70.7173-163.600110.2Q246 E247 K254Q246-E250 WeakPolarHBondContact CG-OE1 3.29Å; Q246-E250 PolarHBondContact NE2-OE1 2.97Å; Q246-E250 PolarHBondContact O-N 3.36Å; E247-E250 PolarHBondContact O-N 3.48Å; E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 PolarHBondContact O-N 2.79Å
251E74.4Confident71.1Confident114 Ų114109.9 Ų109.953%0.53351%0.514SS..Hα-helixtrans-67-42174.6-161.2177.6-157.900112.6E247 K248 R249 K254 A255 K884E247-E251 VanDerWaalsContact O-CB 3.29Å; E247-E251 WeakPolarHBondContact O-CB 3.42Å; E247-E251 PolarHBondContact O-N 3.13Å; K248-E251 PolarHBondContact O-N 3.46Å; R249-E251 PolarHBondContact O-N 2.86Å; E251-K254 CarbonylContact O-C 3.48Å; E251-A255 WeakPolarHBondContact O-CB 3.49Å; E251-A255 PolarHBondContact O-N 3.25Å; E251-K884 WeakPolarHBondContact O-CE 3.14Å; E251-K884 PolarHBondContact O-NZ 3.14Å; E251-K884 WeakPolarHBondContact OE1-CE 3.34Å
252E74.3Confident69.9Low112 Ų112106.1 Ų106.152%0.52350%0.504SS..Hα-helixtrans-66.5-43.4174.9-78.6172.8160.200112K248 R249 A255 A256K248-E252 IonicContact NZ-OE1 3.19Å; K248-E252 PolarHBondContact NZ-OE1 3.28Å; K248-E252 IonicContact NZ-OE2 2.88Å; K248-E252 PolarHBondContact NZ-OE2 3.24Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 2.79Å; R249-E252 PolarHBondContact O-N 3.22Å; E252-A255 WeakPolarHBondContact O-CB 3.44Å; E252-A255 PolarHBondContact O-N 2.86Å; E252-A255 VanDerWaalsContact O-N 3.11Å; E252-A256 PolarHBondContact O-N 2.97Å
253E74.5Confident68.7Low100 Ų100108.4 Ų108.447%0.46751%0.509SS..Hα-helixtrans-64.2-43.3175.8-166.7-174142.900111.6R249 A255 A256 R257R249-E253 PolarHBondContact O-N 3.32Å; E253-A255 PolarHBondContact O-N 2.92Å; E253-A256 WeakPolarHBondContact O-CB 3.37Å; E253-A256 PolarHBondContact O-N 2.81Å; E253-A256 VanDerWaalsContact O-N 3.16Å; E253-R257 WeakPolarHBondContact O-CG 3.29Å; E253-R257 PolarHBondContact O-N 2.95Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 3.51Å; E253-R257 PolarHBondContact OE1-NE 2.88Å; E253-R257 IonicContact OE1-NH2 3.27Å; E253-R257 PolarHBondContact OE1-NH2 2.82Å
254K76.1Confident67.4Low41 Ų41105.7 Ų105.718%0.17851%0.506CS..Hα-helixtrans-78.46.3175.8-161-165.1174.5-155.10113E250 E251 E882 N883 K884E250-K254 WeakPolarHBondContact O-CB 3.35Å; E250-K254 PolarHBondContact O-N 2.79Å; E251-K254 CarbonylContact O-C 3.48Å; K254-E882 WeakPolarHBondContact CE-OE2 3.03Å; K254-E882 VanDerWaalsContact NZ-CA 3.28Å; K254-E882 PolarHBondContact NZ-O 2.79Å; K254-E882 IonicContact NZ-OE1 2.8Å; K254-E882 PolarHBondContact NZ-OE1 3.13Å; K254-E882 IonicContact NZ-OE2 3.34Å; K254-E882 PolarHBondContact NZ-OE2 2.91Å; K254-N883 PolarHBondContact NZ-O 3.37Å; K254-N883 VanDerWaalsContact NZ-O 3.15Å; K254-K884 VanDerWaalsContact C-NZ 3.32Å; K254-K884 PolarHBondContact O-NZ 3.25Å; K254-K884 VanDerWaalsContact O-NZ 3.13Å
255A73.9Confident66.2Low35 Ų35107.3 Ų107.329%0.28951%0.513SS..Hα-helixtrans-97.4-44.6160.900000109.6E251 E252 E253 R257 R258 I259E251-A255 WeakPolarHBondContact O-CB 3.49Å; E251-A255 PolarHBondContact O-N 3.25Å; E252-A255 WeakPolarHBondContact O-CB 3.44Å; E252-A255 PolarHBondContact O-N 2.86Å; E252-A255 VanDerWaalsContact O-N 3.11Å; E253-A255 PolarHBondContact O-N 2.92Å; A255-R257 PolarHBondContact O-N 3.43Å; A255-R258 PolarHBondContact O-N 2.99Å; A255-I259 PolarHBondContact O-N 3.43Å
256A73.3Confident65Low53 Ų53104.7 Ų104.744%0.43850%0.504SS..Hα-helixtrans-56.3-50.1173.700000112.1E252 E253 R258 I259 D260E252-A256 PolarHBondContact O-N 2.97Å; E253-A256 WeakPolarHBondContact O-CB 3.37Å; E253-A256 PolarHBondContact O-N 2.81Å; E253-A256 VanDerWaalsContact O-N 3.16Å; A256-R258 PolarHBondContact O-N 3.06Å; A256-I259 PolarHBondContact O-N 3.02Å; A256-D260 PolarHBondContact O-N 2.94Å
257R69.3Low64Low157 Ų157100.5 Ų100.559%0.59249%0.489SS*.Hα-helixtrans-59.4-16174.8-68.1179.5-176.9-136.69.7114.3E253 A255 V261E253-R257 WeakPolarHBondContact O-CG 3.29Å; E253-R257 PolarHBondContact O-N 2.95Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 3.51Å; E253-R257 PolarHBondContact OE1-NE 2.88Å; E253-R257 IonicContact OE1-NH2 3.27Å; E253-R257 PolarHBondContact OE1-NH2 2.82Å; A255-R257 PolarHBondContact O-N 3.43Å; R257-V261 VanDerWaalsContact O-CG2 3.25Å; R257-V261 WeakPolarHBondContact O-CG2 3.49Å
258R64.1Low62.9Low64 Ų64101.3 Ų101.324%0.24249%0.493CS..Hα-helixtrans-95-26.5174.1-80.4-179.4167.5125.3-10.1113A255 A256 V261 E262 E882 N883 K884A255-R258 PolarHBondContact O-N 2.99Å; A256-R258 PolarHBondContact O-N 3.06Å; R258-V261 PolarHBondContact O-N 2.82Å; R258-E262 WeakPolarHBondContact O-CB 3.49Å; R258-E262 WeakPolarHBondContact O-CG 3.37Å; R258-E262 PolarHBondContact O-N 2.66Å; R258-E882 PolarHBondContact NH2-O 3.34Å; R258-N883 PolarHBondContact NH1-O 3.25Å; R258-K884 PolarHBondContact NE-O 2.78Å; R258-K884 VanDerWaalsContact NE-O 3.07Å; R258-K884 PolarHBondContact NH2-O 3.22Å
259I59.9Low62.3Low111 Ų111101.5 Ų101.557%0.56950%0.495SS*.Hα-helixtrans-68.7-40.3169.9-65.1166000109.9A255 A256 E262 D263A255-I259 PolarHBondContact O-N 3.43Å; A256-I259 PolarHBondContact O-N 3.02Å; I259-E262 PolarHBondContact O-N 2.76Å; I259-D263 PolarHBondContact O-N 2.7Å
260D52.6Low62.3Low123 Ų12398.9 Ų98.966%0.65849%0.489SS*.Hα-helixtrans-60.1-43.9171.3-81.1-31.7000112.1A256 D263 D264A256-D260 PolarHBondContact O-N 2.94Å; D260-D263 PolarHBondContact O-N 2.85Å; D260-D264 PolarHBondContact O-N 2.82Å
261V54.3Low62.9Low88 Ų8897 Ų9753%0.53349%0.486SS..Hα-helixtrans-73.7-26-179.9171.30000112.9R257 R258R257-V261 VanDerWaalsContact O-CG2 3.25Å; R257-V261 WeakPolarHBondContact O-CG2 3.49Å; R258-V261 PolarHBondContact O-N 2.82Å
262E49.4Very low63.8Low97 Ų9795.7 Ų95.745%0.45348%0.482SS..Hα-helixtrans-74.5-26.2173.5-79.6-176.4177.400112.9R258 I259R258-E262 WeakPolarHBondContact O-CB 3.49Å; R258-E262 WeakPolarHBondContact O-CG 3.37Å; R258-E262 PolarHBondContact O-N 2.66Å; I259-E262 PolarHBondContact O-N 2.76Å
263D46.5Very low64.6Low106 Ų10692.3 Ų92.357%0.56747%0.468SS*.Hα-helixtrans-86.1-23.5172.9-121-9.7000112.8K28 I259 D260 F265 D266K28-D263 IonicContact NZ-OD1 3.72Å; K28-D263 PolarHBondContact NZ-OD1 2.87Å; I259-D263 PolarHBondContact O-N 2.7Å; D260-D263 PolarHBondContact O-N 2.85Å; D263-F265 PolarHBondContact O-N 3.35Å; D263-D266 PolarHBondContact O-N 3.39Å; D263-D266 VanDerWaalsContact O-N 3.13Å
264D49.3Very low65.5Low101 Ų10194.3 Ų94.354%0.5448%0.475SS..Hα-helixtrans-70.2-18.5175.2-158.938.8000113D260 D266 A267D260-D264 PolarHBondContact O-N 2.82Å; D264-D266 PolarHBondContact O-N 2.66Å; D264-A267 WeakPolarHBondContact O-CB 3.44Å; D264-A267 PolarHBondContact O-N 2.94Å; D264-A267 VanDerWaalsContact OD1-CB 3.27Å; D264-A267 WeakPolarHBondContact OD1-CB 3.41Å
265F47.4Very low66.3Low153 Ų15392.5 Ų92.567%0.67147%0.468SS*.G310 helixtrans-63.1-27.3168.5-103.9-84.9000113.2D263D263-F265 PolarHBondContact O-N 3.35Å
266D48.7Very low67.1Low90 Ų9098.2 Ų98.248%0.48149%0.486SS..G310 helixtrans-85.1-10.6171.9-81-91.9000112.6K28 D263 D264 Q268K28-D266 HydrophobicContact CD-CB 4.44Å; K28-D266 VanDerWaalsContact CD-CG 3.49Å; K28-D266 WeakPolarHBondContact CD-OD1 3.44Å; K28-D266 IonicContact NZ-OD1 2.85Å; K28-D266 IonicContact NZ-OD2 2.9Å; K28-D266 PolarHBondContact NZ-OD2 3.28Å; D263-D266 PolarHBondContact O-N 3.39Å; D263-D266 VanDerWaalsContact O-N 3.13Å; D264-D266 PolarHBondContact O-N 2.66Å; D266-Q268 VanDerWaalsContact C-N 3.26Å; D266-Q268 PolarHBondContact O-N 3.3Å
267A49Very low67.9Low29 Ų29100.5 Ų100.524%0.2449%0.491CS..G310 helixtrans-81.6-0.5176.200000113.6D264 K270D264-A267 WeakPolarHBondContact O-CB 3.44Å; D264-A267 PolarHBondContact O-N 2.94Å; D264-A267 VanDerWaalsContact OD1-CB 3.27Å; D264-A267 WeakPolarHBondContact OD1-CB 3.41Å; A267-K270 VanDerWaalsContact O-CD 3.32Å; A267-K270 WeakPolarHBondContact O-CD 3.33Å; A267-K270 WeakPolarHBondContact O-CE 3.42Å; A267-K270 WeakPolarHBondContact O-CG 3.4Å; A267-K270 PolarHBondContact O-NZ 3.27Å
268Q52.7Low69Low147 Ų14794.6 Ų94.669%0.68748%0.479SS*.SBendtrans-90.7-23.8-179.2-68.8-172.2-12.400114.4D266 K270D266-Q268 VanDerWaalsContact C-N 3.26Å; D266-Q268 PolarHBondContact O-N 3.3Å; Q268-K270 PolarHBondContact O-N 2.97Å
269E64.3Low70.6Confident108 Ų10894.3 Ų94.351%0.50548%0.478SS..  trans-81.245.8177.9-157.2167.4-108.500112.1F283 R297E269-F283 HydrophobicContact CG-CD1 3.69Å; E269-F283 HydrophobicContact CG-CE1 3.76Å; E269-F283 HydrophobicContact CG-CG 4.35Å; E269-F283 HydrophobicContact CG-CZ 4.48Å; E269-F283 WeakPolarHBondContact O-CE1 3.49Å; E269-R297 IonicContact OE1-CZ 3.82Å; E269-R297 IonicContact OE1-NH1 2.71Å; E269-R297 PolarHBondContact OE1-NH1 2.95Å; E269-R297 IonicContact OE1-NH2 3.51Å; E269-R297 PolarHBondContact OE1-NH2 2.93Å; E269-R297 IonicContact OE2-NH2 3.75Å
270K79.1Confident72.3Confident138 Ų13889.1 Ų89.160%0.645%0.451SS*.  trans-75127.9177.3-76167.7178.9126.70110A267 Q268A267-K270 VanDerWaalsContact O-CD 3.32Å; A267-K270 WeakPolarHBondContact O-CD 3.33Å; A267-K270 WeakPolarHBondContact O-CE 3.42Å; A267-K270 WeakPolarHBondContact O-CG 3.4Å; A267-K270 PolarHBondContact O-NZ 3.27Å; Q268-K270 PolarHBondContact O-N 2.97Å
271P88.7Confident74.4Confident69 Ų6985 Ų8545%0.44843%0.429SS..  trans-72.9131.1179.929.7-34.9000111.4L281 K282 F283P271-L281 HydrophobicContact CB-CB 4Å; P271-L281 HydrophobicContact CB-CD1 4.27Å; P271-L281 HydrophobicContact CB-CD2 4.29Å; P271-L281 HydrophobicContact CB-CG 4.42Å; P271-L281 HydrophobicContact CG-CD1 4.32Å; P271-K282 CarbonylContact C-O 3.56Å; P271-K282 WeakPolarHBondContact CA-O 3.38Å; P271-F283 HydrophobicContact CB-CD1 4.4Å; P271-F283 HydrophobicContact CB-CE1 4.05Å
272I91.6Very high76.4Confident87 Ų8781.7 Ų81.745%0.44641%0.407SS..  trans-93.1-23.3-174.753.5160.2000114K282 D284I272-K282 HydrophobicContact CD1-CD 3.74Å; I272-K282 HydrophobicContact CD1-CG 4.08Å; I272-K282 HydrophobicContact CG1-CB 4.23Å; I272-K282 HydrophobicContact CG1-CD 3.92Å; I272-K282 HydrophobicContact CG1-CG 3.96Å; I272-K282 WeakPolarHBondContact CG1-O 3.34Å; I272-K282 PolarHBondContact N-O 3.21Å; I272-D284 HydrophobicContact CD1-CB 3.89Å; I272-D284 HydrophobicContact CG1-CB 4.5Å; I272-D284 HydrophobicContact CG2-CB 4.15Å
273D91.3Very high78.5Confident42 Ų4277.8 Ų77.823%0.22539%0.389CS..EExtended strand (participates in β ladder)trans-147.6164.2174-162.82.5000109.5K282 W309 Y358D273-K282 HydrophobicContact CB-CB 3.86Å; D273-K282 HydrophobicContact CB-CD 3.77Å; D273-K282 HydrophobicContact CB-CG 4.45Å; D273-K282 PolarHBondContact O-N 3.14Å; D273-W309 HydrophobicContact CB-CH2 4.1Å; D273-W309 HydrophobicContact CB-CZ2 3.9Å; D273-W309 WeakPolarHBondContact OD2-CZ2 3.38Å; D273-Y358 PolarHBondContact OD2-OH 3.35Å
274K93Very high80.7Confident141 Ų14179 Ų7961%0.61340%0.395SS*.EExtended strand (participates in β ladder)trans-147.6143.2178.965.5-170.5176.8-172.90111.9F280 L281K274-F280 WeakPolarHBondContact CA-O 3.35Å; K274-L281 HydrophobicContact CB-CD2 3.83Å
275S93.4Very high82.7Confident3 Ų378 Ų782%0.02139%0.388CS..  trans-53.5156.3170.455.80000113N277 G278 R279 F280S275-N277 WeakPolarHBondContact CB-OD1 3.38Å; S275-N277 PolarHBondContact O-N 3.22Å; S275-N277 PolarHBondContact OG-OD1 2.98Å; S275-G278 WeakPolarHBondContact O-CA 3.35Å; S275-G278 PolarHBondContact O-N 3.46Å; S275-G278 PolarHBondContact OG-N 3.43Å; S275-R279 PolarHBondContact OG-N 3.46Å; S275-F280 PolarHBondContact N-O 3.44Å; S275-F280 PolarHBondContact OG-N 2.88Å; S275-F280 PolarHBondContact OG-O 3.38Å
276K90.2Very high84.9Confident155 Ų15575.2 Ų75.267%0.67438%0.377SS*.THydrogen-bonded Turntrans-62.8-27.3-175.1-62.7179.5-177.71760114.2W347 E348K276-W347 HydrophobicContact CD-CB 4.21Å; K276-W347 HydrophobicContact CD-CG 4.3Å; K276-W347 HydrophobicContact CG-CG 4.39Å; K276-E348 WeakPolarHBondContact CE-O 3.17Å; K276-E348 PolarHBondContact NZ-O 3.45Å
277N91.4Very high87Confident101 Ų10174.5 Ų74.554%0.5437%0.372SS..THydrogen-bonded Turntrans-92.1-3.4173.955.411.5000112.9S275 R279S275-N277 WeakPolarHBondContact CB-OD1 3.38Å; S275-N277 PolarHBondContact O-N 3.22Å; S275-N277 PolarHBondContact OG-OD1 2.98Å; N277-R279 PolarHBondContact O-N 2.94Å; N277-R279 WeakPolarHBondContact OD1-CB 3.46Å; N277-R279 PolarHBondContact OD1-N 2.9Å; N277-R279 VanDerWaalsContact OD1-N 3.14Å
278G92.4Very high88.7Confident33 Ų3374.5 Ų74.534%0.3438%0.375SS..SBendtrans76.8-2.9-176.700000115.2S275S275-G278 WeakPolarHBondContact O-CA 3.35Å; S275-G278 PolarHBondContact O-N 3.46Å; S275-G278 PolarHBondContact OG-N 3.43Å
279R96.4Very high90.3Very high58 Ų5875.7 Ų75.722%0.21937%0.373CS..  trans-62.9-52.2-175.4177.4177.4175.7161.9-9.3112.4S275 N277 D300 T301 E302S275-R279 PolarHBondContact OG-N 3.46Å; N277-R279 PolarHBondContact O-N 2.94Å; N277-R279 WeakPolarHBondContact OD1-CB 3.46Å; N277-R279 PolarHBondContact OD1-N 2.9Å; N277-R279 VanDerWaalsContact OD1-N 3.14Å; R279-D300 VanDerWaalsContact CG-OD1 3.22Å; R279-D300 WeakPolarHBondContact CG-OD1 3.34Å; R279-D300 IonicContact CZ-OD1 3.12Å; R279-D300 IonicContact CZ-OD2 2.72Å; R279-D300 IonicContact NE-OD1 3.47Å; R279-D300 PolarHBondContact NE-OD1 2.9Å; R279-D300 IonicContact NE-OD2 3.62Å; R279-D300 PolarHBondContact NE-OD2 3.4Å; R279-D300 IonicContact NH2-OD1 2.78Å; R279-D300 IonicContact NH2-OD2 3.99Å; R279-D300 PolarHBondContact NH2-OD2 2.87Å; R279-T301 WeakPolarHBondContact O-CB 3.3Å; R279-T301 WeakPolarHBondContact O-CG2 3.49Å; R279-T301 PolarHBondContact O-N 3.45Å; R279-T301 PolarHBondContact O-OG1 3.2Å; R279-E302 VanDerWaalsContact CD-CD 3.42Å; R279-E302 WeakPolarHBondContact CD-OE1 3.18Å; R279-E302 HydrophobicContact CG-CB 4.46Å; R279-E302 HydrophobicContact CG-CG 3.97Å; R279-E302 IonicContact CZ-OE2 3.16Å; R279-E302 IonicContact NE-OE2 2.69Å; R279-E302 PolarHBondContact NE-OE2 2.95Å; R279-E302 IonicContact NH1-OE2 3.39Å; R279-E302 PolarHBondContact NH1-OE2 3.3Å; R279-E302 IonicContact NH2-OE2 3.52Å
280F97.1Very high90.7Very high2 Ų272.5 Ų72.51%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-96.8135.9179.3-49.1-72.2000111.3K274 S275 L299 D300 V307 W309 Y344 D345 W347 V362K274-F280 WeakPolarHBondContact CA-O 3.35Å; S275-F280 PolarHBondContact N-O 3.44Å; S275-F280 PolarHBondContact OG-N 2.88Å; S275-F280 PolarHBondContact OG-O 3.38Å; F280-L299 WeakPolarHBondContact CA-O 3.36Å; F280-D300 HydrophobicContact CD1-CB 3.85Å; F280-D300 HydrophobicContact CE1-CB 3.8Å; F280-V307 HydrophobicContact CD1-CG2 4.25Å; F280-W309 HydrophobicContact CB-CE3 4.38Å; F280-W309 HydrophobicContact CB-CZ3 4.21Å; F280-Y344 HydrophobicContact CE1-CG 4.46Å; F280-Y344 HydrophobicContact CZ-CG 4.48Å; F280-D345 HydrophobicContact CE2-CB 3.75Å; F280-D345 HydrophobicContact CZ-CB 4.42Å; F280-W347 HydrophobicContact CB-CH2 4.39Å; F280-W347 HydrophobicContact CD2-CH2 4.1Å; F280-W347 AromaticContact CD2-CZ3 3.96Å; F280-W347 HydrophobicContact CD2-CZ3 3.96Å; F280-V362 HydrophobicContact CB-CG2 4.37Å; F280-V362 HydrophobicContact CD1-CG1 3.73Å; F280-V362 HydrophobicContact CD2-CB 4.47Å; F280-V362 HydrophobicContact CD2-CG1 4.4Å; F280-V362 HydrophobicContact CD2-CG2 4.03Å; F280-V362 HydrophobicContact CE1-CG1 3.92Å; F280-V362 HydrophobicContact CG-CB 4.48Å; F280-V362 HydrophobicContact CG-CG1 3.98Å; F280-V362 HydrophobicContact CG-CG2 4.1Å; F280-V362 HydrophobicContact CZ-CG1 4.35Å
281L95.9Very high90.1Very high37 Ų3770.8 Ų70.819%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-110.5146.4172.1-58.5177.1000110.3P271 K274 F283 G298 L299 T301P271-L281 HydrophobicContact CB-CB 4Å; P271-L281 HydrophobicContact CB-CD1 4.27Å; P271-L281 HydrophobicContact CB-CD2 4.29Å; P271-L281 HydrophobicContact CB-CG 4.42Å; P271-L281 HydrophobicContact CG-CD1 4.32Å; K274-L281 HydrophobicContact CB-CD2 3.83Å; L281-F283 HydrophobicContact CB-CZ 4.33Å; L281-G298 CarbonylContact O-C 3.56Å; L281-G298 WeakPolarHBondContact O-CA 3.49Å; L281-L299 PolarHBondContact N-O 2.93Å; L281-L299 PolarHBondContact O-N 2.98Å; L281-T301 HydrophobicContact CD1-CG2 3.64Å; L281-T301 HydrophobicContact CG-CG2 3.76Å
282K96Very high89.1Confident18 Ų1872.1 Ų72.18%0.07837%0.374CS..EExtended strand (participates in β ladder)trans-105.1139.8173.1-173.3-168.1-177.8179.70110.4P271 I272 D273 F296 W309 E311P271-K282 CarbonylContact C-O 3.56Å; P271-K282 WeakPolarHBondContact CA-O 3.38Å; I272-K282 HydrophobicContact CD1-CD 3.74Å; I272-K282 HydrophobicContact CD1-CG 4.08Å; I272-K282 HydrophobicContact CG1-CB 4.23Å; I272-K282 HydrophobicContact CG1-CD 3.92Å; I272-K282 HydrophobicContact CG1-CG 3.96Å; I272-K282 WeakPolarHBondContact CG1-O 3.34Å; I272-K282 PolarHBondContact N-O 3.21Å; D273-K282 HydrophobicContact CB-CB 3.86Å; D273-K282 HydrophobicContact CB-CD 3.77Å; D273-K282 HydrophobicContact CB-CG 4.45Å; D273-K282 PolarHBondContact O-N 3.14Å; K282-F296 HydrophobicContact CD-CG 4.48Å; K282-F296 HydrophobicContact CG-CB 4.09Å; K282-F296 HydrophobicContact CG-CG 4.41Å; K282-W309 HydrophobicContact CB-CD2 3.74Å; K282-W309 HydrophobicContact CB-CE3 3.87Å; K282-W309 HydrophobicContact CB-CG 4.25Å; K282-W309 HydrophobicContact CB-CH2 4.03Å; K282-W309 HydrophobicContact CB-CZ2 3.94Å; K282-W309 HydrophobicContact CB-CZ3 4.01Å; K282-W309 HydrophobicContact CD-CD2 4.38Å; K282-W309 HydrophobicContact CD-CG 4.46Å; K282-W309 HydrophobicContact CD-CZ2 4.15Å; K282-W309 HydrophobicContact CG-CD2 3.98Å; K282-W309 HydrophobicContact CG-CG 4Å; K282-W309 HydrophobicContact CG-CZ2 4.43Å; K282-E311 WeakPolarHBondContact CE-OE1 3.36Å; K282-E311 IonicContact NZ-OE1 3.67Å; K282-E311 PolarHBondContact NZ-OE1 2.74Å; K282-E311 IonicContact NZ-OE2 3.76Å; K282-E311 PolarHBondContact NZ-OE2 2.98Å
283F94.2Very high88.6Confident16 Ų1670 Ų707%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-114.7159.9169.6-54.2-80.8000110.8E269 P271 L281 E285 R297 L299E269-F283 HydrophobicContact CG-CD1 3.69Å; E269-F283 HydrophobicContact CG-CE1 3.76Å; E269-F283 HydrophobicContact CG-CG 4.35Å; E269-F283 HydrophobicContact CG-CZ 4.48Å; E269-F283 WeakPolarHBondContact O-CE1 3.49Å; P271-F283 HydrophobicContact CB-CD1 4.4Å; P271-F283 HydrophobicContact CB-CE1 4.05Å; L281-F283 HydrophobicContact CB-CZ 4.33Å; F283-E285 PolarHBondContact O-N 3.5Å; F283-R297 PolarHBondContact N-O 3.33Å; F283-L299 HydrophobicContact CE2-CB 3.67Å; F283-L299 HydrophobicContact CZ-CB 4.04Å
284D92.2Very high88.5Confident130 Ų13068.6 Ų68.670%0.69535%0.354SS*.EExtended strand (participates in β ladder)trans-80.539.7-179.1-152.525.5000113.1I272I272-D284 HydrophobicContact CD1-CB 3.89Å; I272-D284 HydrophobicContact CG1-CB 4.5Å; I272-D284 HydrophobicContact CG2-CB 4.15Å
285E92.7Very high88.4Confident82 Ų8262.9 Ų62.938%0.38333%0.331SS..EExtended strand (participates in β ladder)trans-109.394.8176.9-172.3-173.7136.900108.3F283 L287 F296 R297F283-E285 PolarHBondContact O-N 3.5Å; E285-L287 HydrophobicContact CG-CD2 4.4Å; E285-L287 PolarHBondContact O-N 2.85Å; E285-L287 WeakPolarHBondContact OE1-CD2 3.39Å; E285-F296 CarbonylContact O-C 3.23Å; E285-F296 VanDerWaalsContact O-CA 3.3Å; E285-F296 WeakPolarHBondContact O-CA 3.48Å; E285-R297 HydrophobicContact CB-CB 3.96Å; E285-R297 VanDerWaalsContact CD-CD 3.41Å; E285-R297 HydrophobicContact CG-CB 4.34Å; E285-R297 PolarHBondContact O-N 3.12Å; E285-R297 WeakPolarHBondContact OE1-CD 3.41Å; E285-R297 WeakPolarHBondContact OE2-CD 3.44Å; E285-R297 IonicContact OE2-CZ 2.8Å; E285-R297 IonicContact OE2-NE 3.62Å; E285-R297 IonicContact OE2-NH1 3.64Å; E285-R297 PolarHBondContact OE2-NH1 2.68Å
286E93.6Very high88.5Confident94 Ų9463.7 Ų63.744%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-68.7110.2173.5-170.5-178.1115.600109.4R289 T294 V295 F296E286-R289 VanDerWaalsContact OE1-CB 3.24Å; E286-R289 WeakPolarHBondContact OE1-CB 3.39Å; E286-R289 IonicContact OE2-NH1 2.76Å; E286-T294 HydrophobicContact CG-CG2 3.68Å; E286-T294 WeakPolarHBondContact OE2-CG2 3.21Å; E286-V295 CarbonylContact C-O 3.4Å; E286-F296 HydrophobicContact CB-CE1 4.39Å
287L91Very high88.8Confident74 Ų7459.3 Ų59.339%0.38731%0.313SS..EExtended strand (participates in β ladder)trans-82.1-20.3178.2-64.2174.9000112.7E285 V295 R297 L365E285-L287 HydrophobicContact CG-CD2 4.4Å; E285-L287 PolarHBondContact O-N 2.85Å; E285-L287 WeakPolarHBondContact OE1-CD2 3.39Å; L287-V295 HydrophobicContact CB-CG1 4.28Å; L287-V295 HydrophobicContact CD1-CG1 4.36Å; L287-V295 PolarHBondContact N-O 3.33Å; L287-R297 HydrophobicContact CD1-CB 4.01Å; L287-R297 HydrophobicContact CD2-CB 4.25Å; L287-R297 HydrophobicContact CG-CB 4.13Å; L287-L365 HydrophobicContact CD1-CD1 3.41Å; L287-L365 VanDerWaalsContact CD1-CD1 3.41Å
288G86.5Confident89Confident29 Ų2954.6 Ų54.630%0.29929%0.288SS..EExtended strand (participates in β ladder)trans163.4159.2175.500000113.4V295G288-V295 PolarHBondContact N-O 3.18Å; G288-V295 WeakPolarHBondContact O-CB 3.32Å; G288-V295 PolarHBondContact O-N 2.95Å
289R85.9Confident89.2Confident173 Ų17355.3 Ų55.365%0.65328%0.284SS*.EExtended strand (participates in β ladder)trans-142.9139.4-170.1179.3170.5170.8178.4-3.8111.9E286 T294E286-R289 VanDerWaalsContact OE1-CB 3.24Å; E286-R289 WeakPolarHBondContact OE1-CB 3.39Å; E286-R289 IonicContact OE2-NH1 2.76Å; R289-T294 HydrophobicContact CB-CG2 4.42Å; R289-T294 HydrophobicContact CG-CG2 4.49Å
290G72.2Confident89.3Confident41 Ų4152.6 Ų52.642%0.42327%0.274SS..  trans-121.8-167.4176.500000111.9F292 K293G290-F292 VanDerWaalsContact C-N 3.33Å; G290-F292 PolarHBondContact O-N 3.2Å; G290-K293 PolarHBondContact N-O 3.08Å
291S65.5Low89.2Confident101 Ų10155.9 Ų55.971%0.70629%0.294SS*.SBendtrans-66.5-29.9-179.746.40000114.3
292F69.1Low89.1Confident98 Ų9860.3 Ų60.343%0.4331%0.314SS..SBendtrans-128.8-10.8-176.5-55.2-68.3000114.4G290 L312 Q313 K316G290-F292 VanDerWaalsContact C-N 3.33Å; G290-F292 PolarHBondContact O-N 3.2Å; F292-L312 WeakPolarHBondContact O-CA 3.48Å; F292-Q313 PolarHBondContact O-N 3.09Å; F292-Q313 VanDerWaalsContact O-N 3.17Å; F292-K316 HydrophobicContact CE1-CD 4.36Å
293K81Confident89Confident42 Ų4263.1 Ų63.118%0.18333%0.333CS..EExtended strand (participates in β ladder)trans-122.1144.5-179.564.4161.8165.5172.50112.7G290 V295 E311 L312 D430 L433G290-K293 PolarHBondContact N-O 3.08Å; K293-V295 HydrophobicContact CD-CG2 3.95Å; K293-E311 CarbonylContact C-O 3.53Å; K293-E311 VanDerWaalsContact CA-O 3.32Å; K293-E311 WeakPolarHBondContact CA-O 3.47Å; K293-L312 HydrophobicContact CB-CD2 3.47Å; K293-L312 VanDerWaalsContact CB-CD2 3.47Å; K293-D430 IonicContact NZ-OD1 3.99Å; K293-D430 PolarHBondContact NZ-OD1 3.47Å; K293-D430 IonicContact NZ-OD2 3.47Å; K293-D430 PolarHBondContact NZ-OD2 2.87Å; K293-L433 HydrophobicContact CD-CD1 3.91Å; K293-L433 HydrophobicContact CG-CD1 4.31Å
294T88.5Confident89Confident13 Ų1365.1 Ų65.18%0.0836%0.358CS..EExtended strand (participates in β ladder)trans-118.4136.5157.7-54.50000108.4E286 R289 F296 E311E286-T294 HydrophobicContact CG-CG2 3.68Å; E286-T294 WeakPolarHBondContact OE2-CG2 3.21Å; R289-T294 HydrophobicContact CB-CG2 4.42Å; R289-T294 HydrophobicContact CG-CG2 4.49Å; T294-F296 HydrophobicContact CG2-CD2 4.04Å; T294-F296 HydrophobicContact CG2-CE1 4.46Å; T294-F296 HydrophobicContact CG2-CE2 3.38Å; T294-F296 HydrophobicContact CG2-CZ 3.63Å; T294-E311 PolarHBondContact N-O 3.23Å; T294-E311 PolarHBondContact O-N 3.32Å
295V92.1Very high89.1Confident21 Ų2162.2 Ų62.213%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-112.6124.1179.9-172.70000108.7E286 L287 G288 K293 A308 W309E286-V295 CarbonylContact C-O 3.4Å; L287-V295 HydrophobicContact CB-CG1 4.28Å; L287-V295 HydrophobicContact CD1-CG1 4.36Å; L287-V295 PolarHBondContact N-O 3.33Å; G288-V295 PolarHBondContact N-O 3.18Å; G288-V295 WeakPolarHBondContact O-CB 3.32Å; G288-V295 PolarHBondContact O-N 2.95Å; K293-V295 HydrophobicContact CD-CG2 3.95Å; V295-A308 HydrophobicContact CG1-CB 3.97Å; V295-W309 WeakPolarHBondContact CA-O 3.34Å
296F95.3Very high89.2Confident20 Ų2060.1 Ų60.19%0.08834%0.341CS..EExtended strand (participates in β ladder)trans-111.6157.3176.6-65-93.4000110.4K282 E285 E286 T294 W309 E311K282-F296 HydrophobicContact CD-CG 4.48Å; K282-F296 HydrophobicContact CG-CB 4.09Å; K282-F296 HydrophobicContact CG-CG 4.41Å; E285-F296 CarbonylContact O-C 3.23Å; E285-F296 VanDerWaalsContact O-CA 3.3Å; E285-F296 WeakPolarHBondContact O-CA 3.48Å; E286-F296 HydrophobicContact CB-CE1 4.39Å; T294-F296 HydrophobicContact CG2-CD2 4.04Å; T294-F296 HydrophobicContact CG2-CE1 4.46Å; T294-F296 HydrophobicContact CG2-CE2 3.38Å; T294-F296 HydrophobicContact CG2-CZ 3.63Å; F296-W309 HydrophobicContact CB-CB 4.34Å; F296-W309 PolarHBondContact N-O 3.11Å; F296-W309 PolarHBondContact O-N 2.73Å; F296-E311 HydrophobicContact CD2-CG 4.4Å; F296-E311 HydrophobicContact CE2-CG 4.44Å; F296-E311 WeakPolarHBondContact CE2-OE2 3.49Å
297R96.3Very high89.4Confident63 Ų6355.6 Ų55.624%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-72.6139.5166.4-170.8179.9156.8-142.8-16.4109.9E269 F283 E285 L287 L365E269-R297 IonicContact OE1-CZ 3.82Å; E269-R297 IonicContact OE1-NH1 2.71Å; E269-R297 PolarHBondContact OE1-NH1 2.95Å; E269-R297 IonicContact OE1-NH2 3.51Å; E269-R297 PolarHBondContact OE1-NH2 2.93Å; E269-R297 IonicContact OE2-NH2 3.75Å; F283-R297 PolarHBondContact N-O 3.33Å; E285-R297 HydrophobicContact CB-CB 3.96Å; E285-R297 VanDerWaalsContact CD-CD 3.41Å; E285-R297 HydrophobicContact CG-CB 4.34Å; E285-R297 PolarHBondContact O-N 3.12Å; E285-R297 WeakPolarHBondContact OE1-CD 3.41Å; E285-R297 WeakPolarHBondContact OE2-CD 3.44Å; E285-R297 IonicContact OE2-CZ 2.8Å; E285-R297 IonicContact OE2-NE 3.62Å; E285-R297 IonicContact OE2-NH1 3.64Å; E285-R297 PolarHBondContact OE2-NH1 2.68Å; L287-R297 HydrophobicContact CD1-CB 4.01Å; L287-R297 HydrophobicContact CD2-CB 4.25Å; L287-R297 HydrophobicContact CG-CB 4.13Å; R297-L365 HydrophobicContact CG-CD2 4.42Å
298G96.3Very high89.6Confident1 Ų152.4 Ų52.41%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-136.9177.8171.800000112.9L281 A306 V307L281-G298 CarbonylContact O-C 3.56Å; L281-G298 WeakPolarHBondContact O-CA 3.49Å; G298-A306 CarbonylContact O-C 3.59Å; G298-A306 WeakPolarHBondContact O-CA 3.42Å; G298-V307 PolarHBondContact N-O 2.91Å; G298-V307 PolarHBondContact O-N 2.86Å
299L96.6Very high90Very high49 Ų4951 Ų5126%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-133.2131.1176.1177.469.8000109.8F280 L281 F283F280-L299 WeakPolarHBondContact CA-O 3.36Å; L281-L299 PolarHBondContact N-O 2.93Å; L281-L299 PolarHBondContact O-N 2.98Å; F283-L299 HydrophobicContact CE2-CB 3.67Å; F283-L299 HydrophobicContact CZ-CB 4.04Å
300D97Very high90.3Very high0 Ų043.5 Ų43.50%026%0.264CS..EExtended strand (participates in β ladder)trans-82.8109.1164.4178.210.3000109.4R279 F280 E302 T303 G304 V305 V307R279-D300 VanDerWaalsContact CG-OD1 3.22Å; R279-D300 WeakPolarHBondContact CG-OD1 3.34Å; R279-D300 IonicContact CZ-OD1 3.12Å; R279-D300 IonicContact CZ-OD2 2.72Å; R279-D300 IonicContact NE-OD1 3.47Å; R279-D300 PolarHBondContact NE-OD1 2.9Å; R279-D300 IonicContact NE-OD2 3.62Å; R279-D300 PolarHBondContact NE-OD2 3.4Å; R279-D300 IonicContact NH2-OD1 2.78Å; R279-D300 IonicContact NH2-OD2 3.99Å; R279-D300 PolarHBondContact NH2-OD2 2.87Å; F280-D300 HydrophobicContact CD1-CB 3.85Å; F280-D300 HydrophobicContact CE1-CB 3.8Å; D300-E302 VanDerWaalsContact C-N 3.29Å; D300-E302 PolarHBondContact O-N 2.98Å; D300-E302 PolarHBondContact OD1-N 3.12Å; D300-T303 WeakPolarHBondContact CB-OG1 3.37Å; D300-T303 PolarHBondContact O-N 3.23Å; D300-T303 VanDerWaalsContact OD2-CG2 3.24Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.08Å; D300-T303 PolarHBondContact OD2-OG1 2.8Å; D300-G304 WeakPolarHBondContact O-CA 3.42Å; D300-G304 PolarHBondContact O-N 2.83Å; D300-V305 PolarHBondContact N-O 2.87Å; D300-V307 HydrophobicContact CB-CG1 3.98Å
301T95Very high91.1Very high71 Ų7142.8 Ų42.844%0.43625%0.25SC..THydrogen-bonded Turntrans-72.3-18.9-176.360.60000113.7R279 L281R279-T301 WeakPolarHBondContact O-CB 3.3Å; R279-T301 WeakPolarHBondContact O-CG2 3.49Å; R279-T301 PolarHBondContact O-N 3.45Å; R279-T301 PolarHBondContact O-OG1 3.2Å; L281-T301 HydrophobicContact CD1-CG2 3.64Å; L281-T301 HydrophobicContact CG-CG2 3.76Å
302E94.9Very high91.8Very high130 Ų13038.4 Ų38.461%0.60722%0.218SC*.THydrogen-bonded Turntrans-76-31.7174.9-74.1175.2-163.500112.1R279 D300R279-E302 VanDerWaalsContact CD-CD 3.42Å; R279-E302 WeakPolarHBondContact CD-OE1 3.18Å; R279-E302 HydrophobicContact CG-CB 4.46Å; R279-E302 HydrophobicContact CG-CG 3.97Å; R279-E302 IonicContact CZ-OE2 3.16Å; R279-E302 IonicContact NE-OE2 2.69Å; R279-E302 PolarHBondContact NE-OE2 2.95Å; R279-E302 IonicContact NH1-OE2 3.39Å; R279-E302 PolarHBondContact NH1-OE2 3.3Å; R279-E302 IonicContact NH2-OE2 3.52Å; D300-E302 VanDerWaalsContact C-N 3.29Å; D300-E302 PolarHBondContact O-N 2.98Å; D300-E302 PolarHBondContact OD1-N 3.12Å
303T94.3Very high92Very high78 Ų7837.6 Ų37.648%0.47922%0.215SC..THydrogen-bonded Turntrans-112.4-15.3-174.163.30000114.2D300 V305D300-T303 WeakPolarHBondContact CB-OG1 3.37Å; D300-T303 PolarHBondContact O-N 3.23Å; D300-T303 VanDerWaalsContact OD2-CG2 3.24Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.08Å; D300-T303 PolarHBondContact OD2-OG1 2.8Å; T303-V305 PolarHBondContact O-N 2.88Å; T303-V305 WeakPolarHBondContact OG1-CB 3.31Å; T303-V305 PolarHBondContact OG1-N 2.78Å
304G93.2Very high91.3Very high58 Ų5836.5 Ų36.560%0.59821%0.211SC*.THydrogen-bonded Turntrans69.813.5-171.700000113.8D300D300-G304 WeakPolarHBondContact O-CA 3.42Å; D300-G304 PolarHBondContact O-N 2.83Å
305V94.2Very high89.9Confident69 Ų6939.8 Ų39.842%0.41823%0.234SC..EExtended strand (participates in β ladder)trans-94.6132.8-176179.70000110.4D300 T303D300-V305 PolarHBondContact N-O 2.87Å; T303-V305 PolarHBondContact O-N 2.88Å; T303-V305 WeakPolarHBondContact OG1-CB 3.31Å; T303-V305 PolarHBondContact OG1-N 2.78Å
306A95.6Very high88.3Confident37 Ų3745.2 Ų45.231%0.30626%0.257SS..EExtended strand (participates in β ladder)trans-68.9134.3173.400000110.8G298 L365G298-A306 CarbonylContact O-C 3.59Å; G298-A306 WeakPolarHBondContact O-CA 3.42Å; A306-L365 HydrophobicContact CB-CD2 3.68Å; A306-L365 VanDerWaalsContact O-CB 3.32Å; A306-L365 WeakPolarHBondContact O-CB 3.3Å
307V96.3Very high86.8Confident0 Ų045.9 Ų45.90%026%0.261CS..EExtended strand (participates in β ladder)trans-121.2160.9-177-65.30000110.6F280 G298 D300 Y344 V362 T363F280-V307 HydrophobicContact CD1-CG2 4.25Å; G298-V307 PolarHBondContact N-O 2.91Å; G298-V307 PolarHBondContact O-N 2.86Å; D300-V307 HydrophobicContact CB-CG1 3.98Å; V307-Y344 HydrophobicContact CG1-CD2 3.98Å; V307-Y344 HydrophobicContact CG1-CE2 3.7Å; V307-V362 HydrophobicContact CB-CG1 3.75Å; V307-V362 HydrophobicContact CG1-CG1 4.17Å; V307-V362 HydrophobicContact CG2-CG1 3.67Å; V307-T363 WeakPolarHBondContact CA-O 3.37Å; V307-T363 WeakPolarHBondContact CB-O 3.18Å
308A96Very high85.5Confident7 Ų748 Ų486%0.05828%0.277CS..EExtended strand (participates in β ladder)trans-90.8127.9165.900000108.9V295 V362 T363 L365V295-A308 HydrophobicContact CG1-CB 3.97Å; A308-V362 WeakPolarHBondContact O-CA 3.12Å; A308-T363 PolarHBondContact N-O 3.3Å; A308-T363 PolarHBondContact O-N 2.66Å; A308-L365 HydrophobicContact CB-CD1 4.21Å
309W95.1Very high84.4Confident0 Ų056 Ų560%031%0.312CS..EExtended strand (participates in β ladder)trans-105.5107.1176.2176.1-68.5000108D273 F280 K282 V295 F296 E311 W347 V360D273-W309 HydrophobicContact CB-CH2 4.1Å; D273-W309 HydrophobicContact CB-CZ2 3.9Å; D273-W309 WeakPolarHBondContact OD2-CZ2 3.38Å; F280-W309 HydrophobicContact CB-CE3 4.38Å; F280-W309 HydrophobicContact CB-CZ3 4.21Å; K282-W309 HydrophobicContact CB-CD2 3.74Å; K282-W309 HydrophobicContact CB-CE3 3.87Å; K282-W309 HydrophobicContact CB-CG 4.25Å; K282-W309 HydrophobicContact CB-CH2 4.03Å; K282-W309 HydrophobicContact CB-CZ2 3.94Å; K282-W309 HydrophobicContact CB-CZ3 4.01Å; K282-W309 HydrophobicContact CD-CD2 4.38Å; K282-W309 HydrophobicContact CD-CG 4.46Å; K282-W309 HydrophobicContact CD-CZ2 4.15Å; K282-W309 HydrophobicContact CG-CD2 3.98Å; K282-W309 HydrophobicContact CG-CG 4Å; K282-W309 HydrophobicContact CG-CZ2 4.43Å; V295-W309 WeakPolarHBondContact CA-O 3.34Å; F296-W309 HydrophobicContact CB-CB 4.34Å; F296-W309 PolarHBondContact N-O 3.11Å; F296-W309 PolarHBondContact O-N 2.73Å; W309-E311 PolarHBondContact NE1-OE1 3.43Å; W309-W347 HydrophobicContact CE3-CH2 4.36Å; W309-W347 HydrophobicContact CE3-CZ2 4.35Å; W309-W347 HydrophobicContact CH2-CH2 4.29Å; W309-W347 AromaticContact CH2-CZ2 3.58Å; W309-W347 HydrophobicContact CH2-CZ2 3.58Å; W309-W347 HydrophobicContact CZ2-CZ2 4.01Å; W309-W347 AromaticContact CZ3-CH2 3.98Å; W309-W347 HydrophobicContact CZ3-CH2 3.98Å; W309-W347 AromaticContact CZ3-CZ2 3.74Å; W309-W347 HydrophobicContact CZ3-CZ2 3.74Å; W309-V360 HydrophobicContact CD2-CG1 3.75Å; W309-V360 HydrophobicContact CE3-CG1 4.34Å; W309-V360 HydrophobicContact CG-CG1 4.1Å; W309-V360 HydrophobicContact CZ2-CG1 3.98Å; W309-V360 HydrophobicContact CZ2-CG2 4.05Å
310C92.2Very high83.1Confident14 Ų1458 Ų5810%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-104.2119.7-173.1-63.80000110.5V360 L361C310-V360 CarbonylContact O-C 3.59Å; C310-V360 WeakPolarHBondContact O-CA 3.41Å; C310-L361 HydrophobicContact CB-CB 4.27Å; C310-L361 WeakPolarHBondContact CB-O 3.26Å; C310-L361 PolarHBondContact N-O 3.43Å; C310-L361 PolarHBondContact O-N 3.14Å
311E89.3Confident81.6Confident27 Ų2759.1 Ų59.113%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-106.1121.3179-62.3-176.1156.600110.8K282 K293 T294 F296 W309 Y358 I359 V360K282-E311 WeakPolarHBondContact CE-OE1 3.36Å; K282-E311 IonicContact NZ-OE1 3.67Å; K282-E311 PolarHBondContact NZ-OE1 2.74Å; K282-E311 IonicContact NZ-OE2 3.76Å; K282-E311 PolarHBondContact NZ-OE2 2.98Å; K293-E311 CarbonylContact C-O 3.53Å; K293-E311 VanDerWaalsContact CA-O 3.32Å; K293-E311 WeakPolarHBondContact CA-O 3.47Å; T294-E311 PolarHBondContact N-O 3.23Å; T294-E311 PolarHBondContact O-N 3.32Å; F296-E311 HydrophobicContact CD2-CG 4.4Å; F296-E311 HydrophobicContact CE2-CG 4.44Å; F296-E311 WeakPolarHBondContact CE2-OE2 3.49Å; W309-E311 PolarHBondContact NE1-OE1 3.43Å; E311-Y358 HydrophobicContact CB-CD2 4.2Å; E311-Y358 HydrophobicContact CG-CD2 4.04Å; E311-Y358 HydrophobicContact CG-CE2 4.14Å; E311-Y358 WeakPolarHBondContact OE1-CE2 3.49Å; E311-I359 CarbonylContact C-O 3.21Å; E311-I359 WeakPolarHBondContact CA-O 3.29Å; E311-V360 HydrophobicContact CG-CG2 4.46Å
312L80.1Confident80.5Confident8 Ų857.5 Ų57.54%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-103130.2176.8-49.8-173.4000111F292 K293 E314 Y358 I359 L361 L433 L436F292-L312 WeakPolarHBondContact O-CA 3.48Å; K293-L312 HydrophobicContact CB-CD2 3.47Å; K293-L312 VanDerWaalsContact CB-CD2 3.47Å; L312-E314 PolarHBondContact O-N 2.9Å; L312-Y358 VanDerWaalsContact O-CA 3.25Å; L312-Y358 WeakPolarHBondContact O-CA 3.46Å; L312-Y358 VanDerWaalsContact O-CB 3.3Å; L312-Y358 WeakPolarHBondContact O-CB 3.35Å; L312-I359 HydrophobicContact CB-CB 4.28Å; L312-I359 PolarHBondContact N-O 3.12Å; L312-I359 PolarHBondContact O-N 2.93Å; L312-L361 HydrophobicContact CD1-CD1 3.53Å; L312-L361 HydrophobicContact CD2-CD1 4.3Å; L312-L361 HydrophobicContact CG-CD1 3.52Å; L312-L433 HydrophobicContact CD1-CD2 3.78Å; L312-L433 HydrophobicContact CD2-CD2 3.8Å; L312-L433 HydrophobicContact CG-CD2 4.48Å; L312-L436 HydrophobicContact CD1-CD1 3.51Å
313Q73.2Confident79.5Confident81 Ų8155.1 Ų55.138%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-78.1113.9-178.6-60.9-172.81600111F292 S315F292-Q313 PolarHBondContact O-N 3.09Å; F292-Q313 VanDerWaalsContact O-N 3.17Å; Q313-S315 PolarHBondContact O-N 3.44Å
314E65.7Low78.3Confident19 Ų1957.3 Ų57.39%0.08931%0.305CS..  trans-74.3-6.9-171.9-157.7-169.8-98.500114.1L312 K316 L317 R322 K357L312-E314 PolarHBondContact O-N 2.9Å; E314-K316 PolarHBondContact O-N 2.61Å; E314-L317 HydrophobicContact CG-CB 4.32Å; E314-L317 PolarHBondContact O-N 2.91Å; E314-R322 IonicContact OE1-CZ 3.67Å; E314-R322 VanDerWaalsContact OE1-CZ 3.27Å; E314-R322 IonicContact OE1-NH1 2.71Å; E314-R322 PolarHBondContact OE1-NH1 2.85Å; E314-R322 IonicContact OE1-NH2 2.76Å; E314-R322 IonicContact OE2-CZ 3.69Å; E314-R322 IonicContact OE2-NH1 3.84Å; E314-R322 PolarHBondContact OE2-NH1 3.13Å; E314-R322 IonicContact OE2-NH2 3.28Å; E314-R322 PolarHBondContact OE2-NH2 3.33Å; E314-K357 HydrophobicContact CB-CB 4.16Å; E314-K357 WeakPolarHBondContact CB-O 3.31Å; E314-K357 HydrophobicContact CG-CB 4.42Å; E314-K357 PolarHBondContact N-O 3.08Å; E314-K357 WeakPolarHBondContact OE1-CB 3.27Å; E314-K357 VanDerWaalsContact OE2-CB 3.23Å; E314-K357 WeakPolarHBondContact OE2-CB 3.21Å; E314-K357 VanDerWaalsContact OE2-CD 3.22Å; E314-K357 WeakPolarHBondContact OE2-CD 3.38Å
315S59.2Low77.3Confident82 Ų8254.6 Ų54.657%0.57328%0.277SS*.THydrogen-bonded Turntrans-65.911.2-167.758.40000116.5Q313Q313-S315 PolarHBondContact O-N 3.44Å
316K59.5Low76.5Confident136 Ų13654.8 Ų54.859%0.59127%0.27SS*.THydrogen-bonded Turntrans-134.62.7172.6-61-168.8178.9-170.30114F292 E314F292-K316 HydrophobicContact CE1-CD 4.36Å; E314-K316 PolarHBondContact O-N 2.61Å
317L63.5Low75.6Confident34 Ų3457.9 Ų57.918%0.17828%0.278CS..  trans-101117.3-172.6-75.3167000113.4E314 E321 I359 L436E314-L317 HydrophobicContact CG-CB 4.32Å; E314-L317 PolarHBondContact O-N 2.91Å; L317-E321 HydrophobicContact CD2-CB 3.8Å; L317-I359 HydrophobicContact CD1-CD1 4.37Å; L317-L436 HydrophobicContact CD1-CD2 3.99Å; L317-L436 HydrophobicContact CD2-CD2 3.79Å
318N67.3Low74.7Confident107 Ų10759.6 Ų59.657%0.57229%0.286SS*.  trans-72.8164.2176.3-163.4-3.6000111.9T320 E321 R322N318-T320 VanDerWaalsContact C-N 3.28Å; N318-T320 PolarHBondContact O-N 3.33Å; N318-E321 WeakPolarHBondContact CA-OE2 3.37Å; N318-E321 HydrophobicContact CB-CG 4.49Å; N318-E321 WeakPolarHBondContact CB-OE2 3.27Å; N318-E321 PolarHBondContact N-OE2 3.49Å; N318-E321 PolarHBondContact O-N 3.43Å; N318-R322 WeakPolarHBondContact O-CB 3.24Å; N318-R322 PolarHBondContact O-N 3.28Å
319K73.4Confident73.9Confident170 Ų17059.3 Ų59.374%0.73928%0.284SS*.Hα-helixtrans-57.7-37.3-176.8-173.1178.6177.2-174.80112.9Q323K319-Q323 PolarHBondContact O-N 2.84Å
320T69.2Low73.3Confident89 Ų8963.8 Ų63.855%0.54631%0.305SS..Hα-helixtrans-74.8-42.2179.8-48.80000112.4N318 R322 Q323 R324N318-T320 VanDerWaalsContact C-N 3.28Å; N318-T320 PolarHBondContact O-N 3.33Å; T320-R322 VanDerWaalsContact C-N 3.32Å; T320-R322 PolarHBondContact O-N 3.42Å; T320-Q323 PolarHBondContact O-N 2.99Å; T320-R324 PolarHBondContact O-N 2.95Å; T320-R324 VanDerWaalsContact O-N 3.11Å
321E66.2Low72.7Confident25 Ų2567.1 Ų67.112%0.11732%0.32CS..Hα-helixtrans-61.6-42.4175.1-63.9166.2121.600110.6L317 N318 Q323 R324 F325 S440L317-E321 HydrophobicContact CD2-CB 3.8Å; N318-E321 WeakPolarHBondContact CA-OE2 3.37Å; N318-E321 HydrophobicContact CB-CG 4.49Å; N318-E321 WeakPolarHBondContact CB-OE2 3.27Å; N318-E321 PolarHBondContact N-OE2 3.49Å; N318-E321 PolarHBondContact O-N 3.43Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 3.48Å; E321-R324 PolarHBondContact O-N 2.91Å; E321-F325 WeakPolarHBondContact O-CB 3.33Å; E321-F325 PolarHBondContact O-N 2.85Å; E321-S440 WeakPolarHBondContact OE1-CB 3.23Å; E321-S440 PolarHBondContact OE1-OG 3.36Å
322R71.6Confident72.4Confident36 Ų3666.5 Ų66.514%0.13632%0.317CS..Hα-helixtrans-62.3-36174.7-169.8-158-56.4-112.1-11.9113.1E314 N318 T320 R326 E348E314-R322 IonicContact OE1-CZ 3.67Å; E314-R322 VanDerWaalsContact OE1-CZ 3.27Å; E314-R322 IonicContact OE1-NH1 2.71Å; E314-R322 PolarHBondContact OE1-NH1 2.85Å; E314-R322 IonicContact OE1-NH2 2.76Å; E314-R322 IonicContact OE2-CZ 3.69Å; E314-R322 IonicContact OE2-NH1 3.84Å; E314-R322 PolarHBondContact OE2-NH1 3.13Å; E314-R322 IonicContact OE2-NH2 3.28Å; E314-R322 PolarHBondContact OE2-NH2 3.33Å; N318-R322 WeakPolarHBondContact O-CB 3.24Å; N318-R322 PolarHBondContact O-N 3.28Å; T320-R322 VanDerWaalsContact C-N 3.32Å; T320-R322 PolarHBondContact O-N 3.42Å; R322-R326 VanDerWaalsContact CD-NH1 3.27Å; R322-R326 WeakPolarHBondContact O-CG 2.76Å; R322-R326 PolarHBondContact O-N 3.4Å; R322-R326 VanDerWaalsContact O-N 3.17Å; R322-E348 WeakPolarHBondContact CD-OE2 3.21Å; R322-E348 IonicContact CZ-OE2 2.66Å; R322-E348 IonicContact NH1-OE2 3.63Å; R322-E348 PolarHBondContact NH1-OE2 2.68Å
323Q73.8Confident72.7Confident80 Ų8068 Ų6837%0.37432%0.324SS..Hα-helixtrans-67.6-48176.517858.529.100111.1K319 T320 E321 F325 R326 E327K319-Q323 PolarHBondContact O-N 2.84Å; T320-Q323 PolarHBondContact O-N 2.99Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 3.48Å; Q323-F325 VanDerWaalsContact C-N 3.32Å; Q323-F325 PolarHBondContact O-N 2.91Å; Q323-R326 PolarHBondContact O-N 3.28Å; Q323-R326 VanDerWaalsContact O-N 3.1Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.47Å; Q323-E327 PolarHBondContact NE2-OE1 3.09Å; Q323-E327 PolarHBondContact O-N 3.47Å
324R69Low73.3Confident124 Ų12470.5 Ų70.547%0.46834%0.339SS..Hα-helixtrans-56.1-47.3174.7-71.3179.3172.8175.1-4.6111.4T320 E321 R326 E327 E328T320-R324 PolarHBondContact O-N 2.95Å; T320-R324 VanDerWaalsContact O-N 3.11Å; E321-R324 PolarHBondContact O-N 2.91Å; R324-R326 VanDerWaalsContact C-N 3.27Å; R324-R326 PolarHBondContact O-N 3.25Å; R324-E327 WeakPolarHBondContact O-CB 3.08Å; R324-E327 PolarHBondContact O-N 2.99Å; R324-E327 VanDerWaalsContact O-N 3.1Å; R324-E328 VanDerWaalsContact C-OE2 3.31Å; R324-E328 WeakPolarHBondContact O-CB 3.5Å; R324-E328 VanDerWaalsContact O-CD 3.27Å; R324-E328 WeakPolarHBondContact O-CG 3.48Å; R324-E328 PolarHBondContact O-N 3.4Å
325F73.7Confident74.3Confident2 Ų270.1 Ų70.11%0.00934%0.338CS..Hα-helixtrans-56.1-39.3176.8175.8-93.1000113.1E321 Q323 E328 A329 Y346 I359 L361 L436E321-F325 WeakPolarHBondContact O-CB 3.33Å; E321-F325 PolarHBondContact O-N 2.85Å; Q323-F325 VanDerWaalsContact C-N 3.32Å; Q323-F325 PolarHBondContact O-N 2.91Å; F325-E328 WeakPolarHBondContact CA-OE2 3.46Å; F325-E328 PolarHBondContact N-OE2 3.48Å; F325-E328 PolarHBondContact O-N 3.13Å; F325-A329 HydrophobicContact CD1-CB 4.37Å; F325-A329 HydrophobicContact CE1-CB 3.75Å; F325-A329 HydrophobicContact CE2-CB 4.07Å; F325-A329 HydrophobicContact CZ-CB 3.61Å; F325-A329 WeakPolarHBondContact O-CB 3.42Å; F325-A329 PolarHBondContact O-N 2.9Å; F325-Y346 AromaticContact CE1-CD2 3.9Å; F325-Y346 HydrophobicContact CE1-CD2 3.9Å; F325-Y346 HydrophobicContact CE1-CE2 4.27Å; F325-Y346 HydrophobicContact CE1-CG 4.45Å; F325-I359 HydrophobicContact CD1-CD1 3.71Å; F325-I359 HydrophobicContact CD1-CG2 4.26Å; F325-I359 HydrophobicContact CE1-CD1 3.9Å; F325-I359 HydrophobicContact CE1-CG2 3.38Å; F325-I359 HydrophobicContact CG-CD1 4.31Å; F325-I359 HydrophobicContact CZ-CG2 3.7Å; F325-L361 HydrophobicContact CE2-CD2 4.03Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å; F325-L361 HydrophobicContact CZ-CD2 3.75Å; F325-L361 HydrophobicContact CZ-CG 4.03Å; F325-L436 HydrophobicContact CB-CD2 3.77Å; F325-L436 HydrophobicContact CD2-CD1 3.62Å; F325-L436 HydrophobicContact CD2-CD2 3.67Å; F325-L436 HydrophobicContact CD2-CG 3.57Å; F325-L436 HydrophobicContact CE2-CD1 3.83Å; F325-L436 HydrophobicContact CE2-CG 4.26Å; F325-L436 HydrophobicContact CG-CD2 3.92Å; F325-L436 HydrophobicContact CG-CG 4.34Å
326R77.1Confident75.9Confident72 Ų7271.6 Ų71.627%0.27234%0.336SS..Hα-helixtrans-66.4-40.9177.5-75.9-170.1-65.9-111.90.9112.8R322 Q323 R324 E330 Y346 E348R322-R326 VanDerWaalsContact CD-NH1 3.27Å; R322-R326 WeakPolarHBondContact O-CG 2.76Å; R322-R326 PolarHBondContact O-N 3.4Å; R322-R326 VanDerWaalsContact O-N 3.17Å; Q323-R326 PolarHBondContact O-N 3.28Å; Q323-R326 VanDerWaalsContact O-N 3.1Å; R324-R326 VanDerWaalsContact C-N 3.27Å; R324-R326 PolarHBondContact O-N 3.25Å; R326-E330 WeakPolarHBondContact O-CB 3.21Å; R326-E330 PolarHBondContact O-N 2.86Å; R326-E330 VanDerWaalsContact O-N 3.09Å; R326-Y346 WeakPolarHBondContact CA-OH 3.45Å; R326-Y346 WeakPolarHBondContact CB-OH 3.42Å; R326-Y346 HydrophobicContact CG-CE2 3.98Å; R326-Y346 PolarHBondContact O-OH 2.96Å; R326-Y346 VanDerWaalsContact O-OH 3.13Å; R326-E348 IonicContact CZ-OE1 2.81Å; R326-E348 IonicContact NH1-OE1 2.66Å; R326-E348 PolarHBondContact NH1-OE1 3.33Å
327E76.7Confident77.5Confident103 Ų10367.1 Ų67.148%0.48132%0.317SS..Hα-helixtrans-63.8-44.9175.9-67.4158.6-172.800110.5Q323 R324 E330 M331Q323-E327 WeakPolarHBondContact CG-OE1 3.47Å; Q323-E327 PolarHBondContact NE2-OE1 3.09Å; Q323-E327 PolarHBondContact O-N 3.47Å; R324-E327 WeakPolarHBondContact O-CB 3.08Å; R324-E327 PolarHBondContact O-N 2.99Å; R324-E327 VanDerWaalsContact O-N 3.1Å; E327-E330 PolarHBondContact O-N 2.77Å; E327-M331 WeakPolarHBondContact O-CG 3.36Å; E327-M331 PolarHBondContact O-N 3.43Å; E327-M331 VanDerWaalsContact O-N 3.13Å
328E76.2Confident79Confident36 Ų3670 Ų7017%0.16834%0.337CS..Hα-helixtrans-69-46-179.3-66157.7159.500111.9R324 F325 E330 M331 L332 T435R324-E328 VanDerWaalsContact C-OE2 3.31Å; R324-E328 WeakPolarHBondContact O-CB 3.5Å; R324-E328 VanDerWaalsContact O-CD 3.27Å; R324-E328 WeakPolarHBondContact O-CG 3.48Å; R324-E328 PolarHBondContact O-N 3.4Å; F325-E328 WeakPolarHBondContact CA-OE2 3.46Å; F325-E328 PolarHBondContact N-OE2 3.48Å; F325-E328 PolarHBondContact O-N 3.13Å; E328-E330 VanDerWaalsContact C-N 3.26Å; E328-E330 PolarHBondContact O-N 3.07Å; E328-M331 HydrophobicContact CB-CE 4.47Å; E328-M331 HydrophobicContact CG-CE 4.14Å; E328-M331 WeakPolarHBondContact O-CB 3.29Å; E328-M331 PolarHBondContact O-N 2.9Å; E328-M331 VanDerWaalsContact O-N 3.16Å; E328-L332 WeakPolarHBondContact O-CG 3.14Å; E328-L332 PolarHBondContact O-N 2.91Å; E328-T435 HydrophobicContact CB-CG2 4.3Å; E328-T435 VanDerWaalsContact CD-OG1 3.23Å; E328-T435 HydrophobicContact CG-CG2 4.04Å; E328-T435 VanDerWaalsContact OE1-CB 3.31Å; E328-T435 WeakPolarHBondContact OE1-CB 3.47Å; E328-T435 WeakPolarHBondContact OE2-CB 3.38Å; E328-T435 PolarHBondContact OE2-OG1 3.04Å
329A79.6Confident80.4Confident0 Ų065.4 Ų65.40%031%0.313CS..Hα-helixtrans-69.7-20.7178.100000113.3F325 F343 Y346F325-A329 HydrophobicContact CD1-CB 4.37Å; F325-A329 HydrophobicContact CE1-CB 3.75Å; F325-A329 HydrophobicContact CE2-CB 4.07Å; F325-A329 HydrophobicContact CZ-CB 3.61Å; F325-A329 WeakPolarHBondContact O-CB 3.42Å; F325-A329 PolarHBondContact O-N 2.9Å; A329-F343 HydrophobicContact CB-CZ 4.36Å; A329-F343 WeakPolarHBondContact O-CE1 3.32Å; A329-Y346 HydrophobicContact CB-CD1 3.35Å; A329-Y346 HydrophobicContact CB-CD2 4.18Å; A329-Y346 HydrophobicContact CB-CE1 3.6Å; A329-Y346 HydrophobicContact CB-CE2 4.41Å; A329-Y346 HydrophobicContact CB-CG 3.68Å; A329-Y346 WeakPolarHBondContact O-CD1 3.26Å
330E81.9Confident81.4Confident95 Ų9557.4 Ų57.444%0.44428%0.278SS..Hα-helixtrans-72.7-48.5166.7-156.166.6-155.700110.5R326 E327 E328 L332 K333 Y346R326-E330 WeakPolarHBondContact O-CB 3.21Å; R326-E330 PolarHBondContact O-N 2.86Å; R326-E330 VanDerWaalsContact O-N 3.09Å; E327-E330 PolarHBondContact O-N 2.77Å; E328-E330 VanDerWaalsContact C-N 3.26Å; E328-E330 PolarHBondContact O-N 3.07Å; E330-L332 PolarHBondContact O-N 3.38Å; E330-K333 WeakPolarHBondContact O-CB 3.41Å; E330-K333 PolarHBondContact O-N 3.04Å; E330-K333 WeakPolarHBondContact OE1-CD 3.5Å; E330-K333 IonicContact OE1-NZ 3.38Å; E330-K333 PolarHBondContact OE1-NZ 3.34Å; E330-K333 WeakPolarHBondContact OE2-CE 3.47Å; E330-K333 IonicContact OE2-NZ 2.74Å; E330-K333 PolarHBondContact OE2-NZ 3.05Å; E330-Y346 HydrophobicContact CB-CE1 4.44Å; E330-Y346 VanDerWaalsContact OE2-CE1 3.27Å; E330-Y346 WeakPolarHBondContact OE2-CE1 3.46Å
331M79.6Confident82.6Confident83 Ų8353.9 Ų53.941%0.40926%0.256SS..Hα-helixtrans-56.1-33.2174.5-69.7-168.7-66.600113E327 E328 K333 D334 P405E327-M331 WeakPolarHBondContact O-CG 3.36Å; E327-M331 PolarHBondContact O-N 3.43Å; E327-M331 VanDerWaalsContact O-N 3.13Å; E328-M331 HydrophobicContact CB-CE 4.47Å; E328-M331 HydrophobicContact CG-CE 4.14Å; E328-M331 WeakPolarHBondContact O-CB 3.29Å; E328-M331 PolarHBondContact O-N 2.9Å; E328-M331 VanDerWaalsContact O-N 3.16Å; M331-K333 VanDerWaalsContact C-N 3.3Å; M331-K333 PolarHBondContact O-N 2.75Å; M331-D334 PolarHBondContact O-N 3.28Å; M331-P405 HydrophobicContact SD-CG 3.97Å
332L83.8Confident83.9Confident14 Ų1456.6 Ų56.67%0.07327%0.266CS..Hα-helixtrans-65.8-26.6178.3-69.5179.8000113.6E328 E330 D334 L335 F343 L431 G432E328-L332 WeakPolarHBondContact O-CG 3.14Å; E328-L332 PolarHBondContact O-N 2.91Å; E330-L332 PolarHBondContact O-N 3.38Å; L332-D334 VanDerWaalsContact C-N 3.29Å; L332-D334 PolarHBondContact O-N 3.34Å; L332-L335 HydrophobicContact CD2-CD1 3.5Å; L332-L335 HydrophobicContact CD2-CG 4.45Å; L332-L335 WeakPolarHBondContact O-CB 3.33Å; L332-L335 PolarHBondContact O-N 2.8Å; L332-F343 HydrophobicContact CB-CB 4.31Å; L332-F343 HydrophobicContact CB-CD1 3.88Å; L332-F343 HydrophobicContact CB-CD2 4.22Å; L332-F343 HydrophobicContact CB-CE1 4.18Å; L332-F343 HydrophobicContact CB-CG 3.89Å; L332-F343 HydrophobicContact CB-CZ 4.49Å; L332-F343 HydrophobicContact CD1-CD2 4.46Å; L332-F343 HydrophobicContact CD1-CE2 4.29Å; L332-F343 WeakPolarHBondContact O-CB 3.38Å; L332-L431 HydrophobicContact CD1-CB 4.35Å; L332-L431 HydrophobicContact CD2-CB 3.84Å; L332-L431 HydrophobicContact CD2-CD1 4.25Å; L332-G432 VanDerWaalsContact CD1-CA 3.49Å
333K87Confident84.8Confident41 Ų4155.5 Ų55.518%0.17826%0.262CS..Hα-helixtrans-63.3-33.8179.7-65.3173-178.7178.20112.8E330 M331 L335 F343 D345E330-K333 WeakPolarHBondContact O-CB 3.41Å; E330-K333 PolarHBondContact O-N 3.04Å; E330-K333 WeakPolarHBondContact OE1-CD 3.5Å; E330-K333 IonicContact OE1-NZ 3.38Å; E330-K333 PolarHBondContact OE1-NZ 3.34Å; E330-K333 WeakPolarHBondContact OE2-CE 3.47Å; E330-K333 IonicContact OE2-NZ 2.74Å; E330-K333 PolarHBondContact OE2-NZ 3.05Å; M331-K333 VanDerWaalsContact C-N 3.3Å; M331-K333 PolarHBondContact O-N 2.75Å; K333-L335 VanDerWaalsContact C-N 3.31Å; K333-F343 HydrophobicContact CG-CD1 3.82Å; K333-F343 HydrophobicContact CG-CE1 4.1Å; K333-D345 WeakPolarHBondContact CE-OD1 3.27Å; K333-D345 IonicContact NZ-OD1 2.68Å; K333-D345 PolarHBondContact NZ-OD1 3.08Å
334D84.3Confident85.7Confident132 Ų13254.2 Ų54.271%0.70625%0.254SS*.THydrogen-bonded Turntrans-82.3-6.9-179.5-71.6-30.7000113.4M331 L332 Q336M331-D334 PolarHBondContact O-N 3.28Å; L332-D334 VanDerWaalsContact C-N 3.29Å; L332-D334 PolarHBondContact O-N 3.34Å; D334-Q336 PolarHBondContact O-N 2.75Å
335L87.9Confident86.8Confident12 Ų1249.9 Ų49.96%0.06324%0.24CC..  trans-76.295.3-180-61.3-169.5000112.2L332 K333 F399 L400 R403 L431L332-L335 HydrophobicContact CD2-CD1 3.5Å; L332-L335 HydrophobicContact CD2-CG 4.45Å; L332-L335 WeakPolarHBondContact O-CB 3.33Å; L332-L335 PolarHBondContact O-N 2.8Å; K333-L335 VanDerWaalsContact C-N 3.31Å; L335-F399 HydrophobicContact CB-CE1 4.13Å; L335-F399 HydrophobicContact CD2-CE1 3.97Å; L335-F399 HydrophobicContact CD2-CZ 4.27Å; L335-L400 HydrophobicContact CD1-CD2 3.77Å; L335-R403 HydrophobicContact CD2-CG 3.77Å; L335-L431 HydrophobicContact CD1-CD1 4.04Å
336Q92Very high87.6Confident113 Ų11351.4 Ų51.453%0.52825%0.246SC..  trans-118.2103.3179.5-55-17142.700111.1D334D334-Q336 PolarHBondContact O-N 2.75Å
337H94.4Very high88.2Confident41 Ų4148.7 Ų48.719%0.1924%0.236CC..  trans-148.4139.9178-178.9-101.6000110.5N339 I340 K395 F399H337-N339 PolarHBondContact ND1-N 2.93Å; H337-N339 PolarHBondContact O-N 2.82Å; H337-N339 VanDerWaalsContact O-N 3.1Å; H337-I340 HydrophobicContact CB-CB 4.24Å; H337-I340 HydrophobicContact CB-CG1 3.85Å; H337-I340 PolarHBondContact O-N 3.38Å; H337-K395 PolarHBondContact CE1-O 2.91Å; H337-F399 HydrophobicContact CB-CB 4.33Å; H337-F399 HydrophobicContact CB-CD1 3.58Å; H337-F399 HydrophobicContact CB-CD2 3.85Å; H337-F399 HydrophobicContact CB-CE1 3.74Å; H337-F399 HydrophobicContact CB-CE2 3.99Å; H337-F399 HydrophobicContact CB-CG 3.64Å; H337-F399 HydrophobicContact CB-CZ 3.94Å; H337-F399 AromaticContact CD2-CD2 3.83Å; H337-F399 AromaticContact CD2-CG 3.81Å; H337-F399 AromaticContact CG-CG 3.67Å
338P94Very high88.6Confident94 Ų9445.9 Ų45.961%0.6122%0.223SC*.THydrogen-bonded Turntrans-57.8-27.9-176.320.9-35.2000114.5K427P338-K427 VanDerWaalsContact O-CE 3.31Å; P338-K427 WeakPolarHBondContact O-CE 3.36Å; P338-K427 VanDerWaalsContact O-CG 3.28Å; P338-K427 WeakPolarHBondContact O-CG 3.22Å
339N96.3Very high89Confident11 Ų1145.3 Ų45.36%0.05922%0.222CC..THydrogen-bonded Turntrans-101.518.9178.2-53.9116.2000114.1H337 Q392 V426 K427 I428H337-N339 PolarHBondContact ND1-N 2.93Å; H337-N339 PolarHBondContact O-N 2.82Å; H337-N339 VanDerWaalsContact O-N 3.1Å; N339-Q392 VanDerWaalsContact CB-O 3.29Å; N339-Q392 WeakPolarHBondContact CB-O 3.28Å; N339-Q392 WeakPolarHBondContact ND2-CB 3.42Å; N339-Q392 WeakPolarHBondContact ND2-CG 3.5Å; N339-Q392 PolarHBondContact ND2-OE1 2.74Å; N339-V426 WeakPolarHBondContact CA-O 3.41Å; N339-V426 WeakPolarHBondContact CB-O 3.47Å; N339-V426 PolarHBondContact ND2-O 3.16Å; N339-K427 WeakPolarHBondContact O-CA 3.44Å; N339-I428 PolarHBondContact O-N 3.14Å
340I95Very high89Confident2 Ų247.7 Ų47.71%0.0124%0.242CC..BIsolated β-bridgetrans-116.7144.8167.7-58.4-61.2000108.2H337 R342 F399 L400 K427 I428 L431H337-I340 HydrophobicContact CB-CB 4.24Å; H337-I340 HydrophobicContact CB-CG1 3.85Å; H337-I340 PolarHBondContact O-N 3.38Å; I340-R342 PolarHBondContact O-N 2.65Å; I340-F399 HydrophobicContact CG1-CD1 4.03Å; I340-F399 HydrophobicContact CG1-CE1 4.43Å; I340-L400 HydrophobicContact CD1-CD1 3.79Å; I340-L400 HydrophobicContact CD1-CD2 4.08Å; I340-L400 HydrophobicContact CD1-CG 3.89Å; I340-L400 HydrophobicContact CG1-CD2 4.46Å; I340-K427 PolarHBondContact O-NZ 3.34Å; I340-I428 CarbonylContact C-O 3.56Å; I340-I428 WeakPolarHBondContact CA-O 3.27Å; I340-I428 HydrophobicContact CD1-CB 3.98Å; I340-I428 HydrophobicContact CD1-CD1 4.28Å; I340-I428 HydrophobicContact CD1-CG1 4.42Å; I340-L431 HydrophobicContact CG2-CD1 3.75Å
341V94.2Very high88.6Confident15 Ų1546 Ų469%0.09124%0.237CC..PPolyproline II helixtrans-71.9121170176.90000107.7F343 E364 M366 F418 K427 I428V341-F343 PolarHBondContact O-N 2.95Å; V341-E364 HydrophobicContact CG1-CB 3.94Å; V341-M366 HydrophobicContact CG1-CG 4.16Å; V341-M366 HydrophobicContact CG2-CG 3.83Å; V341-M366 HydrophobicContact CG2-SD 4.12Å; V341-F418 HydrophobicContact CG2-CD2 3.79Å; V341-F418 HydrophobicContact CG2-CE2 4.42Å; V341-F418 HydrophobicContact CG2-CG 4.41Å; V341-K427 HydrophobicContact CG2-CB 3.75Å; V341-I428 PolarHBondContact N-O 3.31Å
342R93.4Very high88Confident82 Ų8251.4 Ų51.431%0.30927%0.266SS..PPolyproline II helixtrans-64.4129.7-175175.5173.4-177.4110.421.1111.2I340 Y344 T363 E364I340-R342 PolarHBondContact O-N 2.65Å; R342-Y344 VanDerWaalsContact CD-CE1 3.44Å; R342-Y344 HydrophobicContact CG-CD1 4.28Å; R342-Y344 HydrophobicContact CG-CE1 4.04Å; R342-T363 CarbonylContact O-C 3.56Å; R342-T363 VanDerWaalsContact O-CA 3.27Å; R342-T363 WeakPolarHBondContact O-CA 3.27Å; R342-T363 WeakPolarHBondContact O-CB 3.25Å; R342-E364 HydrophobicContact CB-CB 4.11Å; R342-E364 PolarHBondContact N-OE2 3.1Å; R342-E364 PolarHBondContact O-N 3.27Å
343F91.9Very high87.1Confident14 Ų1454.8 Ų54.86%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-83.2139.6163.5-154.8-103.7000109.5A329 L332 K333 V341 Y346 L361 T363A329-F343 HydrophobicContact CB-CZ 4.36Å; A329-F343 WeakPolarHBondContact O-CE1 3.32Å; L332-F343 HydrophobicContact CB-CB 4.31Å; L332-F343 HydrophobicContact CB-CD1 3.88Å; L332-F343 HydrophobicContact CB-CD2 4.22Å; L332-F343 HydrophobicContact CB-CE1 4.18Å; L332-F343 HydrophobicContact CB-CG 3.89Å; L332-F343 HydrophobicContact CB-CZ 4.49Å; L332-F343 HydrophobicContact CD1-CD2 4.46Å; L332-F343 HydrophobicContact CD1-CE2 4.29Å; L332-F343 WeakPolarHBondContact O-CB 3.38Å; K333-F343 HydrophobicContact CG-CD1 3.82Å; K333-F343 HydrophobicContact CG-CE1 4.1Å; V341-F343 PolarHBondContact O-N 2.95Å; F343-Y346 HydrophobicContact CE1-CD1 4.37Å; F343-L361 HydrophobicContact CE2-CB 3.93Å; F343-L361 HydrophobicContact CE2-CD2 3.75Å; F343-L361 HydrophobicContact CE2-CG 4.31Å; F343-L361 HydrophobicContact CZ-CB 4.05Å; F343-L361 HydrophobicContact CZ-CD2 3.92Å; F343-L361 HydrophobicContact CZ-CG 4.22Å; F343-T363 HydrophobicContact CD2-CG2 3.79Å; F343-T363 HydrophobicContact CE2-CG2 4.23Å
344Y92.8Very high86.2Confident53 Ų5355.4 Ų55.421%0.20831%0.308CS..EExtended strand (participates in β ladder)trans-109.4-55.4178.1-68.3-70.3000112.1F280 V307 R342 V362 E364F280-Y344 HydrophobicContact CE1-CG 4.46Å; F280-Y344 HydrophobicContact CZ-CG 4.48Å; V307-Y344 HydrophobicContact CG1-CD2 3.98Å; V307-Y344 HydrophobicContact CG1-CE2 3.7Å; R342-Y344 VanDerWaalsContact CD-CE1 3.44Å; R342-Y344 HydrophobicContact CG-CD1 4.28Å; R342-Y344 HydrophobicContact CG-CE1 4.04Å; Y344-V362 HydrophobicContact CD2-CG1 4.17Å; Y344-V362 PolarHBondContact N-O 3.06Å; Y344-E364 HydrophobicContact CE2-CB 4.32Å
345D91.8Very high85.5Confident32 Ų3258 Ų5817%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-162.5169.4-177.2-158.36.8000111.5F280 K333 W347 V362F280-D345 HydrophobicContact CE2-CB 3.75Å; F280-D345 HydrophobicContact CZ-CB 4.42Å; K333-D345 WeakPolarHBondContact CE-OD1 3.27Å; K333-D345 IonicContact NZ-OD1 2.68Å; K333-D345 PolarHBondContact NZ-OD1 3.08Å; D345-W347 HydrophobicContact CB-CZ3 4.32Å; D345-V362 PolarHBondContact O-N 2.98Å
346Y89.3Confident84.7Confident34 Ų3463.1 Ų63.113%0.13333%0.331CS..EExtended strand (participates in β ladder)trans-146.2157.1170.385.2-89.5000111.7F325 R326 A329 E330 F343 V360F325-Y346 AromaticContact CE1-CD2 3.9Å; F325-Y346 HydrophobicContact CE1-CD2 3.9Å; F325-Y346 HydrophobicContact CE1-CE2 4.27Å; F325-Y346 HydrophobicContact CE1-CG 4.45Å; R326-Y346 WeakPolarHBondContact CA-OH 3.45Å; R326-Y346 WeakPolarHBondContact CB-OH 3.42Å; R326-Y346 HydrophobicContact CG-CE2 3.98Å; R326-Y346 PolarHBondContact O-OH 2.96Å; R326-Y346 VanDerWaalsContact O-OH 3.13Å; A329-Y346 HydrophobicContact CB-CD1 3.35Å; A329-Y346 HydrophobicContact CB-CD2 4.18Å; A329-Y346 HydrophobicContact CB-CE1 3.6Å; A329-Y346 HydrophobicContact CB-CE2 4.41Å; A329-Y346 HydrophobicContact CB-CG 3.68Å; A329-Y346 WeakPolarHBondContact O-CD1 3.26Å; E330-Y346 HydrophobicContact CB-CE1 4.44Å; E330-Y346 VanDerWaalsContact OE2-CE1 3.27Å; E330-Y346 WeakPolarHBondContact OE2-CE1 3.46Å; F343-Y346 HydrophobicContact CE1-CD1 4.37Å; Y346-V360 CarbonylContact C-O 3.6Å; Y346-V360 WeakPolarHBondContact CA-O 3.32Å; Y346-V360 WeakPolarHBondContact CB-O 3.15Å
347W89.6Confident84Confident16 Ų1662.6 Ų62.66%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-158.9154.9167.25886.5000113K276 F280 W309 D345 S349 V360 V362K276-W347 HydrophobicContact CD-CB 4.21Å; K276-W347 HydrophobicContact CD-CG 4.3Å; K276-W347 HydrophobicContact CG-CG 4.39Å; F280-W347 HydrophobicContact CB-CH2 4.39Å; F280-W347 HydrophobicContact CD2-CH2 4.1Å; F280-W347 AromaticContact CD2-CZ3 3.96Å; F280-W347 HydrophobicContact CD2-CZ3 3.96Å; W309-W347 HydrophobicContact CE3-CH2 4.36Å; W309-W347 HydrophobicContact CE3-CZ2 4.35Å; W309-W347 HydrophobicContact CH2-CH2 4.29Å; W309-W347 AromaticContact CH2-CZ2 3.58Å; W309-W347 HydrophobicContact CH2-CZ2 3.58Å; W309-W347 HydrophobicContact CZ2-CZ2 4.01Å; W309-W347 AromaticContact CZ3-CH2 3.98Å; W309-W347 HydrophobicContact CZ3-CH2 3.98Å; W309-W347 AromaticContact CZ3-CZ2 3.74Å; W309-W347 HydrophobicContact CZ3-CZ2 3.74Å; D345-W347 HydrophobicContact CB-CZ3 4.32Å; W347-S349 VanDerWaalsContact CD1-OG 3.29Å; W347-S349 PolarHBondContact NE1-OG 3.38Å; W347-V360 HydrophobicContact CD2-CB 4.18Å; W347-V360 HydrophobicContact CH2-CB 4.38Å; W347-V360 HydrophobicContact CH2-CG1 3.8Å; W347-V360 HydrophobicContact CZ2-CB 3.73Å; W347-V360 HydrophobicContact CZ2-CG1 3.44Å; W347-V360 VanDerWaalsContact CZ2-CG1 3.44Å; W347-V360 HydrophobicContact CZ2-CG2 4.14Å; W347-V360 PolarHBondContact N-O 3.21Å; W347-V360 PolarHBondContact O-N 2.74Å; W347-V362 HydrophobicContact CH2-CG2 3.45Å; W347-V362 VanDerWaalsContact CH2-CG2 3.45Å; W347-V362 HydrophobicContact CZ3-CG2 3.66Å
348E86.1Confident83.4Confident44 Ų4462 Ų6221%0.20632%0.324CS..EExtended strand (participates in β ladder)trans-75.3128.7164.5-73.7172-119.300110.7K276 R322 R326 I359K276-E348 WeakPolarHBondContact CE-O 3.17Å; K276-E348 PolarHBondContact NZ-O 3.45Å; R322-E348 WeakPolarHBondContact CD-OE2 3.21Å; R322-E348 IonicContact CZ-OE2 2.66Å; R322-E348 IonicContact NH1-OE2 3.63Å; R322-E348 PolarHBondContact NH1-OE2 2.68Å; R326-E348 IonicContact CZ-OE1 2.81Å; R326-E348 IonicContact NH1-OE1 2.66Å; R326-E348 PolarHBondContact NH1-OE1 3.33Å; E348-I359 HydrophobicContact CG-CG1 4.29Å
349S85.2Confident83Confident23 Ų2357.6 Ų57.616%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-118.3170.7171.7-86.70000110.9W347 K357 Y358W347-S349 VanDerWaalsContact CD1-OG 3.29Å; W347-S349 PolarHBondContact NE1-OG 3.38Å; S349-K357 WeakPolarHBondContact O-CA 3.33Å; S349-Y358 VanDerWaalsContact CB-CE2 3.5Å; S349-Y358 PolarHBondContact N-O 3.42Å; S349-Y358 PolarHBondContact O-N 2.95Å; S349-Y358 VanDerWaalsContact O-O 3.06Å
350A79.2Confident82.7Confident50 Ų5057 Ų5741%0.41329%0.292SS..EExtended strand (participates in β ladder)trans-136.6146.2169.600000109.9R356 K357A350-R356 CarbonylContact C-O 3.6Å; A350-R356 WeakPolarHBondContact CA-O 3.4Å; A350-K357 HydrophobicContact CB-CG 4.2Å
351D73.5Confident82.5Confident61 Ų6157.4 Ų57.433%0.32629%0.293SS..  trans-56157178.1-62.810.8000110.2C353 G354 R356 Y358D351-C353 PolarHBondContact O-N 2.74Å; D351-G354 PolarHBondContact O-N 3.41Å; D351-R356 PolarHBondContact N-O 3.13Å; D351-R356 WeakPolarHBondContact OD2-CB 3.39Å; D351-Y358 VanDerWaalsContact OD1-CD1 3.26Å; D351-Y358 WeakPolarHBondContact OD1-CD1 3.27Å; D351-Y358 WeakPolarHBondContact OD1-CE1 3.32Å
352L66.1Low82.5Confident195 Ų19556.7 Ų56.7100%1.02129%0.289SS*.THydrogen-bonded Turntrans-53.3-19.9178.4-67.3167.5000114.6
353C65.5Low82.5Confident85 Ų8554.1 Ų54.157%0.57428%0.283SS*.THydrogen-bonded Turntrans-95.1-1.4177-161.40000113.7D351 K355D351-C353 PolarHBondContact O-N 2.74Å; C353-K355 PolarHBondContact O-N 2.81Å; C353-K355 WeakPolarHBondContact SG-CE 3.4Å
354G68.3Low82.6Confident54 Ų5455.6 Ų55.656%0.55729%0.29SS*.SBendtrans68.7-14.1-178.200000116.3D351 R356D351-G354 PolarHBondContact O-N 3.41Å; G354-R356 PolarHBondContact O-N 2.98Å
355K69.1Low82.7Confident187 Ų18754.9 Ų54.981%0.81329%0.289SS*.SBendtrans-69.8-25.8-172.2-69.3174.1-175.8170.10115.1C353C353-K355 PolarHBondContact O-N 2.81Å; C353-K355 WeakPolarHBondContact SG-CE 3.4Å
356R71.2Confident82.8Confident119 Ų11954.7 Ų54.745%0.44929%0.288SS..  trans-128.7141179164.2179.3-75170.8-4.2108.9A350 D351 G354A350-R356 CarbonylContact C-O 3.6Å; A350-R356 WeakPolarHBondContact CA-O 3.4Å; D351-R356 PolarHBondContact N-O 3.13Å; D351-R356 WeakPolarHBondContact OD2-CB 3.39Å; G354-R356 PolarHBondContact O-N 2.98Å
357K77.3Confident82.8Confident102 Ų10258.7 Ų58.744%0.44332%0.316SS..EExtended strand (participates in β ladder)trans-105154171.5-69.4175.8176.1-176.40109.8E314 S349 A350E314-K357 HydrophobicContact CB-CB 4.16Å; E314-K357 WeakPolarHBondContact CB-O 3.31Å; E314-K357 HydrophobicContact CG-CB 4.42Å; E314-K357 PolarHBondContact N-O 3.08Å; E314-K357 WeakPolarHBondContact OE1-CB 3.27Å; E314-K357 VanDerWaalsContact OE2-CB 3.23Å; E314-K357 WeakPolarHBondContact OE2-CB 3.21Å; E314-K357 VanDerWaalsContact OE2-CD 3.22Å; E314-K357 WeakPolarHBondContact OE2-CD 3.38Å; S349-K357 WeakPolarHBondContact O-CA 3.33Å; A350-K357 HydrophobicContact CB-CG 4.2Å
358Y82.9Confident82.9Confident30 Ų3060.6 Ų60.612%0.11833%0.331CS..EExtended strand (participates in β ladder)trans-146.2158.5174.259.9-82.6000109.8D273 E311 L312 S349 D351 V360D273-Y358 PolarHBondContact OD2-OH 3.35Å; E311-Y358 HydrophobicContact CB-CD2 4.2Å; E311-Y358 HydrophobicContact CG-CD2 4.04Å; E311-Y358 HydrophobicContact CG-CE2 4.14Å; E311-Y358 WeakPolarHBondContact OE1-CE2 3.49Å; L312-Y358 VanDerWaalsContact O-CA 3.25Å; L312-Y358 WeakPolarHBondContact O-CA 3.46Å; L312-Y358 VanDerWaalsContact O-CB 3.3Å; L312-Y358 WeakPolarHBondContact O-CB 3.35Å; S349-Y358 VanDerWaalsContact CB-CE2 3.5Å; S349-Y358 PolarHBondContact N-O 3.42Å; S349-Y358 PolarHBondContact O-N 2.95Å; S349-Y358 VanDerWaalsContact O-O 3.06Å; D351-Y358 VanDerWaalsContact OD1-CD1 3.26Å; D351-Y358 WeakPolarHBondContact OD1-CD1 3.27Å; D351-Y358 WeakPolarHBondContact OD1-CE1 3.32Å; Y358-V360 HydrophobicContact CD2-CG2 3.76Å; Y358-V360 HydrophobicContact CE2-CG2 3.51Å
359I84.6Confident83.1Confident0 Ų059.1 Ų59.10%033%0.328CS..EExtended strand (participates in β ladder)trans-105.8127.3175.5-56.6-178.2000107.7E311 L312 L317 F325 E348 L361E311-I359 CarbonylContact C-O 3.21Å; E311-I359 WeakPolarHBondContact CA-O 3.29Å; L312-I359 HydrophobicContact CB-CB 4.28Å; L312-I359 PolarHBondContact N-O 3.12Å; L312-I359 PolarHBondContact O-N 2.93Å; L317-I359 HydrophobicContact CD1-CD1 4.37Å; F325-I359 HydrophobicContact CD1-CD1 3.71Å; F325-I359 HydrophobicContact CD1-CG2 4.26Å; F325-I359 HydrophobicContact CE1-CD1 3.9Å; F325-I359 HydrophobicContact CE1-CG2 3.38Å; F325-I359 HydrophobicContact CG-CD1 4.31Å; F325-I359 HydrophobicContact CZ-CG2 3.7Å; E348-I359 HydrophobicContact CG-CG1 4.29Å; I359-L361 HydrophobicContact CG2-CD1 3.92Å; I359-L361 HydrophobicContact CG2-CG 4.49Å
360V90.3Very high83.5Confident0 Ų058.9 Ų58.90%033%0.326CS..EExtended strand (participates in β ladder)trans-95.9135.5170.3-172.80000109.3W309 C310 E311 Y346 W347 Y358 V362W309-V360 HydrophobicContact CD2-CG1 3.75Å; W309-V360 HydrophobicContact CE3-CG1 4.34Å; W309-V360 HydrophobicContact CG-CG1 4.1Å; W309-V360 HydrophobicContact CZ2-CG1 3.98Å; W309-V360 HydrophobicContact CZ2-CG2 4.05Å; C310-V360 CarbonylContact O-C 3.59Å; C310-V360 WeakPolarHBondContact O-CA 3.41Å; E311-V360 HydrophobicContact CG-CG2 4.46Å; Y346-V360 CarbonylContact C-O 3.6Å; Y346-V360 WeakPolarHBondContact CA-O 3.32Å; Y346-V360 WeakPolarHBondContact CB-O 3.15Å; W347-V360 HydrophobicContact CD2-CB 4.18Å; W347-V360 HydrophobicContact CH2-CB 4.38Å; W347-V360 HydrophobicContact CH2-CG1 3.8Å; W347-V360 HydrophobicContact CZ2-CB 3.73Å; W347-V360 HydrophobicContact CZ2-CG1 3.44Å; W347-V360 VanDerWaalsContact CZ2-CG1 3.44Å; W347-V360 HydrophobicContact CZ2-CG2 4.14Å; W347-V360 PolarHBondContact N-O 3.21Å; W347-V360 PolarHBondContact O-N 2.74Å; Y358-V360 HydrophobicContact CD2-CG2 3.76Å; Y358-V360 HydrophobicContact CE2-CG2 3.51Å; V360-V362 HydrophobicContact CG1-CG2 4.31Å
361L90.2Very high84.2Confident9 Ų956.5 Ų56.55%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-126.1137.6169.7-53.582.4000107.7C310 L312 F325 F343 I359C310-L361 HydrophobicContact CB-CB 4.27Å; C310-L361 WeakPolarHBondContact CB-O 3.26Å; C310-L361 PolarHBondContact N-O 3.43Å; C310-L361 PolarHBondContact O-N 3.14Å; L312-L361 HydrophobicContact CD1-CD1 3.53Å; L312-L361 HydrophobicContact CD2-CD1 4.3Å; L312-L361 HydrophobicContact CG-CD1 3.52Å; F325-L361 HydrophobicContact CE2-CD2 4.03Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å; F325-L361 HydrophobicContact CZ-CD2 3.75Å; F325-L361 HydrophobicContact CZ-CG 4.03Å; F343-L361 HydrophobicContact CE2-CB 3.93Å; F343-L361 HydrophobicContact CE2-CD2 3.75Å; F343-L361 HydrophobicContact CE2-CG 4.31Å; F343-L361 HydrophobicContact CZ-CB 4.05Å; F343-L361 HydrophobicContact CZ-CD2 3.92Å; F343-L361 HydrophobicContact CZ-CG 4.22Å; I359-L361 HydrophobicContact CG2-CD1 3.92Å; I359-L361 HydrophobicContact CG2-CG 4.49Å
362V93.9Very high85.1Confident0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-115.6126.1180-1730000110.4F280 V307 A308 Y344 D345 W347 V360F280-V362 HydrophobicContact CB-CG2 4.37Å; F280-V362 HydrophobicContact CD1-CG1 3.73Å; F280-V362 HydrophobicContact CD2-CB 4.47Å; F280-V362 HydrophobicContact CD2-CG1 4.4Å; F280-V362 HydrophobicContact CD2-CG2 4.03Å; F280-V362 HydrophobicContact CE1-CG1 3.92Å; F280-V362 HydrophobicContact CG-CB 4.48Å; F280-V362 HydrophobicContact CG-CG1 3.98Å; F280-V362 HydrophobicContact CG-CG2 4.1Å; F280-V362 HydrophobicContact CZ-CG1 4.35Å; V307-V362 HydrophobicContact CB-CG1 3.75Å; V307-V362 HydrophobicContact CG1-CG1 4.17Å; V307-V362 HydrophobicContact CG2-CG1 3.67Å; A308-V362 WeakPolarHBondContact O-CA 3.12Å; Y344-V362 HydrophobicContact CD2-CG1 4.17Å; Y344-V362 PolarHBondContact N-O 3.06Å; D345-V362 PolarHBondContact O-N 2.98Å; W347-V362 HydrophobicContact CH2-CG2 3.45Å; W347-V362 VanDerWaalsContact CH2-CG2 3.45Å; W347-V362 HydrophobicContact CZ3-CG2 3.66Å; V360-V362 HydrophobicContact CG1-CG2 4.31Å
363T94.1Very high86.4Confident28 Ų2853.5 Ų53.517%0.17229%0.285CS..EExtended strand (participates in β ladder)trans-134.5168-177.572.10000113.1V307 A308 R342 F343 L365V307-T363 WeakPolarHBondContact CA-O 3.37Å; V307-T363 WeakPolarHBondContact CB-O 3.18Å; A308-T363 PolarHBondContact N-O 3.3Å; A308-T363 PolarHBondContact O-N 2.66Å; R342-T363 CarbonylContact O-C 3.56Å; R342-T363 VanDerWaalsContact O-CA 3.27Å; R342-T363 WeakPolarHBondContact O-CA 3.27Å; R342-T363 WeakPolarHBondContact O-CB 3.25Å; F343-T363 HydrophobicContact CD2-CG2 3.79Å; F343-T363 HydrophobicContact CE2-CG2 4.23Å; T363-L365 PolarHBondContact O-N 2.71Å
364E94.2Very high87.6Confident46 Ų4652.6 Ų52.622%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-55.5131.6169.5178.5-178.7-172.700111.8V341 R342 Y344 M366 K427V341-E364 HydrophobicContact CG1-CB 3.94Å; R342-E364 HydrophobicContact CB-CB 4.11Å; R342-E364 PolarHBondContact N-OE2 3.1Å; R342-E364 PolarHBondContact O-N 3.27Å; Y344-E364 HydrophobicContact CE2-CB 4.32Å; E364-M366 HydrophobicContact CG-SD 4.02Å; E364-M366 PolarHBondContact O-N 2.88Å; E364-K427 VanDerWaalsContact CD-NZ 3.25Å; E364-K427 WeakPolarHBondContact OE1-CE 3.28Å; E364-K427 IonicContact OE1-NZ 3.79Å; E364-K427 PolarHBondContact OE1-NZ 3.12Å; E364-K427 IonicContact OE2-NZ 3.29Å; E364-K427 PolarHBondContact OE2-NZ 3.22Å
365L94.3Very high88.7Confident38 Ų3850.7 Ų50.720%0.19925%0.247CC..  trans-83.1106.1-177.1-179.957000111.7L287 R297 A306 A308 T363 T367L287-L365 HydrophobicContact CD1-CD1 3.41Å; L287-L365 VanDerWaalsContact CD1-CD1 3.41Å; R297-L365 HydrophobicContact CG-CD2 4.42Å; A306-L365 HydrophobicContact CB-CD2 3.68Å; A306-L365 VanDerWaalsContact O-CB 3.32Å; A306-L365 WeakPolarHBondContact O-CB 3.3Å; A308-L365 HydrophobicContact CB-CD1 4.21Å; T363-L365 PolarHBondContact O-N 2.71Å; L365-T367 HydrophobicContact CD2-CG2 4.17Å; L365-T367 HydrophobicContact CG-CG2 3.89Å; L365-T367 PolarHBondContact O-N 3.16Å; L365-T367 VanDerWaalsContact O-N 3.12Å
366M93.3Very high89.7Confident28 Ų2850.8 Ų50.814%0.13825%0.248CC..  trans-85.779.9-176.4-63.7-52.6-58.300113V341 E364 S368 F418 T420 K427V341-M366 HydrophobicContact CG1-CG 4.16Å; V341-M366 HydrophobicContact CG2-CG 3.83Å; V341-M366 HydrophobicContact CG2-SD 4.12Å; E364-M366 HydrophobicContact CG-SD 4.02Å; E364-M366 PolarHBondContact O-N 2.88Å; M366-S368 PolarHBondContact O-N 2.7Å; M366-F418 HydrophobicContact CB-CB 3.8Å; M366-F418 HydrophobicContact CB-CD1 3.38Å; M366-F418 HydrophobicContact CB-CE1 4.11Å; M366-F418 HydrophobicContact CB-CG 3.71Å; M366-F418 HydrophobicContact CE-CB 3.55Å; M366-F418 HydrophobicContact CG-CB 3.7Å; M366-F418 HydrophobicContact CG-CD1 3.88Å; M366-F418 HydrophobicContact CG-CD2 4.27Å; M366-F418 HydrophobicContact CG-CG 3.69Å; M366-F418 HydrophobicContact SD-CB 4.37Å; M366-T420 HydrophobicContact CE-CG2 3.78Å; M366-K427 HydrophobicContact CE-CB 4.19Å; M366-K427 HydrophobicContact CE-CD 3.8Å; M366-K427 HydrophobicContact SD-CD 3.84Å
367T90.8Very high90.5Very high117 Ų11754.6 Ų54.672%0.71826%0.262SS*.THydrogen-bonded Turntrans-71.8-17.3-172.158.50000116.4L365L365-T367 HydrophobicContact CD2-CG2 4.17Å; L365-T367 HydrophobicContact CG-CG2 3.89Å; L365-T367 PolarHBondContact O-N 3.16Å; L365-T367 VanDerWaalsContact O-N 3.12Å
368S90.6Very high90.7Very high56 Ų5654 Ų5439%0.39226%0.259SS..THydrogen-bonded Turntrans-93.56.3-177.6-44.60000113.9M366 I419 G421M366-S368 PolarHBondContact O-N 2.7Å; S368-I419 WeakPolarHBondContact CB-O 3.2Å; S368-G421 WeakPolarHBondContact OG-CA 3.33Å; S368-G421 PolarHBondContact OG-N 3.11Å
369G91.1Very high90.2Very high13 Ų1361.3 Ų61.313%0.13429%0.292CS..  trans80.3-169.1173.400000115.5F418 I419G369-F418 WeakPolarHBondContact O-CA 3.18Å; G369-I419 PolarHBondContact O-N 2.98Å
370T93.6Very high89.9Confident19 Ų1972.4 Ų72.412%0.11733%0.334CS..BIsolated β-bridgetrans-101.7159.1-171.770.60000111.7K372 M373 Y374 D415 I417 F418T370-K372 PolarHBondContact O-N 3.06Å; T370-M373 WeakPolarHBondContact O-CB 3.44Å; T370-M373 PolarHBondContact O-N 2.97Å; T370-M373 PolarHBondContact OG1-N 2.99Å; T370-Y374 PolarHBondContact O-N 2.72Å; T370-D415 WeakPolarHBondContact CB-O 3.2Å; T370-D415 WeakPolarHBondContact CG2-O 3.26Å; T370-D415 PolarHBondContact OG1-OD1 3.47Å; T370-I417 CarbonylContact C-O 3.58Å; T370-I417 WeakPolarHBondContact CA-O 3.32Å; T370-F418 HydrophobicContact CG2-CD1 3.93Å; T370-F418 HydrophobicContact CG2-CE1 3.82Å; T370-F418 HydrophobicContact CG2-CZ 4.49Å
371L93.5Very high89.6Confident0 Ų073.7 Ų73.70%034%0.34CS..Hα-helixtrans-58.9-36.9175.6174.559.3000111.9Y374 L375 I381 W389 C414 I417 M477L371-Y374 WeakPolarHBondContact O-CB 3.46Å; L371-Y374 PolarHBondContact O-N 2.8Å; L371-L375 HydrophobicContact CG-CD1 4.41Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 3.17Å; L371-I381 HydrophobicContact CD1-CD1 4.25Å; L371-W389 HydrophobicContact CD1-CE3 3.54Å; L371-W389 HydrophobicContact CD1-CZ3 3.44Å; L371-W389 VanDerWaalsContact CD1-CZ3 3.44Å; L371-C414 HydrophobicContact CB-CB 4.08Å; L371-C414 WeakPolarHBondContact CB-O 3.36Å; L371-C414 HydrophobicContact CD2-CB 4.08Å; L371-C414 VanDerWaalsContact CD2-SG 3.57Å; L371-C414 HydrophobicContact CG-CB 3.94Å; L371-C414 PolarHBondContact N-O 3.11Å; L371-C414 VanDerWaalsContact N-O 3.14Å; L371-I417 HydrophobicContact CB-CB 4.24Å; L371-I417 HydrophobicContact CB-CG2 4.22Å; L371-I417 HydrophobicContact CD2-CB 4.33Å; L371-I417 HydrophobicContact CD2-CD1 4.26Å; L371-I417 HydrophobicContact CD2-CG2 4.09Å; L371-I417 PolarHBondContact N-O 3.12Å; L371-M477 HydrophobicContact CD1-CG 3.91Å; L371-M477 HydrophobicContact CD1-SD 3.82Å; L371-M477 HydrophobicContact CD2-CE 4.15Å; L371-M477 HydrophobicContact CD2-CG 3.82Å; L371-M477 HydrophobicContact CD2-SD 3.55Å; L371-M477 VanDerWaalsContact CD2-SD 3.55Å; L371-M477 HydrophobicContact CG-CG 4.12Å; L371-M477 HydrophobicContact CG-SD 4.21Å
372K92.6Very high89.4Confident80 Ų8078 Ų7835%0.34836%0.363SS..Hα-helixtrans-61.5-43.2171.2-174.1-171.1-171.1175.80112.1T370 Y374 L375 K376 C414 D415T370-K372 PolarHBondContact O-N 3.06Å; K372-Y374 VanDerWaalsContact C-N 3.32Å; K372-L375 PolarHBondContact O-N 2.78Å; K372-K376 WeakPolarHBondContact O-CB 3.31Å; K372-K376 PolarHBondContact O-N 3.25Å; K372-C414 HydrophobicContact CB-CB 3.98Å; K372-C414 PolarHBondContact N-O 3.26Å; K372-D415 HydrophobicContact CD-CB 3.9Å; K372-D415 WeakPolarHBondContact CD-OD1 3.42Å; K372-D415 WeakPolarHBondContact CD-OD2 3.46Å; K372-D415 WeakPolarHBondContact CE-OD2 3.26Å; K372-D415 IonicContact NZ-OD2 3.8Å; K372-D415 PolarHBondContact NZ-OD2 3.1Å
373M92.2Very high89Confident113 Ų11379.8 Ų79.856%0.55737%0.372SS*.Hα-helixtrans-68.2-33.1175.7-164175.683.500112.1T370 R377T370-M373 WeakPolarHBondContact O-CB 3.44Å; T370-M373 PolarHBondContact O-N 2.97Å; T370-M373 PolarHBondContact OG1-N 2.99Å; M373-R377 PolarHBondContact O-N 3.25Å
374Y92.1Very high88.6Confident66 Ų6682.9 Ų82.926%0.25938%0.383SS..Hα-helixtrans-64.9-49.7171.6-174.4-81.6000111.4T370 L371 K372 K376 R377 F378 I381 W389 I419T370-Y374 PolarHBondContact O-N 2.72Å; L371-Y374 WeakPolarHBondContact O-CB 3.46Å; L371-Y374 PolarHBondContact O-N 2.8Å; K372-Y374 VanDerWaalsContact C-N 3.32Å; Y374-K376 VanDerWaalsContact C-N 3.34Å; Y374-K376 PolarHBondContact O-N 3.11Å; Y374-R377 CarbonylContact O-C 3.6Å; Y374-R377 WeakPolarHBondContact O-CA 3.29Å; Y374-R377 PolarHBondContact O-N 2.91Å; Y374-F378 HydrophobicContact CD1-CB 4.13Å; Y374-F378 AromaticContact CD1-CD2 3.98Å; Y374-F378 HydrophobicContact CD1-CD2 3.98Å; Y374-F378 AromaticContact CD2-CD2 3.52Å; Y374-F378 HydrophobicContact CD2-CD2 3.52Å; Y374-F378 AromaticContact CD2-CE2 3.8Å; Y374-F378 HydrophobicContact CD2-CE2 3.8Å; Y374-F378 HydrophobicContact CE1-CB 3.71Å; Y374-F378 AromaticContact CE1-CD2 3.84Å; Y374-F378 HydrophobicContact CE1-CD2 3.84Å; Y374-F378 HydrophobicContact CE1-CG 4.09Å; Y374-F378 AromaticContact CE2-CD2 3.38Å; Y374-F378 HydrophobicContact CE2-CD2 3.38Å; Y374-F378 AromaticContact CE2-CE2 3.62Å; Y374-F378 HydrophobicContact CE2-CE2 3.62Å; Y374-F378 HydrophobicContact CE2-CG 4.21Å; Y374-F378 AromaticContact CG-CD2 3.82Å; Y374-F378 HydrophobicContact CG-CD2 3.82Å; Y374-F378 HydrophobicContact CG-CE2 4.5Å; Y374-F378 AromaticContact CZ-CD2 3.55Å; Y374-F378 AromaticContact CZ-CG 3.93Å; Y374-F378 WeakPolarHBondContact O-CD2 3.34Å; Y374-F378 PolarHBondContact O-N 3.23Å; Y374-I381 HydrophobicContact CD1-CG1 4.46Å; Y374-I381 HydrophobicContact CE1-CG1 4.13Å; Y374-W389 AromaticContact CD1-CH2 3.74Å; Y374-W389 HydrophobicContact CD1-CH2 3.74Å; Y374-W389 AromaticContact CD1-CZ3 3.86Å; Y374-W389 HydrophobicContact CD1-CZ3 3.86Å; Y374-W389 AromaticContact CD2-CH2 3.86Å; Y374-W389 HydrophobicContact CD2-CH2 3.86Å; Y374-W389 AromaticContact CE1-CH2 3.71Å; Y374-W389 HydrophobicContact CE1-CH2 3.71Å; Y374-W389 AromaticContact CE1-CZ3 4Å; Y374-W389 HydrophobicContact CE1-CZ3 4Å; Y374-W389 AromaticContact CE2-CH2 3.82Å; Y374-W389 HydrophobicContact CE2-CH2 3.82Å; Y374-W389 AromaticContact CG-CH2 3.83Å; Y374-W389 HydrophobicContact CG-CH2 3.83Å; Y374-W389 HydrophobicContact CG-CZ3 4.24Å; Y374-W389 AromaticContact CZ-CH2 3.75Å; Y374-I419 VanDerWaalsContact CB-CD1 3.44Å; Y374-I419 HydrophobicContact CD2-CD1 3.83Å; Y374-I419 HydrophobicContact CG-CD1 3.77Å
375L91.1Very high88.3Confident13 Ų1383 Ų837%0.06839%0.387CS..Hα-helixtrans-58.2-43.6177.6-77.2164.5000112.4L371 K372 R377 F378 I381 E476 M477L371-L375 HydrophobicContact CG-CD1 4.41Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 3.17Å; K372-L375 PolarHBondContact O-N 2.78Å; L375-R377 PolarHBondContact O-N 2.95Å; L375-F378 CarbonylContact O-C 3.45Å; L375-F378 PolarHBondContact O-N 2.86Å; L375-I381 HydrophobicContact CD2-CD1 3.67Å; L375-I381 HydrophobicContact CD2-CG1 3.94Å; L375-I381 HydrophobicContact CG-CD1 4.28Å; L375-E476 HydrophobicContact CD1-CG 4.03Å; L375-M477 HydrophobicContact CD1-CG 4.19Å
376K89.9Confident88.2Confident190 Ų19081.5 Ų81.583%0.82638%0.38SS*.Hα-helixtrans-59.1-28.6174.3-173.4175.5179.3-179.60113.3K372 Y374K372-K376 WeakPolarHBondContact O-CB 3.31Å; K372-K376 PolarHBondContact O-N 3.25Å; Y374-K376 VanDerWaalsContact C-N 3.34Å; Y374-K376 PolarHBondContact O-N 3.11Å
377R87.1Confident88Confident198 Ų19881.2 Ų81.275%0.74738%0.378SS*.Hα-helixtrans-93.3-33.3179.5-175173.5-179.2168.23.4113.4M373 Y374 L375M373-R377 PolarHBondContact O-N 3.25Å; Y374-R377 CarbonylContact O-C 3.6Å; Y374-R377 WeakPolarHBondContact O-CA 3.29Å; Y374-R377 PolarHBondContact O-N 2.91Å; L375-R377 PolarHBondContact O-N 2.95Å
378F81.6Confident88Confident89 Ų8977.5 Ų77.539%0.3936%0.356SS..  trans-129.289-172.8-57.5-75000109.2Y374 L375 R380Y374-F378 HydrophobicContact CD1-CB 4.13Å; Y374-F378 AromaticContact CD1-CD2 3.98Å; Y374-F378 HydrophobicContact CD1-CD2 3.98Å; Y374-F378 AromaticContact CD2-CD2 3.52Å; Y374-F378 HydrophobicContact CD2-CD2 3.52Å; Y374-F378 AromaticContact CD2-CE2 3.8Å; Y374-F378 HydrophobicContact CD2-CE2 3.8Å; Y374-F378 HydrophobicContact CE1-CB 3.71Å; Y374-F378 AromaticContact CE1-CD2 3.84Å; Y374-F378 HydrophobicContact CE1-CD2 3.84Å; Y374-F378 HydrophobicContact CE1-CG 4.09Å; Y374-F378 AromaticContact CE2-CD2 3.38Å; Y374-F378 HydrophobicContact CE2-CD2 3.38Å; Y374-F378 AromaticContact CE2-CE2 3.62Å; Y374-F378 HydrophobicContact CE2-CE2 3.62Å; Y374-F378 HydrophobicContact CE2-CG 4.21Å; Y374-F378 AromaticContact CG-CD2 3.82Å; Y374-F378 HydrophobicContact CG-CD2 3.82Å; Y374-F378 HydrophobicContact CG-CE2 4.5Å; Y374-F378 AromaticContact CZ-CD2 3.55Å; Y374-F378 AromaticContact CZ-CG 3.93Å; Y374-F378 WeakPolarHBondContact O-CD2 3.34Å; Y374-F378 PolarHBondContact O-N 3.23Å; L375-F378 CarbonylContact O-C 3.45Å; L375-F378 PolarHBondContact O-N 2.86Å; F378-R380 PolarHBondContact O-N 3.47Å
379K73.6Confident88.2Confident184 Ų18475.1 Ų75.180%0.834%0.339SS*.SBendtrans-59.5-6-171.4-60-172.3178-174.20116.4
380R77.6Confident88.4Confident234 Ų23474.5 Ų74.588%0.88333%0.332SS*.SBendtrans-144.4128.1177-68.7-174.1175.6175.6-1.7109.1F378F378-R380 PolarHBondContact O-N 3.47Å
381I85.2Confident88.4Confident26 Ų2675.8 Ų75.813%0.13334%0.335CS..  trans-91.4138.9173.1-56.6-176.1000109L371 Y374 L375 V385 L386 W389 M477L371-I381 HydrophobicContact CD1-CD1 4.25Å; Y374-I381 HydrophobicContact CD1-CG1 4.46Å; Y374-I381 HydrophobicContact CE1-CG1 4.13Å; L375-I381 HydrophobicContact CD2-CD1 3.67Å; L375-I381 HydrophobicContact CD2-CG1 3.94Å; L375-I381 HydrophobicContact CG-CD1 4.28Å; I381-V385 HydrophobicContact CG2-CB 4Å; I381-V385 HydrophobicContact CG2-CG1 4.02Å; I381-L386 HydrophobicContact CG2-CB 4.04Å; I381-W389 HydrophobicContact CD1-CE3 4.17Å; I381-W389 HydrophobicContact CD1-CZ3 3.85Å; I381-W389 HydrophobicContact CG2-CZ3 4.49Å; I381-M477 HydrophobicContact CD1-CB 4Å; I381-M477 HydrophobicContact CD1-CG 3.83Å; I381-M477 HydrophobicContact CD1-SD 4.22Å
382N85Confident88.5Confident99 Ų9976.9 Ų76.953%0.52934%0.34SS..  trans-67.8132.2171.2179.8-48.6000109.9K384 V385 L386N382-K384 PolarHBondContact O-N 3.15Å; N382-K384 PolarHBondContact OD1-N 2.81Å; N382-V385 HydrophobicContact CB-CB 4.45Å; N382-V385 HydrophobicContact CB-CG2 4.13Å; N382-V385 WeakPolarHBondContact O-CA 3.46Å; N382-V385 WeakPolarHBondContact O-CB 3.4Å; N382-V385 PolarHBondContact O-N 3.47Å; N382-L386 PolarHBondContact O-N 2.87Å
383I86.5Confident88.7Confident38 Ų3873.2 Ų73.220%0.19532%0.324CS..Hα-helixtrans-49.6-36-178.4-173.456.6000114.4L386 K387 Y513 I516 F542I383-L386 HydrophobicContact CD1-CD2 4.03Å; I383-L386 PolarHBondContact O-N 2.69Å; I383-K387 HydrophobicContact CD1-CG 4.45Å; I383-K387 WeakPolarHBondContact O-CB 3.47Å; I383-K387 WeakPolarHBondContact O-CG 3.16Å; I383-K387 PolarHBondContact O-N 2.89Å; I383-Y513 HydrophobicContact CD1-CD1 4.46Å; I383-Y513 HydrophobicContact CD1-CE1 4.3Å; I383-Y513 HydrophobicContact CG1-CE1 4.11Å; I383-I516 HydrophobicContact CD1-CD1 3.82Å; I383-F542 HydrophobicContact CD1-CE2 3.84Å; I383-F542 HydrophobicContact CD1-CZ 3.72Å
384K84.9Confident89Confident93 Ų9367.8 Ų67.840%0.40430%0.298SS..Hα-helixtrans-69.5-36.4176.2-66.9-163.5169.3-122.10112.7N382 S388 E546 D547N382-K384 PolarHBondContact O-N 3.15Å; N382-K384 PolarHBondContact OD1-N 2.81Å; K384-S388 WeakPolarHBondContact O-CB 3.36Å; K384-S388 PolarHBondContact O-N 3.45Å; K384-S388 VanDerWaalsContact O-N 3.1Å; K384-E546 WeakPolarHBondContact CE-OE2 3.37Å; K384-E546 IonicContact NZ-OE2 3.14Å; K384-E546 PolarHBondContact NZ-OE2 2.88Å; K384-D547 IonicContact NZ-OD1 3.65Å
385V88.5Confident89.2Confident49 Ų4969.7 Ų69.730%0.29731%0.307SS..Hα-helixtrans-69.3-44.61741790000109.9I381 N382 S388 W389I381-V385 HydrophobicContact CG2-CB 4Å; I381-V385 HydrophobicContact CG2-CG1 4.02Å; N382-V385 HydrophobicContact CB-CB 4.45Å; N382-V385 HydrophobicContact CB-CG2 4.13Å; N382-V385 WeakPolarHBondContact O-CA 3.46Å; N382-V385 WeakPolarHBondContact O-CB 3.4Å; N382-V385 PolarHBondContact O-N 3.47Å; V385-S388 WeakPolarHBondContact O-CB 3.15Å; V385-S388 PolarHBondContact O-N 2.89Å; V385-S388 VanDerWaalsContact O-N 3.13Å; V385-W389 HydrophobicContact CG1-CD2 3.71Å; V385-W389 HydrophobicContact CG1-CE3 4.1Å; V385-W389 HydrophobicContact CG1-CG 4.28Å; V385-W389 HydrophobicContact CG1-CH2 3.99Å; V385-W389 HydrophobicContact CG1-CZ2 3.57Å; V385-W389 HydrophobicContact CG1-CZ3 4.23Å; V385-W389 PolarHBondContact O-N 3.2Å
386L91.1Very high89.4Confident7 Ų769 Ų694%0.03730%0.304CS..Hα-helixtrans-54.9-55.9175.2-17870.4000111.6I381 N382 I383 S388 W389 C390 L474 M477 V478 I516I381-L386 HydrophobicContact CG2-CB 4.04Å; N382-L386 PolarHBondContact O-N 2.87Å; I383-L386 HydrophobicContact CD1-CD2 4.03Å; I383-L386 PolarHBondContact O-N 2.69Å; L386-S388 PolarHBondContact O-N 3.48Å; L386-W389 PolarHBondContact O-N 2.91Å; L386-C390 WeakPolarHBondContact O-CB 3.46Å; L386-C390 PolarHBondContact O-N 3.06Å; L386-C390 PolarHBondContact O-SG 2.91Å; L386-L474 HydrophobicContact CD1-CD1 4.1Å; L386-L474 HydrophobicContact CD2-CD1 4.29Å; L386-L474 HydrophobicContact CG-CD1 4.35Å; L386-M477 HydrophobicContact CD1-CB 3.53Å; L386-M477 HydrophobicContact CD1-CE 4.14Å; L386-M477 HydrophobicContact CD1-CG 4.23Å; L386-M477 HydrophobicContact CD1-SD 3.74Å; L386-V478 HydrophobicContact CD1-CG2 4.36Å; L386-V478 HydrophobicContact CD2-CG2 3.61Å; L386-I516 HydrophobicContact CD2-CD1 3.96Å
387K90.2Very high89.8Confident22 Ų2260 Ų6010%0.09627%0.265CS..Hα-helixtrans-54.4-40.4175.7-76.1-178.5172.5-170.10112.1I383 R391 F542 E546I383-K387 HydrophobicContact CD1-CG 4.45Å; I383-K387 WeakPolarHBondContact O-CB 3.47Å; I383-K387 WeakPolarHBondContact O-CG 3.16Å; I383-K387 PolarHBondContact O-N 2.89Å; K387-R391 WeakPolarHBondContact O-CB 3.13Å; K387-R391 PolarHBondContact O-N 3.39Å; K387-R391 VanDerWaalsContact O-N 3.16Å; K387-F542 HydrophobicContact CD-CD2 4.47Å; K387-F542 HydrophobicContact CD-CE2 4.24Å; K387-F542 HydrophobicContact CD-CZ 4.3Å; K387-F542 VanDerWaalsContact CD-O 3.26Å; K387-F542 WeakPolarHBondContact CD-O 3.37Å; K387-F542 VanDerWaalsContact CE-O 3.26Å; K387-F542 WeakPolarHBondContact CE-O 3.1Å; K387-F542 HydrophobicContact CG-CD1 4.23Å; K387-F542 HydrophobicContact CG-CD2 4.48Å; K387-F542 HydrophobicContact CG-CE1 3.72Å; K387-F542 HydrophobicContact CG-CE2 4.03Å; K387-F542 HydrophobicContact CG-CZ 3.58Å; K387-F542 WeakPolarHBondContact CG-O 3.35Å; K387-E546 IonicContact NZ-OE1 3.52Å; K387-E546 PolarHBondContact NZ-OE1 2.94Å
388S90.4Very high90.2Very high39 Ų3951.9 Ų51.927%0.27324%0.238SC..Hα-helixtrans-67.6-44.5178.7-166.50000113K384 V385 L386 Q392K384-S388 WeakPolarHBondContact O-CB 3.36Å; K384-S388 PolarHBondContact O-N 3.45Å; K384-S388 VanDerWaalsContact O-N 3.1Å; V385-S388 WeakPolarHBondContact O-CB 3.15Å; V385-S388 PolarHBondContact O-N 2.89Å; V385-S388 VanDerWaalsContact O-N 3.13Å; L386-S388 PolarHBondContact O-N 3.48Å; S388-Q392 WeakPolarHBondContact O-CB 3.39Å; S388-Q392 WeakPolarHBondContact O-CG 3.2Å; S388-Q392 PolarHBondContact O-N 3.08Å; S388-Q392 VanDerWaalsContact O-N 3.15Å; S388-Q392 PolarHBondContact O-NE2 3.25Å; S388-Q392 PolarHBondContact OG-NE2 2.94Å
389W94.3Very high90.8Very high6 Ų649 Ų492%0.02323%0.225CC..Hα-helixtrans-69.3-44.1179.5-70.2-5.9000111.9L371 Y374 I381 V385 L386 R391 Q392 I393 I419 G424 V426 M477L371-W389 HydrophobicContact CD1-CE3 3.54Å; L371-W389 HydrophobicContact CD1-CZ3 3.44Å; L371-W389 VanDerWaalsContact CD1-CZ3 3.44Å; Y374-W389 AromaticContact CD1-CH2 3.74Å; Y374-W389 HydrophobicContact CD1-CH2 3.74Å; Y374-W389 AromaticContact CD1-CZ3 3.86Å; Y374-W389 HydrophobicContact CD1-CZ3 3.86Å; Y374-W389 AromaticContact CD2-CH2 3.86Å; Y374-W389 HydrophobicContact CD2-CH2 3.86Å; Y374-W389 AromaticContact CE1-CH2 3.71Å; Y374-W389 HydrophobicContact CE1-CH2 3.71Å; Y374-W389 AromaticContact CE1-CZ3 4Å; Y374-W389 HydrophobicContact CE1-CZ3 4Å; Y374-W389 AromaticContact CE2-CH2 3.82Å; Y374-W389 HydrophobicContact CE2-CH2 3.82Å; Y374-W389 AromaticContact CG-CH2 3.83Å; Y374-W389 HydrophobicContact CG-CH2 3.83Å; Y374-W389 HydrophobicContact CG-CZ3 4.24Å; Y374-W389 AromaticContact CZ-CH2 3.75Å; I381-W389 HydrophobicContact CD1-CE3 4.17Å; I381-W389 HydrophobicContact CD1-CZ3 3.85Å; I381-W389 HydrophobicContact CG2-CZ3 4.49Å; V385-W389 HydrophobicContact CG1-CD2 3.71Å; V385-W389 HydrophobicContact CG1-CE3 4.1Å; V385-W389 HydrophobicContact CG1-CG 4.28Å; V385-W389 HydrophobicContact CG1-CH2 3.99Å; V385-W389 HydrophobicContact CG1-CZ2 3.57Å; V385-W389 HydrophobicContact CG1-CZ3 4.23Å; V385-W389 PolarHBondContact O-N 3.2Å; L386-W389 PolarHBondContact O-N 2.91Å; W389-R391 PolarHBondContact O-N 3.29Å; W389-Q392 WeakPolarHBondContact O-CB 3.37Å; W389-Q392 PolarHBondContact O-N 3.46Å; W389-Q392 VanDerWaalsContact O-N 3.07Å; W389-I393 WeakPolarHBondContact O-CD1 3.43Å; W389-I393 WeakPolarHBondContact O-CG1 3.19Å; W389-I393 PolarHBondContact O-N 2.96Å; W389-I419 HydrophobicContact CH2-CD1 3.6Å; W389-I419 HydrophobicContact CH2-CG1 4.22Å; W389-I419 HydrophobicContact CZ2-CD1 4.03Å; W389-I419 HydrophobicContact CZ2-CG1 4.19Å; W389-I419 HydrophobicContact CZ2-CG2 4.4Å; W389-I419 HydrophobicContact CZ3-CD1 4.08Å; W389-G424 VanDerWaalsContact CD1-O 3.3Å; W389-G424 PolarHBondContact NE1-O 3.23Å; W389-V426 HydrophobicContact CB-CG1 4.25Å; W389-V426 HydrophobicContact CB-CG2 4.13Å; W389-V426 HydrophobicContact CD2-CG1 3.95Å; W389-V426 HydrophobicContact CG-CG1 3.74Å; W389-V426 HydrophobicContact CG-CG2 4.32Å; W389-M477 HydrophobicContact CE3-SD 4.34Å
390C95.7Very high91.7Very high0 Ų040.2 Ų40.20%019%0.187CC..Hα-helixtrans-61.1-47.6178-62.90000111.9L386 Q392 I393 L394 F470 M477 F543L386-C390 WeakPolarHBondContact O-CB 3.46Å; L386-C390 PolarHBondContact O-N 3.06Å; L386-C390 PolarHBondContact O-SG 2.91Å; C390-Q392 PolarHBondContact O-N 3.46Å; C390-I393 PolarHBondContact O-N 3.47Å; C390-L394 WeakPolarHBondContact O-CB 3.18Å; C390-L394 WeakPolarHBondContact O-CG 3.28Å; C390-L394 PolarHBondContact O-N 3.12Å; C390-F470 HydrophobicContact CB-CE2 4.01Å; C390-F470 HydrophobicContact CB-CZ 4.03Å; C390-M477 WeakPolarHBondContact SG-CE 3.24Å; C390-F543 HydrophobicContact CB-CD1 3.92Å; C390-F543 HydrophobicContact CB-CE1 3.24Å; C390-F543 HydrophobicContact CB-CZ 3.99Å
391R93.8Very high92.4Very high45 Ų4529.9 Ų29.917%0.1715%0.149CC..Hα-helixtrans-58.1-32173.2172.3170.850.9-121.4-0.4113.1K387 W389 K395 F543 T544K387-R391 WeakPolarHBondContact O-CB 3.13Å; K387-R391 PolarHBondContact O-N 3.39Å; K387-R391 VanDerWaalsContact O-N 3.16Å; W389-R391 PolarHBondContact O-N 3.29Å; R391-K395 VanDerWaalsContact O-CG 3.29Å; R391-K395 WeakPolarHBondContact O-CG 3.44Å; R391-K395 PolarHBondContact O-N 3.19Å; R391-K395 VanDerWaalsContact O-N 3.12Å; R391-F543 WeakPolarHBondContact CD-O 3.41Å; R391-F543 PolarHBondContact NH1-O 2.82Å; R391-T544 PolarHBondContact NH1-O 3.38Å
392Q95.2Very high92.7Very high24 Ų2431.5 Ų31.511%0.11216%0.16CC..Hα-helixtrans-76.5-39.9176.3-78.7175.374.500112.7N339 S388 W389 C390 K395 G396 V426N339-Q392 VanDerWaalsContact CB-O 3.29Å; N339-Q392 WeakPolarHBondContact CB-O 3.28Å; N339-Q392 WeakPolarHBondContact ND2-CB 3.42Å; N339-Q392 WeakPolarHBondContact ND2-CG 3.5Å; N339-Q392 PolarHBondContact ND2-OE1 2.74Å; S388-Q392 WeakPolarHBondContact O-CB 3.39Å; S388-Q392 WeakPolarHBondContact O-CG 3.2Å; S388-Q392 PolarHBondContact O-N 3.08Å; S388-Q392 VanDerWaalsContact O-N 3.15Å; S388-Q392 PolarHBondContact O-NE2 3.25Å; S388-Q392 PolarHBondContact OG-NE2 2.94Å; W389-Q392 WeakPolarHBondContact O-CB 3.37Å; W389-Q392 PolarHBondContact O-N 3.46Å; W389-Q392 VanDerWaalsContact O-N 3.07Å; C390-Q392 PolarHBondContact O-N 3.46Å; Q392-K395 PolarHBondContact O-N 3.15Å; Q392-G396 PolarHBondContact O-N 3.28Å; Q392-V426 HydrophobicContact CB-CG2 3.52Å; Q392-V426 HydrophobicContact CG-CG2 4.49Å
393I97.3Very high92.8Very high2 Ų230.8 Ų30.81%0.0115%0.15CC..Hα-helixtrans-62.1-48.4172.8-63.2154.6000109.5W389 C390 K395 G396 L397 L412 I417 V426 I428 F470 M477W389-I393 WeakPolarHBondContact O-CD1 3.43Å; W389-I393 WeakPolarHBondContact O-CG1 3.19Å; W389-I393 PolarHBondContact O-N 2.96Å; C390-I393 PolarHBondContact O-N 3.47Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.31Å; I393-G396 CarbonylContact O-C 3.58Å; I393-G396 WeakPolarHBondContact O-CA 3.37Å; I393-G396 PolarHBondContact O-N 3.13Å; I393-L397 HydrophobicContact CG2-CD1 4.4Å; I393-L397 HydrophobicContact CG2-CG 4.49Å; I393-L397 PolarHBondContact O-N 3.11Å; I393-L412 HydrophobicContact CG2-CD2 4.49Å; I393-I417 HydrophobicContact CD1-CD1 3.9Å; I393-I417 HydrophobicContact CD1-CG2 4.19Å; I393-I417 HydrophobicContact CG1-CD1 4.2Å; I393-I417 HydrophobicContact CG1-CG2 4.14Å; I393-I417 HydrophobicContact CG2-CD1 4.43Å; I393-V426 HydrophobicContact CG1-CG2 4.07Å; I393-I428 HydrophobicContact CG2-CD1 4.05Å; I393-F470 HydrophobicContact CB-CD2 4.33Å; I393-F470 HydrophobicContact CB-CE2 4.39Å; I393-F470 HydrophobicContact CG2-CD2 3.81Å; I393-F470 HydrophobicContact CG2-CE2 4.36Å; I393-M477 HydrophobicContact CD1-CE 4.24Å
394L97.4Very high92.4Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-59.6-36.7176.3-70.2169.7000112.8C390 S398 F470 V534 L537 L538 F543C390-L394 WeakPolarHBondContact O-CB 3.18Å; C390-L394 WeakPolarHBondContact O-CG 3.28Å; C390-L394 PolarHBondContact O-N 3.12Å; L394-S398 WeakPolarHBondContact O-CB 3.34Å; L394-S398 PolarHBondContact O-N 2.76Å; L394-F470 HydrophobicContact CD1-CE1 4.19Å; L394-F470 HydrophobicContact CD1-CE2 4.23Å; L394-F470 HydrophobicContact CD1-CZ 3.7Å; L394-F470 HydrophobicContact CD2-CD1 3.96Å; L394-F470 HydrophobicContact CD2-CD2 4.14Å; L394-F470 HydrophobicContact CD2-CE1 3.8Å; L394-F470 HydrophobicContact CD2-CE2 3.99Å; L394-F470 HydrophobicContact CD2-CG 4.13Å; L394-F470 HydrophobicContact CD2-CZ 3.82Å; L394-F470 HydrophobicContact CG-CD2 4.28Å; L394-F470 HydrophobicContact CG-CE1 4.15Å; L394-F470 HydrophobicContact CG-CE2 3.72Å; L394-F470 HydrophobicContact CG-CZ 3.65Å; L394-V534 HydrophobicContact CB-CG1 4.32Å; L394-V534 HydrophobicContact CD2-CG1 4.04Å; L394-V534 VanDerWaalsContact O-CG1 3.23Å; L394-V534 WeakPolarHBondContact O-CG1 3.32Å; L394-L537 HydrophobicContact CD1-CB 3.87Å; L394-L537 HydrophobicContact CD2-CB 3.83Å; L394-L537 HydrophobicContact CD2-CD1 3.82Å; L394-L537 HydrophobicContact CD2-CG 4.49Å; L394-L538 HydrophobicContact CB-CD2 3.58Å; L394-L538 HydrophobicContact CB-CG 3.92Å; L394-F543 HydrophobicContact CD1-CD2 3.94Å; L394-F543 HydrophobicContact CD1-CE2 3.95Å; L394-F543 HydrophobicContact CD1-CG 4.22Å; L394-F543 HydrophobicContact CD1-CZ 4.31Å
395K96.4Very high92.3Very high105 Ų10535.8 Ų35.846%0.45719%0.186SC..Hα-helixtrans-66.1-39.8170.9-78.8179.6177.5-167.70112.5H337 R391 Q392 I393 F399 L538H337-K395 PolarHBondContact CE1-O 2.91Å; R391-K395 VanDerWaalsContact O-CG 3.29Å; R391-K395 WeakPolarHBondContact O-CG 3.44Å; R391-K395 PolarHBondContact O-N 3.19Å; R391-K395 VanDerWaalsContact O-N 3.12Å; Q392-K395 PolarHBondContact O-N 3.15Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.31Å; K395-F399 WeakPolarHBondContact O-CB 3.42Å; K395-F399 PolarHBondContact O-N 2.94Å; K395-L538 HydrophobicContact CG-CD2 3.99Å
396G96.5Very high92.2Very high0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-58.6-52172.700000112.1Q392 I393 F399 L400Q392-G396 PolarHBondContact O-N 3.28Å; I393-G396 CarbonylContact O-C 3.58Å; I393-G396 WeakPolarHBondContact O-CA 3.37Å; I393-G396 PolarHBondContact O-N 3.13Å; G396-F399 WeakPolarHBondContact O-CB 3.38Å; G396-F399 PolarHBondContact O-N 2.97Å; G396-L400 WeakPolarHBondContact O-CG 3.39Å; G396-L400 PolarHBondContact O-N 2.71Å; G396-L400 VanDerWaalsContact O-N 3.12Å
397L96.5Very high91.8Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-60.9-47176.6-64.6-179.2000111.9I393 F399 L400 H401 H409 L412 I428 D466 F470 V534I393-L397 HydrophobicContact CG2-CD1 4.4Å; I393-L397 HydrophobicContact CG2-CG 4.49Å; I393-L397 PolarHBondContact O-N 3.11Å; L397-F399 VanDerWaalsContact C-N 3.26Å; L397-F399 PolarHBondContact O-N 2.87Å; L397-L400 PolarHBondContact O-N 3.3Å; L397-H401 WeakPolarHBondContact O-CB 3.41Å; L397-H401 VanDerWaalsContact O-CG 3.26Å; L397-H401 PolarHBondContact O-N 2.77Å; L397-H409 HydrophobicContact CD2-CB 4.46Å; L397-L412 HydrophobicContact CD1-CD2 3.91Å; L397-L412 HydrophobicContact CD2-CD2 4.14Å; L397-L412 HydrophobicContact CG-CD2 4.49Å; L397-I428 HydrophobicContact CD2-CD1 3.97Å; L397-I428 HydrophobicContact CG-CD1 4.11Å; L397-D466 HydrophobicContact CD1-CB 4.14Å; L397-D466 HydrophobicContact CD2-CB 3.93Å; L397-F470 HydrophobicContact CD1-CB 4.23Å; L397-V534 HydrophobicContact CB-CG1 4.2Å; L397-V534 HydrophobicContact CB-CG2 4.2Å
398S95.9Very high91.6Very high28 Ų2837.4 Ų37.420%0.19620%0.198CC..Hα-helixtrans-57.8-37.9176.9-174.20000112.5L394 T402L394-S398 WeakPolarHBondContact O-CB 3.34Å; L394-S398 PolarHBondContact O-N 2.76Å; S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.48Å; S398-T402 WeakPolarHBondContact O-CG2 3.23Å; S398-T402 PolarHBondContact O-N 2.8Å; S398-T402 VanDerWaalsContact O-N 3.1Å; S398-T402 PolarHBondContact O-OG1 2.87Å
399F95.5Very high91.5Very high27 Ų2735.6 Ų35.612%0.11819%0.185CC..Hα-helixtrans-63.4-44.4172.2170.6-95.1000112.2L335 H337 I340 K395 G396 L397 T402 R403L335-F399 HydrophobicContact CB-CE1 4.13Å; L335-F399 HydrophobicContact CD2-CE1 3.97Å; L335-F399 HydrophobicContact CD2-CZ 4.27Å; H337-F399 HydrophobicContact CB-CB 4.33Å; H337-F399 HydrophobicContact CB-CD1 3.58Å; H337-F399 HydrophobicContact CB-CD2 3.85Å; H337-F399 HydrophobicContact CB-CE1 3.74Å; H337-F399 HydrophobicContact CB-CE2 3.99Å; H337-F399 HydrophobicContact CB-CG 3.64Å; H337-F399 HydrophobicContact CB-CZ 3.94Å; H337-F399 AromaticContact CD2-CD2 3.83Å; H337-F399 AromaticContact CD2-CG 3.81Å; H337-F399 AromaticContact CG-CG 3.67Å; I340-F399 HydrophobicContact CG1-CD1 4.03Å; I340-F399 HydrophobicContact CG1-CE1 4.43Å; K395-F399 WeakPolarHBondContact O-CB 3.42Å; K395-F399 PolarHBondContact O-N 2.94Å; G396-F399 WeakPolarHBondContact O-CB 3.38Å; G396-F399 PolarHBondContact O-N 2.97Å; L397-F399 VanDerWaalsContact C-N 3.26Å; L397-F399 PolarHBondContact O-N 2.87Å; F399-T402 PolarHBondContact O-N 2.57Å; F399-T402 PolarHBondContact O-OG1 3.13Å; F399-R403 PolarHBondContact O-NE 2.92Å; F399-R403 PolarHBondContact O-NH2 3.37Å
400L92.6Very high90.9Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-67.7-47.5179.7-62.8171.8000112.3L335 I340 G396 L397 T402 R403 V407 L431L335-L400 HydrophobicContact CD1-CD2 3.77Å; I340-L400 HydrophobicContact CD1-CD1 3.79Å; I340-L400 HydrophobicContact CD1-CD2 4.08Å; I340-L400 HydrophobicContact CD1-CG 3.89Å; I340-L400 HydrophobicContact CG1-CD2 4.46Å; G396-L400 WeakPolarHBondContact O-CG 3.39Å; G396-L400 PolarHBondContact O-N 2.71Å; G396-L400 VanDerWaalsContact O-N 3.12Å; L397-L400 PolarHBondContact O-N 3.3Å; L400-T402 PolarHBondContact O-N 3.37Å; L400-R403 WeakPolarHBondContact O-CB 3.46Å; L400-R403 WeakPolarHBondContact O-CG 3.19Å; L400-R403 PolarHBondContact O-N 3.47Å; L400-R403 VanDerWaalsContact O-N 3.11Å; L400-V407 CarbonylContact C-O 3.51Å; L400-V407 HydrophobicContact CB-CB 4.13Å; L400-V407 HydrophobicContact CB-CG1 4.42Å; L400-V407 VanDerWaalsContact CB-O 3.29Å; L400-V407 WeakPolarHBondContact CB-O 3.48Å; L400-V407 HydrophobicContact CD2-CB 4.28Å; L400-V407 HydrophobicContact CD2-CG1 4.03Å; L400-V407 PolarHBondContact O-N 3.39Å; L400-L431 HydrophobicContact CD1-CD2 3.84Å; L400-L431 HydrophobicContact CD2-CD1 3.98Å; L400-L431 HydrophobicContact CD2-CD2 4.29Å
401H91.5Very high90.4Very high17 Ų1738.7 Ų38.78%0.07920%0.199CC..Hα-helixtrans-66-21.3178-58.6162.5000112.9L397 V407 E463 D466L397-H401 WeakPolarHBondContact O-CB 3.41Å; L397-H401 VanDerWaalsContact O-CG 3.26Å; L397-H401 PolarHBondContact O-N 2.77Å; H401-V407 PolarHBondContact CD2-O 2.73Å; H401-E463 HydrophobicContact CB-CG 4.04Å; H401-E463 PolarHBondContact CE1-O 3.44Å; H401-D466 IonicContact CD2-OD2 3.72Å; H401-D466 IonicContact CE1-OD2 3.02Å; H401-D466 IonicContact NE2-OD2 2.95Å; H401-D466 PolarHBondContact NE2-OD2 3.2Å
402T90.5Very high90.3Very high60 Ų6036.7 Ų36.737%0.36819%0.191SC..THydrogen-bonded Turntrans-96.218173.659.20000114.2S398 F399 L400S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.48Å; S398-T402 WeakPolarHBondContact O-CG2 3.23Å; S398-T402 PolarHBondContact O-N 2.8Å; S398-T402 VanDerWaalsContact O-N 3.1Å; S398-T402 PolarHBondContact O-OG1 2.87Å; F399-T402 PolarHBondContact O-N 2.57Å; F399-T402 PolarHBondContact O-OG1 3.13Å; L400-T402 PolarHBondContact O-N 3.37Å
403R87.8Confident90.2Very high84 Ų8437 Ų3732%0.31719%0.192SC..SBendtrans-78167.1166.2-63.2-5086.3-159.3-6.5110.7L335 F399 L400 P405 P406 V407L335-R403 HydrophobicContact CD2-CG 3.77Å; F399-R403 PolarHBondContact O-NE 2.92Å; F399-R403 PolarHBondContact O-NH2 3.37Å; L400-R403 WeakPolarHBondContact O-CB 3.46Å; L400-R403 WeakPolarHBondContact O-CG 3.19Å; L400-R403 PolarHBondContact O-N 3.47Å; L400-R403 VanDerWaalsContact O-N 3.11Å; R403-P405 CarbonylContact C-O 3.59Å; R403-P405 WeakPolarHBondContact CB-O 3.35Å; R403-P405 CarbonylContact O-C 3.57Å; R403-P406 WeakPolarHBondContact O-CA 3.46Å; R403-P406 VanDerWaalsContact O-N 3.14Å; R403-V407 HydrophobicContact CB-CG2 4.02Å; R403-V407 HydrophobicContact CG-CG2 3.99Å
404N78.6Confident90Very high160 Ų16036.9 Ų36.986%0.85619%0.192SC*.SBendtrans-127.2103.4173.7-66.598.4000108.6
405P82.9Confident89.8Confident77 Ų7739.7 Ų39.750%0.521%0.207SC..SBendcis-66.8159.6-3.831-36.8000113.2M331 R403M331-P405 HydrophobicContact SD-CG 3.97Å; R403-P405 CarbonylContact C-O 3.59Å; R403-P405 WeakPolarHBondContact CB-O 3.35Å; R403-P405 CarbonylContact O-C 3.57Å
406P85.3Confident89.6Confident63 Ų6335.1 Ų35.141%0.40919%0.187SC..PPolyproline II helixtrans-57.7137.8173.3-26.936.4000112.4R403R403-P406 WeakPolarHBondContact O-CA 3.46Å; R403-P406 VanDerWaalsContact O-N 3.14Å
407V84.3Confident89.6Confident25 Ų2535.1 Ų35.115%0.15219%0.187CC..PPolyproline II helixtrans-101.3116.9176.9177.30000108.9L400 H401 R403L400-V407 CarbonylContact C-O 3.51Å; L400-V407 HydrophobicContact CB-CB 4.13Å; L400-V407 HydrophobicContact CB-CG1 4.42Å; L400-V407 VanDerWaalsContact CB-O 3.29Å; L400-V407 WeakPolarHBondContact CB-O 3.48Å; L400-V407 HydrophobicContact CD2-CB 4.28Å; L400-V407 HydrophobicContact CD2-CG1 4.03Å; L400-V407 PolarHBondContact O-N 3.39Å; H401-V407 PolarHBondContact CD2-O 2.73Å; R403-V407 HydrophobicContact CB-CG2 4.02Å; R403-V407 HydrophobicContact CG-CG2 3.99Å
408I85.9Confident89.5Confident24 Ų2437 Ų3712%0.12320%0.195CC..PPolyproline II helixtrans-100.3133.1176.8-54162.8000108.4R410 Y461 E463 V465I408-R410 HydrophobicContact CB-CG 4.24Å; I408-R410 HydrophobicContact CG2-CG 3.81Å; I408-Y461 HydrophobicContact CD1-CD2 4.31Å; I408-E463 HydrophobicContact CG1-CG 4.3Å; I408-V465 HydrophobicContact CG2-CG2 3.62Å
409H87.4Confident89.4Confident1 Ų136.1 Ų36.11%0.00519%0.189CC..  trans-78.9-37.4-173.2-172.6-69.4000113.6L397 D411 L412 I428 G429 L431 A434 D466L397-H409 HydrophobicContact CD2-CB 4.46Å; H409-D411 VanDerWaalsContact CE1-C 3.47Å; H409-D411 PolarHBondContact CE1-O 3.12Å; H409-D411 VanDerWaalsContact CE1-O 3.27Å; H409-D411 VanDerWaalsContact ND1-C 3.28Å; H409-D411 PolarHBondContact ND1-N 2.85Å; H409-D411 PolarHBondContact O-N 3.42Å; H409-L412 WeakPolarHBondContact ND1-CA 3.34Å; H409-L412 PolarHBondContact ND1-N 3.03Å; H409-I428 WeakPolarHBondContact CD2-CG2 3.16Å; H409-I428 WeakPolarHBondContact NE2-CG2 3.2Å; H409-G429 PolarHBondContact NE2-O 3.34Å; H409-L431 HydrophobicContact CB-CD2 4.44Å; H409-L431 VanDerWaalsContact CD2-CD2 3.4Å; H409-L431 WeakPolarHBondContact CD2-CD2 3.45Å; H409-A434 WeakPolarHBondContact O-CB 3.33Å; H409-D466 WeakPolarHBondContact CA-OD1 3.36Å; H409-D466 WeakPolarHBondContact CB-OD1 3.45Å; H409-D466 PolarHBondContact N-OD1 2.81Å; H409-D466 PolarHBondContact N-OD2 2.84Å
410R82.9Confident89.2Confident47 Ų4736.1 Ų36.118%0.17719%0.191CC..SBendtrans64.1-24.1170.9-46.7168-162.1-172.71.1117.1I408 A434 N438 M456 Y461 D466I408-R410 HydrophobicContact CB-CG 4.24Å; I408-R410 HydrophobicContact CG2-CG 3.81Å; R410-A434 HydrophobicContact CB-CB 4.49Å; R410-A434 WeakPolarHBondContact CD-O 3.36Å; R410-N438 PolarHBondContact NH1-ND2 3.2Å; R410-M456 HydrophobicContact CB-SD 4.22Å; R410-M456 VanDerWaalsContact O-CE 3.27Å; R410-M456 WeakPolarHBondContact O-CE 3.43Å; R410-Y461 WeakPolarHBondContact CD-OH 3.48Å; R410-Y461 HydrophobicContact CG-CD2 4.42Å; R410-Y461 HydrophobicContact CG-CE2 3.89Å; R410-Y461 PolarHBondContact NH1-OH 3.2Å; R410-D466 PolarHBondContact N-OD1 2.81Å
411D83.8Confident88.3Confident23 Ų2338.2 Ų38.212%0.12321%0.212CC..SBendtrans-128.741.6177.5-161.524000111.7H409 K413 N416 K437H409-D411 VanDerWaalsContact CE1-C 3.47Å; H409-D411 PolarHBondContact CE1-O 3.12Å; H409-D411 VanDerWaalsContact CE1-O 3.27Å; H409-D411 VanDerWaalsContact ND1-C 3.28Å; H409-D411 PolarHBondContact ND1-N 2.85Å; H409-D411 PolarHBondContact O-N 3.42Å; D411-K413 IonicContact OD1-NZ 3.41Å; D411-K413 PolarHBondContact OD1-NZ 3.22Å; D411-K413 IonicContact OD2-NZ 2.65Å; D411-K413 PolarHBondContact OD2-NZ 3.41Å; D411-N416 PolarHBondContact O-ND2 2.98Å; D411-K437 IonicContact OD1-NZ 3.59Å; D411-K437 IonicContact OD2-NZ 3.46Å; D411-K437 PolarHBondContact OD2-NZ 3.46Å
412L92.2Very high86.6Confident3 Ų342.3 Ų42.32%0.01624%0.239CC..  trans-74.8128179.9-173.974.8000109.4I393 L397 H409 I417 I428 A469 F470I393-L412 HydrophobicContact CG2-CD2 4.49Å; L397-L412 HydrophobicContact CD1-CD2 3.91Å; L397-L412 HydrophobicContact CD2-CD2 4.14Å; L397-L412 HydrophobicContact CG-CD2 4.49Å; H409-L412 WeakPolarHBondContact ND1-CA 3.34Å; H409-L412 PolarHBondContact ND1-N 3.03Å; L412-I417 HydrophobicContact CD1-CD1 4.13Å; L412-I417 HydrophobicContact CD1-CG1 4.09Å; L412-I417 HydrophobicContact CG-CD1 4.49Å; L412-I428 HydrophobicContact CD1-CD1 4.31Å; L412-I428 HydrophobicContact CD1-CG2 3.69Å; L412-A469 HydrophobicContact CB-CB 3.84Å; L412-A469 HydrophobicContact CD2-CB 4.27Å; L412-A469 HydrophobicContact CG-CB 4.46Å; L412-F470 HydrophobicContact CD2-CB 4.16Å
413K92.5Very high85.1Confident30 Ų3044.2 Ų44.213%0.1325%0.251CS..SBendtrans-164.6164.8179.657.4-161.9172.1-1520110.2D411 D415 N416 I417 T448 F451 C473D411-K413 IonicContact OD1-NZ 3.41Å; D411-K413 PolarHBondContact OD1-NZ 3.22Å; D411-K413 IonicContact OD2-NZ 2.65Å; D411-K413 PolarHBondContact OD2-NZ 3.41Å; K413-D415 HydrophobicContact CG-CB 4.2Å; K413-D415 PolarHBondContact O-N 3.19Å; K413-N416 WeakPolarHBondContact CE-OD1 3.29Å; K413-N416 HydrophobicContact CG-CB 4.24Å; K413-N416 PolarHBondContact O-N 2.82Å; K413-I417 WeakPolarHBondContact O-CG1 3.46Å; K413-I417 PolarHBondContact O-N 2.76Å; K413-T448 HydrophobicContact CD-CG2 4.35Å; K413-T448 PolarHBondContact NZ-OG1 2.82Å; K413-F451 HydrophobicContact CB-CD1 3.9Å; K413-F451 HydrophobicContact CB-CE1 4.1Å; K413-F451 HydrophobicContact CB-CG 4.16Å; K413-C473 VanDerWaalsContact C-SG 3.53Å; K413-C473 WeakPolarHBondContact CA-SG 3.42Å
414C94.5Very high84.5Confident1 Ų141.7 Ų41.71%0.00725%0.25CS..THydrogen-bonded Turntrans-63.4-13.9-179.7-650000114.2L371 K372 C473 E476L371-C414 HydrophobicContact CB-CB 4.08Å; L371-C414 WeakPolarHBondContact CB-O 3.36Å; L371-C414 HydrophobicContact CD2-CB 4.08Å; L371-C414 VanDerWaalsContact CD2-SG 3.57Å; L371-C414 HydrophobicContact CG-CB 3.94Å; L371-C414 PolarHBondContact N-O 3.11Å; L371-C414 VanDerWaalsContact N-O 3.14Å; K372-C414 HydrophobicContact CB-CB 3.98Å; K372-C414 PolarHBondContact N-O 3.26Å; C414-C473 PolarHBondContact N-SG 3.49Å; C414-E476 WeakPolarHBondContact CB-OE2 3.44Å; C414-E476 PolarHBondContact SG-OE2 2.88Å
415D91.5Very high85.2Confident58 Ų5835.7 Ų35.731%0.3122%0.221SC..THydrogen-bonded Turntrans-78.9-29.1170.1-122.5-10.1000113.2T370 K372 K413T370-D415 WeakPolarHBondContact CB-O 3.2Å; T370-D415 WeakPolarHBondContact CG2-O 3.26Å; T370-D415 PolarHBondContact OG1-OD1 3.47Å; K372-D415 HydrophobicContact CD-CB 3.9Å; K372-D415 WeakPolarHBondContact CD-OD1 3.42Å; K372-D415 WeakPolarHBondContact CD-OD2 3.46Å; K372-D415 WeakPolarHBondContact CE-OD2 3.26Å; K372-D415 IonicContact NZ-OD2 3.8Å; K372-D415 PolarHBondContact NZ-OD2 3.1Å; K413-D415 HydrophobicContact CG-CB 4.2Å; K413-D415 PolarHBondContact O-N 3.19Å
416N93.4Very high85.8Confident9 Ų932.1 Ų32.15%0.04820%0.198CC..THydrogen-bonded Turntrans-95.60.3-177.6-65.27.4000112D411 K413 G429 D430D411-N416 PolarHBondContact O-ND2 2.98Å; K413-N416 WeakPolarHBondContact CE-OD1 3.29Å; K413-N416 HydrophobicContact CG-CB 4.24Å; K413-N416 PolarHBondContact O-N 2.82Å; N416-G429 PolarHBondContact O-N 2.74Å; N416-D430 HydrophobicContact CB-CB 4.49Å
417I95.6Very high86.4Confident0 Ų030.3 Ų30.30%018%0.184CC..EExtended strand (participates in β ladder)trans-102.9108.6173.9-62.1162.8000108T370 L371 I393 L412 K413 V426 C473T370-I417 CarbonylContact C-O 3.58Å; T370-I417 WeakPolarHBondContact CA-O 3.32Å; L371-I417 HydrophobicContact CB-CB 4.24Å; L371-I417 HydrophobicContact CB-CG2 4.22Å; L371-I417 HydrophobicContact CD2-CB 4.33Å; L371-I417 HydrophobicContact CD2-CD1 4.26Å; L371-I417 HydrophobicContact CD2-CG2 4.09Å; L371-I417 PolarHBondContact N-O 3.12Å; I393-I417 HydrophobicContact CD1-CD1 3.9Å; I393-I417 HydrophobicContact CD1-CG2 4.19Å; I393-I417 HydrophobicContact CG1-CD1 4.2Å; I393-I417 HydrophobicContact CG1-CG2 4.14Å; I393-I417 HydrophobicContact CG2-CD1 4.43Å; L412-I417 HydrophobicContact CD1-CD1 4.13Å; L412-I417 HydrophobicContact CD1-CG1 4.09Å; L412-I417 HydrophobicContact CG-CD1 4.49Å; K413-I417 WeakPolarHBondContact O-CG1 3.46Å; K413-I417 PolarHBondContact O-N 2.76Å; I417-V426 HydrophobicContact CG2-CB 4.07Å; I417-V426 HydrophobicContact CG2-CG1 4.33Å; I417-C473 HydrophobicContact CD1-CB 4.45Å
418F95.4Very high86.9Confident39 Ų3929.2 Ų29.217%0.17118%0.177CC..EExtended strand (participates in β ladder)trans-93.1143-177.3-62.9-91.7000111.4V341 M366 G369 T370 V426 K427V341-F418 HydrophobicContact CG2-CD2 3.79Å; V341-F418 HydrophobicContact CG2-CE2 4.42Å; V341-F418 HydrophobicContact CG2-CG 4.41Å; M366-F418 HydrophobicContact CB-CB 3.8Å; M366-F418 HydrophobicContact CB-CD1 3.38Å; M366-F418 HydrophobicContact CB-CE1 4.11Å; M366-F418 HydrophobicContact CB-CG 3.71Å; M366-F418 HydrophobicContact CE-CB 3.55Å; M366-F418 HydrophobicContact CG-CB 3.7Å; M366-F418 HydrophobicContact CG-CD1 3.88Å; M366-F418 HydrophobicContact CG-CD2 4.27Å; M366-F418 HydrophobicContact CG-CG 3.69Å; M366-F418 HydrophobicContact SD-CB 4.37Å; G369-F418 WeakPolarHBondContact O-CA 3.18Å; T370-F418 HydrophobicContact CG2-CD1 3.93Å; T370-F418 HydrophobicContact CG2-CE1 3.82Å; T370-F418 HydrophobicContact CG2-CZ 4.49Å; F418-V426 CarbonylContact O-C 3.54Å; F418-V426 VanDerWaalsContact O-CA 3.26Å; F418-V426 WeakPolarHBondContact O-CA 3.34Å; F418-K427 PolarHBondContact N-O 3.33Å; F418-K427 PolarHBondContact O-N 3.45Å
419I94Very high87.2Confident11 Ų1128.1 Ų28.16%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-95.8142.6175.3-67.3158.1000109.3S368 G369 Y374 W389 V426S368-I419 WeakPolarHBondContact CB-O 3.2Å; G369-I419 PolarHBondContact O-N 2.98Å; Y374-I419 VanDerWaalsContact CB-CD1 3.44Å; Y374-I419 HydrophobicContact CD2-CD1 3.83Å; Y374-I419 HydrophobicContact CG-CD1 3.77Å; W389-I419 HydrophobicContact CH2-CD1 3.6Å; W389-I419 HydrophobicContact CH2-CG1 4.22Å; W389-I419 HydrophobicContact CZ2-CD1 4.03Å; W389-I419 HydrophobicContact CZ2-CG1 4.19Å; W389-I419 HydrophobicContact CZ2-CG2 4.4Å; W389-I419 HydrophobicContact CZ3-CD1 4.08Å; I419-V426 HydrophobicContact CG1-CG1 3.81Å
420T90Very high87Confident26 Ų2630.2 Ų30.216%0.1618%0.183CC..EExtended strand (participates in β ladder)trans-98.6116.1165.156.50000108.9M366 T423 G424 S425 K427M366-T420 HydrophobicContact CE-CG2 3.78Å; T420-T423 PolarHBondContact OG1-OG1 3.26Å; T420-T423 VanDerWaalsContact OG1-OG1 3.06Å; T420-G424 PolarHBondContact O-N 3.41Å; T420-S425 PolarHBondContact N-O 3.01Å; T420-S425 WeakPolarHBondContact OG1-CA 3.35Å; T420-S425 WeakPolarHBondContact OG1-CB 3.32Å; T420-S425 PolarHBondContact OG1-N 3.47Å; T420-S425 PolarHBondContact OG1-O 2.98Å; T420-S425 PolarHBondContact OG1-OG 3.26Å; T420-K427 HydrophobicContact CG2-CD 3.92Å
421G73.5Confident86.7Confident44 Ų4428.9 Ų28.945%0.45418%0.179SC..G310 helixtrans-52.5-74.3-165.500000116.3S368 T423 G424S368-G421 WeakPolarHBondContact OG-CA 3.33Å; S368-G421 PolarHBondContact OG-N 3.11Å; G421-T423 PolarHBondContact O-N 3.34Å; G421-T423 VanDerWaalsContact O-N 3.11Å; G421-G424 PolarHBondContact O-N 2.98Å
422T55.8Low85.4Confident103 Ų10328.1 Ų28.163%0.63218%0.177SC*.G310 helixtrans-70.8-8.5-165.852.10000115.8
423T59Low83.8Confident101 Ų10129.7 Ų29.762%0.6219%0.185SC*.G310 helixtrans-110.5-12.4-179.952.60000113.5T420 G421 S425T420-T423 PolarHBondContact OG1-OG1 3.26Å; T420-T423 VanDerWaalsContact OG1-OG1 3.06Å; G421-T423 PolarHBondContact O-N 3.34Å; G421-T423 VanDerWaalsContact O-N 3.11Å; T423-S425 PolarHBondContact O-N 3.47Å; T423-S425 PolarHBondContact OG1-OG 2.88Å
424G77Confident81.9Confident30 Ų3028.4 Ų28.431%0.30918%0.181SC..THydrogen-bonded Turntrans61.825.1-17600000113.9W389 T420 G421W389-G424 VanDerWaalsContact CD1-O 3.3Å; W389-G424 PolarHBondContact NE1-O 3.23Å; T420-G424 PolarHBondContact O-N 3.41Å; G421-G424 PolarHBondContact O-N 2.98Å
425S92Very high79.6Confident35 Ų3529.5 Ų29.525%0.24519%0.187CC..EExtended strand (participates in β ladder)trans-89.2162.9170.336.80000112.5T420 T423T420-S425 PolarHBondContact N-O 3.01Å; T420-S425 WeakPolarHBondContact OG1-CA 3.35Å; T420-S425 WeakPolarHBondContact OG1-CB 3.32Å; T420-S425 PolarHBondContact OG1-N 3.47Å; T420-S425 PolarHBondContact OG1-O 2.98Å; T420-S425 PolarHBondContact OG1-OG 3.26Å; T423-S425 PolarHBondContact O-N 3.47Å; T423-S425 PolarHBondContact OG1-OG 2.88Å
426V96.1Very high77.5Confident2 Ų228.3 Ų28.31%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-126.8149.2178.9-710000112.2N339 W389 Q392 I393 I417 F418 I419N339-V426 WeakPolarHBondContact CA-O 3.41Å; N339-V426 WeakPolarHBondContact CB-O 3.47Å; N339-V426 PolarHBondContact ND2-O 3.16Å; W389-V426 HydrophobicContact CB-CG1 4.25Å; W389-V426 HydrophobicContact CB-CG2 4.13Å; W389-V426 HydrophobicContact CD2-CG1 3.95Å; W389-V426 HydrophobicContact CG-CG1 3.74Å; W389-V426 HydrophobicContact CG-CG2 4.32Å; Q392-V426 HydrophobicContact CB-CG2 3.52Å; Q392-V426 HydrophobicContact CG-CG2 4.49Å; I393-V426 HydrophobicContact CG1-CG2 4.07Å; I417-V426 HydrophobicContact CG2-CB 4.07Å; I417-V426 HydrophobicContact CG2-CG1 4.33Å; F418-V426 CarbonylContact O-C 3.54Å; F418-V426 VanDerWaalsContact O-CA 3.26Å; F418-V426 WeakPolarHBondContact O-CA 3.34Å; I419-V426 HydrophobicContact CG1-CG1 3.81Å
427K96.7Very high75.6Confident25 Ų2531.3 Ų31.311%0.10919%0.193CC..EExtended strand (participates in β ladder)trans-133.2130.1-178.4-79.9168.8164.7-89.80110.7P338 N339 I340 V341 E364 M366 F418 T420P338-K427 VanDerWaalsContact O-CE 3.31Å; P338-K427 WeakPolarHBondContact O-CE 3.36Å; P338-K427 VanDerWaalsContact O-CG 3.28Å; P338-K427 WeakPolarHBondContact O-CG 3.22Å; N339-K427 WeakPolarHBondContact O-CA 3.44Å; I340-K427 PolarHBondContact O-NZ 3.34Å; V341-K427 HydrophobicContact CG2-CB 3.75Å; E364-K427 VanDerWaalsContact CD-NZ 3.25Å; E364-K427 WeakPolarHBondContact OE1-CE 3.28Å; E364-K427 IonicContact OE1-NZ 3.79Å; E364-K427 PolarHBondContact OE1-NZ 3.12Å; E364-K427 IonicContact OE2-NZ 3.29Å; E364-K427 PolarHBondContact OE2-NZ 3.22Å; M366-K427 HydrophobicContact CE-CB 4.19Å; M366-K427 HydrophobicContact CE-CD 3.8Å; M366-K427 HydrophobicContact SD-CD 3.84Å; F418-K427 PolarHBondContact N-O 3.33Å; F418-K427 PolarHBondContact O-N 3.45Å; T420-K427 HydrophobicContact CG2-CD 3.92Å
428I95.9Very high73.4Confident1 Ų134.1 Ų34.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-83.2130.2174.4-48.4175.5000109.1N339 I340 V341 I393 L397 H409 L412N339-I428 PolarHBondContact O-N 3.14Å; I340-I428 CarbonylContact C-O 3.56Å; I340-I428 WeakPolarHBondContact CA-O 3.27Å; I340-I428 HydrophobicContact CD1-CB 3.98Å; I340-I428 HydrophobicContact CD1-CD1 4.28Å; I340-I428 HydrophobicContact CD1-CG1 4.42Å; V341-I428 PolarHBondContact N-O 3.31Å; I393-I428 HydrophobicContact CG2-CD1 4.05Å; L397-I428 HydrophobicContact CD2-CD1 3.97Å; L397-I428 HydrophobicContact CG-CD1 4.11Å; H409-I428 WeakPolarHBondContact CD2-CG2 3.16Å; H409-I428 WeakPolarHBondContact NE2-CG2 3.2Å; L412-I428 HydrophobicContact CD1-CD1 4.31Å; L412-I428 HydrophobicContact CD1-CG2 3.69Å
429G91.9Very high71.1Confident2 Ų238.6 Ų38.62%0.02123%0.227CC..  trans-128.8-167.7-178.500000113.7H409 N416 L431H409-G429 PolarHBondContact NE2-O 3.34Å; N416-G429 PolarHBondContact O-N 2.74Å; G429-L431 PolarHBondContact O-N 2.71Å; G429-L431 VanDerWaalsContact O-N 3.15Å
430D83.8Confident68.3Low45 Ų4541.6 Ų41.624%0.24125%0.249CC..  trans61.511.6-178.1-86-5.1000117.2K293 N416 G432 L433K293-D430 IonicContact NZ-OD1 3.99Å; K293-D430 PolarHBondContact NZ-OD1 3.47Å; K293-D430 IonicContact NZ-OD2 3.47Å; K293-D430 PolarHBondContact NZ-OD2 2.87Å; N416-D430 HydrophobicContact CB-CB 4.49Å; D430-G432 PolarHBondContact O-N 3.47Å; D430-L433 PolarHBondContact O-N 3.39Å
431L76.5Confident65.4Low18 Ų1847.3 Ų47.39%0.09427%0.272CS..G310 helixtrans-46.4-39.2175.2-69.7171.3000114.4L332 L335 I340 L400 H409 G429 L433 A434L332-L431 HydrophobicContact CD1-CB 4.35Å; L332-L431 HydrophobicContact CD2-CB 3.84Å; L332-L431 HydrophobicContact CD2-CD1 4.25Å; L335-L431 HydrophobicContact CD1-CD1 4.04Å; I340-L431 HydrophobicContact CG2-CD1 3.75Å; L400-L431 HydrophobicContact CD1-CD2 3.84Å; L400-L431 HydrophobicContact CD2-CD1 3.98Å; L400-L431 HydrophobicContact CD2-CD2 4.29Å; H409-L431 HydrophobicContact CB-CD2 4.44Å; H409-L431 VanDerWaalsContact CD2-CD2 3.4Å; H409-L431 WeakPolarHBondContact CD2-CD2 3.45Å; G429-L431 PolarHBondContact O-N 2.71Å; G429-L431 VanDerWaalsContact O-N 3.15Å; L431-L433 PolarHBondContact O-N 3.29Å; L431-L433 VanDerWaalsContact O-N 3.09Å; L431-A434 VanDerWaalsContact O-CB 3.24Å; L431-A434 WeakPolarHBondContact O-CB 3.46Å; L431-A434 PolarHBondContact O-N 2.79Å
432G56.7Low63.4Low8 Ų850 Ų508%0.08229%0.29CS..G310 helixtrans-65.2-817900000115.7L332 D430L332-G432 VanDerWaalsContact CD1-CA 3.49Å; D430-G432 PolarHBondContact O-N 3.47Å
433L57.5Low62.5Low35 Ų3550.1 Ų50.118%0.18328%0.282CS..G310 helixtrans-104-8.3172.4-66.2-179.9000113.4K293 L312 D430 L431 T435 L436K293-L433 HydrophobicContact CD-CD1 3.91Å; K293-L433 HydrophobicContact CG-CD1 4.31Å; L312-L433 HydrophobicContact CD1-CD2 3.78Å; L312-L433 HydrophobicContact CD2-CD2 3.8Å; L312-L433 HydrophobicContact CG-CD2 4.48Å; D430-L433 PolarHBondContact O-N 3.39Å; L431-L433 PolarHBondContact O-N 3.29Å; L431-L433 VanDerWaalsContact O-N 3.09Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 3.01Å; L433-L436 HydrophobicContact CD2-CD1 4.06Å
434A52.3Low61.4Low4 Ų448.8 Ų48.83%0.03328%0.277CS..THydrogen-bonded Turntrans-63.7-41179.800000111.6H409 R410 L431H409-A434 WeakPolarHBondContact O-CB 3.33Å; R410-A434 HydrophobicContact CB-CB 4.49Å; R410-A434 WeakPolarHBondContact CD-O 3.36Å; L431-A434 VanDerWaalsContact O-CB 3.24Å; L431-A434 WeakPolarHBondContact O-CB 3.46Å; L431-A434 PolarHBondContact O-N 2.79Å
435T47.1Very low59.4Low23 Ų2352.2 Ų52.214%0.14129%0.292CS..SBendtrans-88-34.2-170.1640000114E328 L433 K437 N438E328-T435 HydrophobicContact CB-CG2 4.3Å; E328-T435 VanDerWaalsContact CD-OG1 3.23Å; E328-T435 HydrophobicContact CG-CG2 4.04Å; E328-T435 VanDerWaalsContact OE1-CB 3.31Å; E328-T435 WeakPolarHBondContact OE1-CB 3.47Å; E328-T435 WeakPolarHBondContact OE2-CB 3.38Å; E328-T435 PolarHBondContact OE2-OG1 3.04Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 3.01Å; T435-K437 PolarHBondContact O-N 3.44Å; T435-N438 PolarHBondContact O-N 3.09Å
436L48.4Very low57.4Low33 Ų3354 Ų5417%0.17330%0.298CS..THydrogen-bonded Turntrans-58.4-10.4174.7-77.5170.6000115.1L312 L317 F325 L433 N438L312-L436 HydrophobicContact CD1-CD1 3.51Å; L317-L436 HydrophobicContact CD1-CD2 3.99Å; L317-L436 HydrophobicContact CD2-CD2 3.79Å; F325-L436 HydrophobicContact CB-CD2 3.77Å; F325-L436 HydrophobicContact CD2-CD1 3.62Å; F325-L436 HydrophobicContact CD2-CD2 3.67Å; F325-L436 HydrophobicContact CD2-CG 3.57Å; F325-L436 HydrophobicContact CE2-CD1 3.83Å; F325-L436 HydrophobicContact CE2-CG 4.26Å; F325-L436 HydrophobicContact CG-CD2 3.92Å; F325-L436 HydrophobicContact CG-CG 4.34Å; L433-L436 HydrophobicContact CD2-CD1 4.06Å; L436-N438 VanDerWaalsContact C-N 3.33Å
437K51.8Low55.3Low73 Ų7355 Ų5532%0.31731%0.308SS..THydrogen-bonded Turntrans-80.6-8.8-179.3-70.1-179.2-176.1-179.80114.4D411 T435 K439 I446D411-K437 IonicContact OD1-NZ 3.59Å; D411-K437 IonicContact OD2-NZ 3.46Å; D411-K437 PolarHBondContact OD2-NZ 3.46Å; T435-K437 PolarHBondContact O-N 3.44Å; K437-K439 PolarHBondContact O-N 2.79Å; K437-K439 VanDerWaalsContact O-N 3.14Å; K437-I446 HydrophobicContact CB-CG2 4.49Å; K437-I446 HydrophobicContact CD-CG2 4.23Å; K437-I446 HydrophobicContact CG-CG2 4.3Å
438N50Low53.2Low59 Ų5955.2 Ų55.232%0.31631%0.311SS..SBendtrans-82.894.5-173.3-73.89.8000113.2R410 T435 L436 Y461R410-N438 PolarHBondContact NH1-ND2 3.2Å; T435-N438 PolarHBondContact O-N 3.09Å; L436-N438 VanDerWaalsContact C-N 3.33Å; N438-Y461 VanDerWaalsContact CG-OH 3.31Å; N438-Y461 PolarHBondContact ND2-OH 2.82Å; N438-Y461 PolarHBondContact OD1-OH 3.3Å
439K46.9Very low51.4Low132 Ų13255.6 Ų55.657%0.57431%0.314SS*.SBendtrans77.685.6159.6-58.7173.1175.1-75.80119.4K437 E459K437-K439 PolarHBondContact O-N 2.79Å; K437-K439 VanDerWaalsContact O-N 3.14Å; K439-E459 VanDerWaalsContact CE-OE1 3.22Å; K439-E459 WeakPolarHBondContact CE-OE1 3.47Å; K439-E459 WeakPolarHBondContact CE-OE2 3.29Å; K439-E459 VanDerWaalsContact CG-OE1 3.25Å; K439-E459 WeakPolarHBondContact CG-OE1 3.43Å; K439-E459 IonicContact NZ-OE1 3.74Å; K439-E459 PolarHBondContact NZ-OE1 2.9Å; K439-E459 IonicContact NZ-OE2 3.54Å; K439-E459 PolarHBondContact NZ-OE2 2.76Å
440S35.4Very low50.1Low74 Ų7456.9 Ų56.952%0.51732%0.319SS..SBendtrans-155.8-21.2153.543.30000119E321E321-S440 WeakPolarHBondContact OE1-CB 3.23Å; E321-S440 PolarHBondContact OE1-OG 3.36Å
441F28.3Very low49.2Very low147 Ų14755.1 Ų55.165%0.64531%0.309SS*.  trans-148.374.7177.1-108.5-80000114.5K443F441-K443 VanDerWaalsContact C-N 3.34Å; F441-K443 PolarHBondContact O-N 3.33Å
442A31.7Very low48.9Very low99 Ų9955 Ų5582%0.81831%0.309SS*.THydrogen-bonded Turntrans-74.578.4176.100000112.2
443K38Very low49.1Very low106 Ų10654.7 Ų54.746%0.46131%0.305SS..THydrogen-bonded Turntrans-154.7-32.3175.1-153.7172.3-173.7175.30114.3F441 V1411 A1414F441-K443 VanDerWaalsContact C-N 3.34Å; F441-K443 PolarHBondContact O-N 3.33Å; K443-V1411 HydrophobicContact CD-CG1 4.32Å; K443-V1411 WeakPolarHBondContact CE-O 3.35Å; K443-V1411 HydrophobicContact CG-CG1 4.01Å; K443-V1411 PolarHBondContact NZ-O 2.79Å; K443-A1414 PolarHBondContact NZ-O 3.46Å
444S35.9Very low49.4Very low73 Ų7353.6 Ų53.651%0.5130%0.3SS..SBendtrans-92145.5167.453.70000110.6I446S444-I446 WeakPolarHBondContact O-CG1 3.48Å; S444-I446 PolarHBondContact O-N 3.22Å
445V34.5Very low50.2Low103 Ų10354.1 Ų54.162%0.62430%0.302SS*.  trans-55109.4178.6-174.30000110.5P449 P490V445-P449 HydrophobicContact CG1-CG 4.49Å; V445-P490 HydrophobicContact CG1-CG 4.2Å; V445-P490 HydrophobicContact CG2-CG 3.92Å
446I51.1Low50.5Low73 Ų7354.5 Ų54.537%0.37430%0.302SS..  trans-116122.8179.1-74.3162000107.7K437 S444K437-I446 HydrophobicContact CB-CG2 4.49Å; K437-I446 HydrophobicContact CD-CG2 4.23Å; K437-I446 HydrophobicContact CG-CG2 4.3Å; S444-I446 WeakPolarHBondContact O-CG1 3.48Å; S444-I446 PolarHBondContact O-N 3.22Å
447G50.2Low50.8Low22 Ų2256.8 Ų56.823%0.22731%0.309CS..SBendtrans93.6170.1-163.400000111.7
448T52.4Low51.1Low29 Ų2959.6 Ų59.618%0.17832%0.324CS..  trans-111.294.8-180-64.30000105.8K413 E450 F451 Y482K413-T448 HydrophobicContact CD-CG2 4.35Å; K413-T448 PolarHBondContact NZ-OG1 2.82Å; T448-E450 WeakPolarHBondContact CG2-OE2 3.29Å; T448-E450 PolarHBondContact O-N 2.82Å; T448-F451 HydrophobicContact CG2-CD2 3.89Å; T448-F451 PolarHBondContact O-N 2.94Å; T448-Y482 WeakPolarHBondContact CG2-OH 3.22Å
449P58.1Low51.3Low9 Ų962.2 Ų62.26%0.05833%0.334CS..G310 helixtrans-61.5-21.6-156.224.2-34.9000114V445 F451 M452 P490 I493V445-P449 HydrophobicContact CG1-CG 4.49Å; P449-F451 PolarHBondContact O-N 3.28Å; P449-M452 PolarHBondContact O-N 3.43Å; P449-P490 HydrophobicContact CB-CB 4.3Å; P449-P490 HydrophobicContact CG-CB 3.89Å; P449-P490 HydrophobicContact CG-CG 4.06Å; P449-I493 HydrophobicContact CB-CG2 4.36Å; P449-I493 HydrophobicContact CG-CD1 4.13Å
450E64.6Low51.7Low29 Ų2963 Ų6314%0.13634%0.341CS..G310 helixtrans-68.6-23.1176.8-49.179.9-169.300112.8T448 Y482 P483 Y484 I493T448-E450 WeakPolarHBondContact CG2-OE2 3.29Å; T448-E450 PolarHBondContact O-N 2.82Å; E450-Y482 HydrophobicContact CB-CE1 4.13Å; E450-Y482 HydrophobicContact CG-CD1 4.37Å; E450-Y482 HydrophobicContact CG-CE1 3.62Å; E450-Y482 PolarHBondContact OE2-OH 2.83Å; E450-P483 HydrophobicContact CB-CB 4.48Å; E450-P483 WeakPolarHBondContact CG-O 3.25Å; E450-Y484 HydrophobicContact CB-CD2 4.3Å; E450-I493 HydrophobicContact CG-CD1 3.71Å; E450-I493 WeakPolarHBondContact OE1-CD1 3.46Å
451F66Low53.2Low8 Ų861.3 Ų61.34%0.03532%0.324CS..G310 helixtrans-106-0.5-179.9-68.5-104.4000112.5K413 T448 P449 M472 E476 Y482 P483K413-F451 HydrophobicContact CB-CD1 3.9Å; K413-F451 HydrophobicContact CB-CE1 4.1Å; K413-F451 HydrophobicContact CB-CG 4.16Å; T448-F451 HydrophobicContact CG2-CD2 3.89Å; T448-F451 PolarHBondContact O-N 2.94Å; P449-F451 PolarHBondContact O-N 3.28Å; F451-M472 HydrophobicContact CD1-CB 3.63Å; F451-M472 HydrophobicContact CE1-CB 3.81Å; F451-M472 HydrophobicContact CG-CB 4.25Å; F451-E476 WeakPolarHBondContact CZ-OE2 3.49Å; F451-Y482 HydrophobicContact CE2-CD2 4.31Å; F451-Y482 AromaticContact CE2-CE2 3.61Å; F451-Y482 HydrophobicContact CE2-CE2 3.61Å; F451-Y482 AromaticContact CE2-CZ 3.77Å; F451-Y482 HydrophobicContact CZ-CE2 4.22Å; F451-P483 HydrophobicContact CE2-CG 4.39Å; F451-P483 HydrophobicContact CZ-CG 4.09Å
452M70.1Confident55.8Low17 Ų1756.6 Ų56.68%0.08431%0.306CS..  trans-85.8128.1-178.3-63.7-177.362.500111P449 M456 Y457 Y468P449-M452 PolarHBondContact O-N 3.43Å; M452-M456 HydrophobicContact CB-CE 3.89Å; M452-M456 HydrophobicContact CE-CE 4.12Å; M452-M456 HydrophobicContact CE-CG 4.34Å; M452-M456 HydrophobicContact CG-CE 3.68Å; M452-Y457 HydrophobicContact CB-CE2 3.9Å; M452-Y457 HydrophobicContact CE-CD1 4.21Å; M452-Y457 HydrophobicContact CE-CE1 3.71Å; M452-Y457 HydrophobicContact CE-CE2 4.09Å; M452-Y457 HydrophobicContact SD-CE1 4.27Å; M452-Y468 WeakPolarHBondContact O-CE1 3.45Å
453A61.5Low58.4Low0 Ų055.9 Ų55.90%029%0.285CS..  trans-69.8150.6169.700000110.6E455 M456 V465 Y468A453-E455 VanDerWaalsContact C-N 3.33Å; A453-E455 VanDerWaalsContact CB-OE1 3.23Å; A453-E455 WeakPolarHBondContact CB-OE1 3.33Å; A453-E455 WeakPolarHBondContact CB-OE2 3.35Å; A453-E455 PolarHBondContact O-N 3.23Å; A453-M456 WeakPolarHBondContact O-CB 3.47Å; A453-M456 PolarHBondContact O-N 3.4Å; A453-V465 HydrophobicContact CB-CB 4.33Å; A453-V465 HydrophobicContact CB-CG1 4.12Å; A453-Y468 HydrophobicContact CB-CD1 3.85Å; A453-Y468 HydrophobicContact CB-CD2 4.22Å; A453-Y468 HydrophobicContact CB-CE1 4.46Å; A453-Y468 HydrophobicContact CB-CG 3.71Å
454P64.2Low60.9Low13 Ų1351.6 Ų51.68%0.08427%0.268CS..G310 helixtrans-58.3-39.4-17621.2-32.1000113.7M456 Y457 V497 I498 V526P454-M456 PolarHBondContact O-N 3.16Å; P454-Y457 WeakPolarHBondContact O-CD2 3.46Å; P454-Y457 PolarHBondContact O-N 2.87Å; P454-V497 HydrophobicContact CB-CG1 4.1Å; P454-V497 HydrophobicContact CG-CG1 4.31Å; P454-I498 HydrophobicContact CB-CG1 3.97Å; P454-V526 HydrophobicContact CG-CG1 4.16Å; P454-V526 WeakPolarHBondContact CG-O 3.41Å
455E67.8Low63.5Low14 Ų1448.2 Ų48.27%0.06525%0.245CC..G310 helixtrans-72.1-14.1178.574.6-71.6174.700113.7A453 Y457 E458 V465 R531A453-E455 VanDerWaalsContact C-N 3.33Å; A453-E455 VanDerWaalsContact CB-OE1 3.23Å; A453-E455 WeakPolarHBondContact CB-OE1 3.33Å; A453-E455 WeakPolarHBondContact CB-OE2 3.35Å; A453-E455 PolarHBondContact O-N 3.23Å; E455-Y457 PolarHBondContact O-N 2.85Å; E455-Y457 VanDerWaalsContact O-N 3.16Å; E455-E458 WeakPolarHBondContact O-CB 3.45Å; E455-E458 PolarHBondContact O-N 2.71Å; E455-V465 HydrophobicContact CG-CG1 4.41Å; E455-V465 VanDerWaalsContact OE1-CG1 3.29Å; E455-V465 WeakPolarHBondContact OE1-CG1 3.42Å; E455-R531 IonicContact OE1-CZ 3.77Å; E455-R531 IonicContact OE1-NH1 2.75Å; E455-R531 PolarHBondContact OE1-NH1 3.37Å; E455-R531 IonicContact OE1-NH2 3.28Å; E455-R531 PolarHBondContact OE1-NH2 2.86Å; E455-R531 IonicContact OE2-CZ 2.69Å; E455-R531 IonicContact OE2-NH1 2.81Å; E455-R531 PolarHBondContact OE2-NH1 2.88Å; E455-R531 IonicContact OE2-NH2 2.78Å; E455-R531 PolarHBondContact OE2-NH2 2.84Å
456M54.1Low66.2Low31 Ų3143.3 Ų43.315%0.15322%0.215CC..G310 helixtrans-71-8.6176.2-163.5152.663.700112.7R410 M452 A453 P454 Y461 V465R410-M456 HydrophobicContact CB-SD 4.22Å; R410-M456 VanDerWaalsContact O-CE 3.27Å; R410-M456 WeakPolarHBondContact O-CE 3.43Å; M452-M456 HydrophobicContact CB-CE 3.89Å; M452-M456 HydrophobicContact CE-CE 4.12Å; M452-M456 HydrophobicContact CE-CG 4.34Å; M452-M456 HydrophobicContact CG-CE 3.68Å; A453-M456 WeakPolarHBondContact O-CB 3.47Å; A453-M456 PolarHBondContact O-N 3.4Å; P454-M456 PolarHBondContact O-N 3.16Å; M456-Y461 HydrophobicContact CG-CD1 4.09Å; M456-V465 HydrophobicContact CB-CG1 4.13Å; M456-V465 HydrophobicContact CG-CG1 4.48Å; M456-V465 HydrophobicContact SD-CB 4.06Å; M456-V465 HydrophobicContact SD-CG1 4.11Å; M456-V465 HydrophobicContact SD-CG2 4.11Å
457Y54.6Low68.3Low81 Ų8140 Ų4032%0.31820%0.199SC..G310 helixtrans-88.7-13.2168.8-61.4-87000113.3M452 P454 E455 Y494M452-Y457 HydrophobicContact CB-CE2 3.9Å; M452-Y457 HydrophobicContact CE-CD1 4.21Å; M452-Y457 HydrophobicContact CE-CE1 3.71Å; M452-Y457 HydrophobicContact CE-CE2 4.09Å; M452-Y457 HydrophobicContact SD-CE1 4.27Å; P454-Y457 WeakPolarHBondContact O-CD2 3.46Å; P454-Y457 PolarHBondContact O-N 2.87Å; E455-Y457 PolarHBondContact O-N 2.85Å; E455-Y457 VanDerWaalsContact O-N 3.16Å; Y457-Y494 AromaticContact CD1-CD2 3.98Å; Y457-Y494 HydrophobicContact CD1-CD2 3.98Å; Y457-Y494 AromaticContact CD1-CE2 3.81Å; Y457-Y494 HydrophobicContact CD1-CE2 3.81Å; Y457-Y494 AromaticContact CD2-CD2 3.91Å; Y457-Y494 HydrophobicContact CD2-CD2 3.91Å; Y457-Y494 AromaticContact CD2-CE2 3.8Å; Y457-Y494 HydrophobicContact CD2-CE2 3.8Å; Y457-Y494 AromaticContact CE1-CD2 3.87Å; Y457-Y494 HydrophobicContact CE1-CD2 3.87Å; Y457-Y494 HydrophobicContact CE1-CE2 4.19Å; Y457-Y494 AromaticContact CE2-CD2 3.79Å; Y457-Y494 HydrophobicContact CE2-CD2 3.79Å; Y457-Y494 HydrophobicContact CE2-CE2 4.18Å; Y457-Y494 HydrophobicContact CG-CD2 4Å; Y457-Y494 AromaticContact CG-CE2 3.6Å; Y457-Y494 HydrophobicContact CG-CE2 3.6Å; Y457-Y494 AromaticContact CZ-CD2 3.76Å
458E57.3Low70.5Confident133 Ų13339.2 Ų39.262%0.62119%0.189SC*.SBendtrans-94.34.6-179.1-57.8-179.3171.100113.1E455 M460E455-E458 WeakPolarHBondContact O-CB 3.45Å; E455-E458 PolarHBondContact O-N 2.71Å; E458-M460 PolarHBondContact O-N 3.49Å
459E55.5Low72.5Confident113 Ų11338 Ų3853%0.52818%0.182SC..SBendtrans60.5-14.8-176.3-55.5-175.7124.300116.8K439 Y461K439-E459 VanDerWaalsContact CE-OE1 3.22Å; K439-E459 WeakPolarHBondContact CE-OE1 3.47Å; K439-E459 WeakPolarHBondContact CE-OE2 3.29Å; K439-E459 VanDerWaalsContact CG-OE1 3.25Å; K439-E459 WeakPolarHBondContact CG-OE1 3.43Å; K439-E459 IonicContact NZ-OE1 3.74Å; K439-E459 PolarHBondContact NZ-OE1 2.9Å; K439-E459 IonicContact NZ-OE2 3.54Å; K439-E459 PolarHBondContact NZ-OE2 2.76Å; E459-Y461 PolarHBondContact O-N 3.33Å
460M55Low74.4Confident148 Ų14837.6 Ų37.673%0.72918%0.179SC*.  trans-96.557.3179.6-64.3-166.5-64.900113.1E458E458-M460 PolarHBondContact O-N 3.49Å
461Y66.9Low75.9Confident39 Ų3936.2 Ų36.215%0.15317%0.172CC..  trans-89157.317952.6-99.9000114I408 R410 N438 M456 E459 V465I408-Y461 HydrophobicContact CD1-CD2 4.31Å; R410-Y461 WeakPolarHBondContact CD-OH 3.48Å; R410-Y461 HydrophobicContact CG-CD2 4.42Å; R410-Y461 HydrophobicContact CG-CE2 3.89Å; R410-Y461 PolarHBondContact NH1-OH 3.2Å; N438-Y461 VanDerWaalsContact CG-OH 3.31Å; N438-Y461 PolarHBondContact ND2-OH 2.82Å; N438-Y461 PolarHBondContact OD1-OH 3.3Å; M456-Y461 HydrophobicContact CG-CD1 4.09Å; E459-Y461 PolarHBondContact O-N 3.33Å; Y461-V465 HydrophobicContact CG-CG1 4.42Å
462D81.3Confident77.3Confident49 Ų4935.8 Ų35.826%0.26217%0.171SC..  trans-128.1-164.1175.457.244.2000111.4S464 V465 R528D462-S464 PolarHBondContact O-N 3.15Å; D462-S464 VanDerWaalsContact O-N 3.11Å; D462-S464 WeakPolarHBondContact OD1-CB 3.38Å; D462-S464 PolarHBondContact OD1-N 3.11Å; D462-S464 PolarHBondContact OD1-OG 2.7Å; D462-V465 WeakPolarHBondContact O-CG2 3.44Å; D462-V465 PolarHBondContact O-N 3.28Å; D462-R528 WeakPolarHBondContact OD2-CD 3.49Å; D462-R528 IonicContact OD2-CZ 2.75Å; D462-R528 IonicContact OD2-NE 3.08Å; D462-R528 IonicContact OD2-NH1 3.05Å; D462-R528 PolarHBondContact OD2-NH1 3.02Å
463E87.9Confident78.6Confident84 Ų8435 Ų3539%0.39317%0.167SC..THydrogen-bonded Turntrans-57.5-20.1179.5-64155.2-145.900113.9H401 I408 V465 D466H401-E463 HydrophobicContact CB-CG 4.04Å; H401-E463 PolarHBondContact CE1-O 3.44Å; I408-E463 HydrophobicContact CG1-CG 4.3Å; E463-V465 VanDerWaalsContact C-N 3.34Å; E463-V465 PolarHBondContact O-N 3.16Å; E463-D466 PolarHBondContact O-N 3.43Å
464S90Very high80.3Confident15 Ų1535 Ų3511%0.10517%0.167CC..Hα-helixtrans-75.2-15-175.872.90000114.8D462 D466 V467 Y468 R528 R531D462-S464 PolarHBondContact O-N 3.15Å; D462-S464 VanDerWaalsContact O-N 3.11Å; D462-S464 WeakPolarHBondContact OD1-CB 3.38Å; D462-S464 PolarHBondContact OD1-N 3.11Å; D462-S464 PolarHBondContact OD1-OG 2.7Å; S464-D466 VanDerWaalsContact C-N 3.27Å; S464-D466 PolarHBondContact O-N 2.61Å; S464-V467 WeakPolarHBondContact O-CB 3.46Å; S464-V467 PolarHBondContact O-N 3.29Å; S464-Y468 PolarHBondContact O-N 3.47Å; S464-Y468 VanDerWaalsContact O-N 3.08Å; S464-R528 VanDerWaalsContact OG-CB 3.24Å; S464-R528 WeakPolarHBondContact OG-CB 3.22Å; S464-R531 PolarHBondContact O-NH1 3.47Å; S464-R531 VanDerWaalsContact O-NH1 3.16Å; S464-R531 PolarHBondContact OG-NH1 3.4Å
465V89.5Confident81.8Confident2 Ų234.4 Ų34.41%0.01216%0.163CC..Hα-helixtrans-65.5-35.3171.2-58.40000111.1I408 A453 E455 M456 Y461 D462 E463 V467 Y468 A469I408-V465 HydrophobicContact CG2-CG2 3.62Å; A453-V465 HydrophobicContact CB-CB 4.33Å; A453-V465 HydrophobicContact CB-CG1 4.12Å; E455-V465 HydrophobicContact CG-CG1 4.41Å; E455-V465 VanDerWaalsContact OE1-CG1 3.29Å; E455-V465 WeakPolarHBondContact OE1-CG1 3.42Å; M456-V465 HydrophobicContact CB-CG1 4.13Å; M456-V465 HydrophobicContact CG-CG1 4.48Å; M456-V465 HydrophobicContact SD-CB 4.06Å; M456-V465 HydrophobicContact SD-CG1 4.11Å; M456-V465 HydrophobicContact SD-CG2 4.11Å; Y461-V465 HydrophobicContact CG-CG1 4.42Å; D462-V465 WeakPolarHBondContact O-CG2 3.44Å; D462-V465 PolarHBondContact O-N 3.28Å; E463-V465 VanDerWaalsContact C-N 3.34Å; E463-V465 PolarHBondContact O-N 3.16Å; V465-V467 VanDerWaalsContact C-N 3.31Å; V465-Y468 PolarHBondContact O-N 2.83Å; V465-A469 WeakPolarHBondContact O-CB 3.31Å; V465-A469 PolarHBondContact O-N 3.43Å
466D92.9Very high83.1Confident0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-73.5-27.5178.4-62.2-24000111.3L397 H401 H409 R410 E463 S464 F470L397-D466 HydrophobicContact CD1-CB 4.14Å; L397-D466 HydrophobicContact CD2-CB 3.93Å; H401-D466 IonicContact CD2-OD2 3.72Å; H401-D466 IonicContact CE1-OD2 3.02Å; H401-D466 IonicContact NE2-OD2 2.95Å; H401-D466 PolarHBondContact NE2-OD2 3.2Å; H409-D466 WeakPolarHBondContact CA-OD1 3.36Å; H409-D466 WeakPolarHBondContact CB-OD1 3.45Å; H409-D466 PolarHBondContact N-OD1 2.81Å; H409-D466 PolarHBondContact N-OD2 2.84Å; R410-D466 PolarHBondContact N-OD1 2.81Å; E463-D466 PolarHBondContact O-N 3.43Å; S464-D466 VanDerWaalsContact C-N 3.27Å; S464-D466 PolarHBondContact O-N 2.61Å; D466-F470 WeakPolarHBondContact O-CB 3.47Å; D466-F470 PolarHBondContact O-N 3.2Å
467V95.4Very high85Confident5 Ų533.1 Ų33.13%0.0316%0.156CC..Hα-helixtrans-67.6-48.1171.2170.40000110.8S464 V465 A469 F470 G471 C523 R531 S532 V534 L537S464-V467 WeakPolarHBondContact O-CB 3.46Å; S464-V467 PolarHBondContact O-N 3.29Å; V465-V467 VanDerWaalsContact C-N 3.31Å; V467-A469 PolarHBondContact O-N 3.49Å; V467-F470 WeakPolarHBondContact O-CB 3.49Å; V467-F470 PolarHBondContact O-N 2.98Å; V467-G471 PolarHBondContact O-N 3.42Å; V467-C523 HydrophobicContact CG1-CB 4.17Å; V467-R531 HydrophobicContact CG1-CB 4.24Å; V467-S532 WeakPolarHBondContact CG1-O 3.47Å; V467-V534 HydrophobicContact CG2-CG2 3.72Å; V467-L537 HydrophobicContact CG1-CD1 4.27Å
468Y95.2Very high86.9Confident4 Ų430.6 Ų30.62%0.01615%0.149CC..Hα-helixtrans-59.2-47.9176.4178.5-84.3000111.1M452 A453 S464 V465 F470 G471 M472 V497 C523 I524M452-Y468 WeakPolarHBondContact O-CE1 3.45Å; A453-Y468 HydrophobicContact CB-CD1 3.85Å; A453-Y468 HydrophobicContact CB-CD2 4.22Å; A453-Y468 HydrophobicContact CB-CE1 4.46Å; A453-Y468 HydrophobicContact CB-CG 3.71Å; S464-Y468 PolarHBondContact O-N 3.47Å; S464-Y468 VanDerWaalsContact O-N 3.08Å; V465-Y468 PolarHBondContact O-N 2.83Å; Y468-F470 VanDerWaalsContact C-N 3.34Å; Y468-F470 PolarHBondContact O-N 3.08Å; Y468-G471 WeakPolarHBondContact O-CA 3.45Å; Y468-G471 PolarHBondContact O-N 3.49Å; Y468-G471 VanDerWaalsContact O-N 3.09Å; Y468-M472 HydrophobicContact CD1-CG 4.41Å; Y468-M472 HydrophobicContact CE1-CE 3.92Å; Y468-M472 HydrophobicContact CE1-CG 4.06Å; Y468-M472 HydrophobicContact CE2-CE 4.16Å; Y468-M472 PolarHBondContact O-N 3.25Å; Y468-M472 VanDerWaalsContact OH-CE 3.28Å; Y468-M472 WeakPolarHBondContact OH-CE 3.29Å; Y468-V497 WeakPolarHBondContact OH-CG1 3.42Å; Y468-V497 WeakPolarHBondContact OH-CG2 3.2Å; Y468-C523 WeakPolarHBondContact CA-O 3.48Å; Y468-I524 HydrophobicContact CD2-CB 4.22Å; Y468-I524 HydrophobicContact CE2-CB 4.09Å
469A94.7Very high88.5Confident4 Ų425.6 Ų25.63%0.03313%0.128CC..Hα-helixtrans-63.6-36.2176.900000112.9L412 V465 V467 M472 C473L412-A469 HydrophobicContact CB-CB 3.84Å; L412-A469 HydrophobicContact CD2-CB 4.27Å; L412-A469 HydrophobicContact CG-CB 4.46Å; V465-A469 WeakPolarHBondContact O-CB 3.31Å; V465-A469 PolarHBondContact O-N 3.43Å; V467-A469 PolarHBondContact O-N 3.49Å; A469-M472 PolarHBondContact O-N 2.94Å; A469-C473 PolarHBondContact O-N 3.48Å
470F97.4Very high90.2Very high0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-62.1-41.2170.6166.8-96.6000111.9C390 I393 L394 L397 L412 D466 V467 Y468 M472 C473 L474 L537 F543C390-F470 HydrophobicContact CB-CE2 4.01Å; C390-F470 HydrophobicContact CB-CZ 4.03Å; I393-F470 HydrophobicContact CB-CD2 4.33Å; I393-F470 HydrophobicContact CB-CE2 4.39Å; I393-F470 HydrophobicContact CG2-CD2 3.81Å; I393-F470 HydrophobicContact CG2-CE2 4.36Å; L394-F470 HydrophobicContact CD1-CE1 4.19Å; L394-F470 HydrophobicContact CD1-CE2 4.23Å; L394-F470 HydrophobicContact CD1-CZ 3.7Å; L394-F470 HydrophobicContact CD2-CD1 3.96Å; L394-F470 HydrophobicContact CD2-CD2 4.14Å; L394-F470 HydrophobicContact CD2-CE1 3.8Å; L394-F470 HydrophobicContact CD2-CE2 3.99Å; L394-F470 HydrophobicContact CD2-CG 4.13Å; L394-F470 HydrophobicContact CD2-CZ 3.82Å; L394-F470 HydrophobicContact CG-CD2 4.28Å; L394-F470 HydrophobicContact CG-CE1 4.15Å; L394-F470 HydrophobicContact CG-CE2 3.72Å; L394-F470 HydrophobicContact CG-CZ 3.65Å; L397-F470 HydrophobicContact CD1-CB 4.23Å; L412-F470 HydrophobicContact CD2-CB 4.16Å; D466-F470 WeakPolarHBondContact O-CB 3.47Å; D466-F470 PolarHBondContact O-N 3.2Å; V467-F470 WeakPolarHBondContact O-CB 3.49Å; V467-F470 PolarHBondContact O-N 2.98Å; Y468-F470 VanDerWaalsContact C-N 3.34Å; Y468-F470 PolarHBondContact O-N 3.08Å; F470-M472 VanDerWaalsContact C-N 3.33Å; F470-M472 PolarHBondContact O-N 2.96Å; F470-C473 WeakPolarHBondContact O-CB 3.22Å; F470-C473 PolarHBondContact O-N 2.89Å; F470-L474 HydrophobicContact CE1-CD2 4.47Å; F470-L474 WeakPolarHBondContact O-CB 3.39Å; F470-L474 PolarHBondContact O-N 2.94Å; F470-L537 HydrophobicContact CD1-CD1 4.15Å; F470-L537 HydrophobicContact CE1-CD1 4.16Å; F470-F543 HydrophobicContact CE1-CZ 4.44Å; F470-F543 HydrophobicContact CZ-CE2 4.48Å; F470-F543 AromaticContact CZ-CZ 3.95Å; F470-F543 HydrophobicContact CZ-CZ 3.95Å
471G97Very high91.9Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-58.2-43.5173.200000112.6V467 Y468 L474 L475V467-G471 PolarHBondContact O-N 3.42Å; Y468-G471 WeakPolarHBondContact O-CA 3.45Å; Y468-G471 PolarHBondContact O-N 3.49Å; Y468-G471 VanDerWaalsContact O-N 3.09Å; G471-L474 PolarHBondContact O-N 3.02Å; G471-L475 PolarHBondContact O-N 3.22Å
472M96.1Very high93.1Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-68.4-37.1175.4-66.1-57.7-17600113F451 Y468 A469 F470 L475 E476 P483 Y484 P503 I524F451-M472 HydrophobicContact CD1-CB 3.63Å; F451-M472 HydrophobicContact CE1-CB 3.81Å; F451-M472 HydrophobicContact CG-CB 4.25Å; Y468-M472 HydrophobicContact CD1-CG 4.41Å; Y468-M472 HydrophobicContact CE1-CE 3.92Å; Y468-M472 HydrophobicContact CE1-CG 4.06Å; Y468-M472 HydrophobicContact CE2-CE 4.16Å; Y468-M472 PolarHBondContact O-N 3.25Å; Y468-M472 VanDerWaalsContact OH-CE 3.28Å; Y468-M472 WeakPolarHBondContact OH-CE 3.29Å; A469-M472 PolarHBondContact O-N 2.94Å; F470-M472 VanDerWaalsContact C-N 3.33Å; F470-M472 PolarHBondContact O-N 2.96Å; M472-L475 PolarHBondContact O-N 2.86Å; M472-L475 HydrophobicContact SD-CD2 4.13Å; M472-E476 PolarHBondContact O-N 3.39Å; M472-P483 HydrophobicContact CB-CG 4.29Å; M472-P483 HydrophobicContact SD-CB 4Å; M472-P483 HydrophobicContact SD-CG 4.31Å; M472-Y484 HydrophobicContact CE-CE2 3.83Å; M472-P503 HydrophobicContact CE-CG 4.03Å; M472-P503 HydrophobicContact SD-CG 4.06Å; M472-I524 HydrophobicContact CE-CB 4.16Å; M472-I524 HydrophobicContact CE-CD1 4.34Å; M472-I524 HydrophobicContact CE-CG2 3.92Å; M472-I524 HydrophobicContact CG-CG2 4.34Å; M472-I524 HydrophobicContact SD-CG2 4.09Å
473C97Very high93.6Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-62-41.1170.3-780000112.8K413 C414 I417 A469 F470 M477K413-C473 VanDerWaalsContact C-SG 3.53Å; K413-C473 WeakPolarHBondContact CA-SG 3.42Å; C414-C473 PolarHBondContact N-SG 3.49Å; I417-C473 HydrophobicContact CD1-CB 4.45Å; A469-C473 PolarHBondContact O-N 3.48Å; F470-C473 WeakPolarHBondContact O-CB 3.22Å; F470-C473 PolarHBondContact O-N 2.89Å; C473-M477 WeakPolarHBondContact O-CB 3.39Å; C473-M477 WeakPolarHBondContact O-CG 3.44Å; C473-M477 PolarHBondContact O-N 2.93Å
474L96.6Very high93.9Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-65.6-40.9176.2177.356.1000111L386 F470 G471 M477 V478 I516 I519 I520 F543L386-L474 HydrophobicContact CD1-CD1 4.1Å; L386-L474 HydrophobicContact CD2-CD1 4.29Å; L386-L474 HydrophobicContact CG-CD1 4.35Å; F470-L474 HydrophobicContact CE1-CD2 4.47Å; F470-L474 WeakPolarHBondContact O-CB 3.39Å; F470-L474 PolarHBondContact O-N 2.94Å; G471-L474 PolarHBondContact O-N 3.02Å; L474-M477 PolarHBondContact O-N 3.38Å; L474-V478 HydrophobicContact CD1-CG2 3.81Å; L474-V478 HydrophobicContact CG-CG2 4.45Å; L474-V478 WeakPolarHBondContact O-CB 3.4Å; L474-V478 WeakPolarHBondContact O-CG2 3.34Å; L474-V478 PolarHBondContact O-N 3.25Å; L474-I516 HydrophobicContact CD1-CG2 4.33Å; L474-I516 HydrophobicContact CG-CG2 4.39Å; L474-I519 HydrophobicContact CD2-CB 4.49Å; L474-I519 HydrophobicContact CD2-CG2 3.71Å; L474-I520 HydrophobicContact CB-CG1 4.15Å; L474-I520 HydrophobicContact CD2-CD1 4.44Å; L474-I520 HydrophobicContact CD2-CG1 3.68Å; L474-I520 HydrophobicContact CG-CD1 3.98Å; L474-I520 HydrophobicContact CG-CG1 3.66Å; L474-F543 HydrophobicContact CD2-CZ 4.34Å
475L95.8Very high94Very high0 Ų016.9 Ų16.90%010%0.1CC..Hα-helixtrans-61.1-47.7174.2-178.760.6000112.6G471 M472 M477 V478 T479 P483 P503 F506 I509 I520G471-L475 PolarHBondContact O-N 3.22Å; M472-L475 PolarHBondContact O-N 2.86Å; M472-L475 HydrophobicContact SD-CD2 4.13Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 3.19Å; L475-V478 PolarHBondContact O-N 3.11Å; L475-T479 HydrophobicContact CD1-CG2 3.81Å; L475-T479 WeakPolarHBondContact O-CB 3.43Å; L475-T479 WeakPolarHBondContact O-CG2 3.48Å; L475-T479 PolarHBondContact O-N 2.95Å; L475-T479 PolarHBondContact O-OG1 3Å; L475-P483 HydrophobicContact CD2-CB 4.47Å; L475-P483 HydrophobicContact CD2-CG 4.41Å; L475-P503 HydrophobicContact CD2-CB 4Å; L475-P503 HydrophobicContact CD2-CG 3.77Å; L475-F506 HydrophobicContact CD1-CB 4.48Å; L475-I509 HydrophobicContact CD1-CD1 3.93Å; L475-I509 HydrophobicContact CD1-CG1 3.89Å; L475-I520 HydrophobicContact CB-CD1 4.14Å; L475-I520 HydrophobicContact CB-CG2 4.36Å; L475-I520 HydrophobicContact CD1-CD1 4.24Å
476E95.2Very high94.1Very high13 Ų1319.6 Ų19.66%0.06111%0.113CC..Hα-helixtrans-61.2-41.5176-164.6-170170.900111.3L375 C414 F451 M472 V478 G480 P483L375-E476 HydrophobicContact CD1-CG 4.03Å; C414-E476 WeakPolarHBondContact CB-OE2 3.44Å; C414-E476 PolarHBondContact SG-OE2 2.88Å; F451-E476 WeakPolarHBondContact CZ-OE2 3.49Å; M472-E476 PolarHBondContact O-N 3.39Å; E476-V478 VanDerWaalsContact C-N 3.34Å; E476-V478 PolarHBondContact O-N 3.09Å; E476-G480 VanDerWaalsContact O-CA 3.31Å; E476-G480 WeakPolarHBondContact O-CA 3.48Å; E476-G480 PolarHBondContact O-N 2.99Å; E476-P483 HydrophobicContact CB-CG 4.4Å
477M93.7Very high93.9Very high5 Ų520.4 Ų20.43%0.02512%0.118CC..Hα-helixtrans-66-31.4178.3-82.7-168.1-74.800114.6L371 L375 I381 L386 W389 C390 I393 C473 L474 L475L371-M477 HydrophobicContact CD1-CG 3.91Å; L371-M477 HydrophobicContact CD1-SD 3.82Å; L371-M477 HydrophobicContact CD2-CE 4.15Å; L371-M477 HydrophobicContact CD2-CG 3.82Å; L371-M477 HydrophobicContact CD2-SD 3.55Å; L371-M477 VanDerWaalsContact CD2-SD 3.55Å; L371-M477 HydrophobicContact CG-CG 4.12Å; L371-M477 HydrophobicContact CG-SD 4.21Å; L375-M477 HydrophobicContact CD1-CG 4.19Å; I381-M477 HydrophobicContact CD1-CB 4Å; I381-M477 HydrophobicContact CD1-CG 3.83Å; I381-M477 HydrophobicContact CD1-SD 4.22Å; L386-M477 HydrophobicContact CD1-CB 3.53Å; L386-M477 HydrophobicContact CD1-CE 4.14Å; L386-M477 HydrophobicContact CD1-CG 4.23Å; L386-M477 HydrophobicContact CD1-SD 3.74Å; W389-M477 HydrophobicContact CE3-SD 4.34Å; C390-M477 WeakPolarHBondContact SG-CE 3.24Å; I393-M477 HydrophobicContact CD1-CE 4.24Å; C473-M477 WeakPolarHBondContact O-CB 3.39Å; C473-M477 WeakPolarHBondContact O-CG 3.44Å; C473-M477 PolarHBondContact O-N 2.93Å; L474-M477 PolarHBondContact O-N 3.38Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 3.19Å
478V93.6Very high93.4Very high28 Ų2829.2 Ų29.217%0.1716%0.161CC..Hα-helixtrans-87.9-39.4-174.5168.90000111.7L386 L474 L475 E476 I509 I516L386-V478 HydrophobicContact CD1-CG2 4.36Å; L386-V478 HydrophobicContact CD2-CG2 3.61Å; L474-V478 HydrophobicContact CD1-CG2 3.81Å; L474-V478 HydrophobicContact CG-CG2 4.45Å; L474-V478 WeakPolarHBondContact O-CB 3.4Å; L474-V478 WeakPolarHBondContact O-CG2 3.34Å; L474-V478 PolarHBondContact O-N 3.25Å; L475-V478 PolarHBondContact O-N 3.11Å; E476-V478 VanDerWaalsContact C-N 3.34Å; E476-V478 PolarHBondContact O-N 3.09Å; V478-I509 HydrophobicContact CG1-CG2 4.11Å; V478-I516 HydrophobicContact CB-CG2 4.45Å; V478-I516 HydrophobicContact CG1-CG2 4.19Å; V478-I516 HydrophobicContact CG2-CD1 4.33Å; V478-I516 HydrophobicContact CG2-CG2 3.64Å
479T92Very high92.7Very high29 Ų2932.2 Ų32.218%0.17818%0.178CC..Hα-helixtrans-86.3-30.6-179.759.10000112.4L475 E481 C505 I509L475-T479 HydrophobicContact CD1-CG2 3.81Å; L475-T479 WeakPolarHBondContact O-CB 3.43Å; L475-T479 WeakPolarHBondContact O-CG2 3.48Å; L475-T479 PolarHBondContact O-N 2.95Å; L475-T479 PolarHBondContact O-OG1 3Å; T479-E481 PolarHBondContact O-N 2.95Å; T479-E481 PolarHBondContact OG1-N 3.34Å; T479-E481 VanDerWaalsContact OG1-N 3.08Å; T479-E481 PolarHBondContact OG1-O 3.24Å; T479-C505 HydrophobicContact CG2-CB 4.1Å; T479-C505 WeakPolarHBondContact CG2-O 3.37Å; T479-I509 HydrophobicContact CG2-CG1 4.46Å
480G90.9Very high92Very high40 Ų4034.5 Ų34.541%0.41219%0.192SC..SBendtrans72.57.7-165.200000113.3E476E476-G480 VanDerWaalsContact O-CA 3.31Å; E476-G480 WeakPolarHBondContact O-CA 3.48Å; E476-G480 PolarHBondContact O-N 2.99Å
481E91.4Very high91.1Very high70 Ų7036.8 Ų36.833%0.32721%0.211SC..SBendtrans-114.3142.7-177.2-60.7-171.6140.500110.5T479 C505 R508T479-E481 PolarHBondContact O-N 2.95Å; T479-E481 PolarHBondContact OG1-N 3.34Å; T479-E481 VanDerWaalsContact OG1-N 3.08Å; T479-E481 PolarHBondContact OG1-O 3.24Å; E481-C505 HydrophobicContact CB-CB 4.24Å; E481-R508 IonicContact OE1-NH1 3.83Å; E481-R508 PolarHBondContact OE1-NH1 2.9Å; E481-R508 WeakPolarHBondContact OE2-CD 3.28Å; E481-R508 IonicContact OE2-CZ 2.73Å; E481-R508 IonicContact OE2-NE 2.7Å; E481-R508 IonicContact OE2-NH1 3.54Å; E481-R508 PolarHBondContact OE2-NH1 3.1Å
482Y91Very high90.7Very high72 Ų7238.5 Ų38.528%0.28222%0.222SC..  trans-72.9129.6-179.3-167.4-104.5000110.3T448 E450 F451 S485T448-Y482 WeakPolarHBondContact CG2-OH 3.22Å; E450-Y482 HydrophobicContact CB-CE1 4.13Å; E450-Y482 HydrophobicContact CG-CD1 4.37Å; E450-Y482 HydrophobicContact CG-CE1 3.62Å; E450-Y482 PolarHBondContact OE2-OH 2.83Å; F451-Y482 HydrophobicContact CE2-CD2 4.31Å; F451-Y482 AromaticContact CE2-CE2 3.61Å; F451-Y482 HydrophobicContact CE2-CE2 3.61Å; F451-Y482 AromaticContact CE2-CZ 3.77Å; F451-Y482 HydrophobicContact CZ-CE2 4.22Å; Y482-S485 VanDerWaalsContact O-CB 3.24Å; Y482-S485 WeakPolarHBondContact O-CB 3.48Å; Y482-S485 PolarHBondContact O-N 3.01Å; Y482-S485 PolarHBondContact O-OG 3.1Å
483P93.3Very high90.2Very high0 Ų038.7 Ų38.70%022%0.222CC..THydrogen-bonded Turntrans-54.8142.6178.3-27.135.4000112.4E450 F451 M472 L475 E476 S485 P503E450-P483 HydrophobicContact CB-CB 4.48Å; E450-P483 WeakPolarHBondContact CG-O 3.25Å; F451-P483 HydrophobicContact CE2-CG 4.39Å; F451-P483 HydrophobicContact CZ-CG 4.09Å; M472-P483 HydrophobicContact CB-CG 4.29Å; M472-P483 HydrophobicContact SD-CB 4Å; M472-P483 HydrophobicContact SD-CG 4.31Å; L475-P483 HydrophobicContact CD2-CB 4.47Å; L475-P483 HydrophobicContact CD2-CG 4.41Å; E476-P483 HydrophobicContact CB-CG 4.4Å; P483-S485 PolarHBondContact O-N 3.02Å; P483-S485 VanDerWaalsContact O-N 3.12Å; P483-P503 HydrophobicContact CB-CG 4.23Å
484Y93.7Very high89.4Confident7 Ų743.1 Ų43.13%0.02724%0.24CC..THydrogen-bonded Turntrans53.724.2-177.1-63.7-68.2000115.7E450 M472 E486 C487 I493 K496 V497 V501 P503E450-Y484 HydrophobicContact CB-CD2 4.3Å; M472-Y484 HydrophobicContact CE-CE2 3.83Å; Y484-E486 VanDerWaalsContact CA-OE2 3.23Å; Y484-E486 WeakPolarHBondContact CA-OE2 3.48Å; Y484-E486 PolarHBondContact O-N 2.88Å; Y484-E486 VanDerWaalsContact O-N 3.1Å; Y484-C487 VanDerWaalsContact O-CB 3.25Å; Y484-C487 WeakPolarHBondContact O-CB 3.33Å; Y484-C487 PolarHBondContact O-N 3.48Å; Y484-I493 HydrophobicContact CD2-CG2 3.88Å; Y484-I493 HydrophobicContact CE2-CG2 4.4Å; Y484-I493 HydrophobicContact CG-CG2 4.11Å; Y484-K496 HydrophobicContact CD1-CD 3.87Å; Y484-K496 HydrophobicContact CE1-CB 3.94Å; Y484-K496 HydrophobicContact CE1-CD 3.8Å; Y484-V497 HydrophobicContact CD2-CG2 4.44Å; Y484-V497 HydrophobicContact CE2-CG2 3.55Å; Y484-V501 VanDerWaalsContact CE1-O 3.3Å; Y484-V501 WeakPolarHBondContact CE1-O 3.48Å; Y484-V501 PolarHBondContact OH-O 3.07Å; Y484-P503 HydrophobicContact CD1-CB 4.16Å; Y484-P503 HydrophobicContact CD1-CG 4.08Å; Y484-P503 HydrophobicContact CD2-CG 3.89Å; Y484-P503 HydrophobicContact CE1-CB 4.26Å; Y484-P503 HydrophobicContact CE1-CG 3.87Å; Y484-P503 HydrophobicContact CE2-CG 3.67Å; Y484-P503 HydrophobicContact CG-CB 4.35Å; Y484-P503 HydrophobicContact CG-CG 4.1Å
485S92Very high88.9Confident75 Ų7549.9 Ų49.952%0.52427%0.265SS..THydrogen-bonded Turntrans-64-12.917944.20000114.7Y482 P483 C487Y482-S485 VanDerWaalsContact O-CB 3.24Å; Y482-S485 WeakPolarHBondContact O-CB 3.48Å; Y482-S485 PolarHBondContact O-N 3.01Å; Y482-S485 PolarHBondContact O-OG 3.1Å; P483-S485 PolarHBondContact O-N 3.02Å; P483-S485 VanDerWaalsContact O-N 3.12Å; S485-C487 PolarHBondContact O-N 3.02Å
486E91.4Very high88.6Confident60 Ų6052.2 Ų52.228%0.2828%0.275SS..THydrogen-bonded Turntrans-72.5-9.8167.376.2-74.6177.500113.8Y484 K496 E504Y484-E486 VanDerWaalsContact CA-OE2 3.23Å; Y484-E486 WeakPolarHBondContact CA-OE2 3.48Å; Y484-E486 PolarHBondContact O-N 2.88Å; Y484-E486 VanDerWaalsContact O-N 3.1Å; E486-K496 IonicContact OE1-NZ 3.84Å; E486-K496 PolarHBondContact OE1-NZ 3Å; E486-E504 HydrophobicContact CG-CB 4.16Å; E486-E504 PolarHBondContact OE1-N 3.15Å
487C89.3Confident88.3Confident17 Ų1751.9 Ų51.912%0.11527%0.274CS..  trans-98.5115.8-177.1-60.30000112.2Y484 S485 N489 T492 I493Y484-C487 VanDerWaalsContact O-CB 3.25Å; Y484-C487 WeakPolarHBondContact O-CB 3.33Å; Y484-C487 PolarHBondContact O-N 3.48Å; S485-C487 PolarHBondContact O-N 3.02Å; C487-N489 VanDerWaalsContact C-N 3.26Å; C487-N489 PolarHBondContact O-N 3.16Å; C487-T492 HydrophobicContact CB-CG2 4.13Å; C487-I493 HydrophobicContact CB-CD1 4.19Å; C487-I493 HydrophobicContact CB-CG1 3.47Å; C487-I493 VanDerWaalsContact CB-CG1 3.47Å
488M84.7Confident87.9Confident189 Ų18955.4 Ų55.493%0.93129%0.292SS*.SBendtrans-70.4-11.7-178.7-62.3-177.872.200115.6
489N80.2Confident87.5Confident68 Ų6857.9 Ų57.936%0.36431%0.311SS..SBendtrans-154.6154.5-178.368.975.7000113.7C487 A491 T492 I493C487-N489 VanDerWaalsContact C-N 3.26Å; C487-N489 PolarHBondContact O-N 3.16Å; N489-A491 VanDerWaalsContact C-N 3.29Å; N489-A491 PolarHBondContact O-N 3.21Å; N489-A491 WeakPolarHBondContact OD1-CB 3.4Å; N489-A491 PolarHBondContact OD1-N 2.85Å; N489-A491 VanDerWaalsContact OD1-N 3.07Å; N489-T492 PolarHBondContact ND2-OG1 2.93Å; N489-T492 PolarHBondContact O-N 2.94Å; N489-T492 VanDerWaalsContact O-N 3.16Å; N489-T492 PolarHBondContact OD1-N 3.18Å; N489-T492 PolarHBondContact OD1-OG1 2.93Å; N489-I493 PolarHBondContact O-N 3.07Å
490P79.4Confident87.3Confident51 Ų5158 Ų5833%0.33132%0.317SS..Hα-helixtrans-53.4-35.2177.7-31.537.9000115.8V445 P449 T492 I493 Y494V445-P490 HydrophobicContact CG1-CG 4.2Å; V445-P490 HydrophobicContact CG2-CG 3.92Å; P449-P490 HydrophobicContact CB-CB 4.3Å; P449-P490 HydrophobicContact CG-CB 3.89Å; P449-P490 HydrophobicContact CG-CG 4.06Å; P490-T492 VanDerWaalsContact C-N 3.35Å; P490-T492 PolarHBondContact O-N 3.1Å; P490-I493 WeakPolarHBondContact O-CB 3.4Å; P490-I493 PolarHBondContact O-N 3.44Å; P490-Y494 WeakPolarHBondContact O-CB 3.35Å; P490-Y494 PolarHBondContact O-N 3.03Å
491A78.6Confident87.4Confident48 Ų4859.2 Ų59.240%0.39732%0.317SS..Hα-helixtrans-71.7-30.7-177.900000112.2N489 R495N489-A491 VanDerWaalsContact C-N 3.29Å; N489-A491 PolarHBondContact O-N 3.21Å; N489-A491 WeakPolarHBondContact OD1-CB 3.4Å; N489-A491 PolarHBondContact OD1-N 2.85Å; N489-A491 VanDerWaalsContact OD1-N 3.07Å; A491-R495 VanDerWaalsContact C-NH1 3.35Å; A491-R495 WeakPolarHBondContact O-CG 3.47Å; A491-R495 PolarHBondContact O-N 3.26Å; A491-R495 VanDerWaalsContact O-N 3.1Å; A491-R495 PolarHBondContact O-NH1 3.36Å
492T88Confident87.5Confident37 Ų3759.5 Ų59.523%0.22732%0.317CS..Hα-helixtrans-68.2-39.4170.6-60.20000111.6C487 N489 P490 R495 K496C487-T492 HydrophobicContact CB-CG2 4.13Å; N489-T492 PolarHBondContact ND2-OG1 2.93Å; N489-T492 PolarHBondContact O-N 2.94Å; N489-T492 VanDerWaalsContact O-N 3.16Å; N489-T492 PolarHBondContact OD1-N 3.18Å; N489-T492 PolarHBondContact OD1-OG1 2.93Å; P490-T492 VanDerWaalsContact C-N 3.35Å; P490-T492 PolarHBondContact O-N 3.1Å; T492-R495 PolarHBondContact O-N 3.44Å; T492-R495 PolarHBondContact OG1-NH2 3.3Å; T492-K496 PolarHBondContact O-N 3.13Å; T492-K496 VanDerWaalsContact O-N 3.08Å
493I85.9Confident87.7Confident3 Ų356.2 Ų56.22%0.01531%0.305CS..Hα-helixtrans-62.6-52.5175.4-61158.4000109.7P449 E450 Y484 C487 N489 P490 R495 K496 V497P449-I493 HydrophobicContact CB-CG2 4.36Å; P449-I493 HydrophobicContact CG-CD1 4.13Å; E450-I493 HydrophobicContact CG-CD1 3.71Å; E450-I493 WeakPolarHBondContact OE1-CD1 3.46Å; Y484-I493 HydrophobicContact CD2-CG2 3.88Å; Y484-I493 HydrophobicContact CE2-CG2 4.4Å; Y484-I493 HydrophobicContact CG-CG2 4.11Å; C487-I493 HydrophobicContact CB-CD1 4.19Å; C487-I493 HydrophobicContact CB-CG1 3.47Å; C487-I493 VanDerWaalsContact CB-CG1 3.47Å; N489-I493 PolarHBondContact O-N 3.07Å; P490-I493 WeakPolarHBondContact O-CB 3.4Å; P490-I493 PolarHBondContact O-N 3.44Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.17Å; I493-K496 WeakPolarHBondContact O-CB 3.39Å; I493-K496 PolarHBondContact O-N 3.06Å; I493-K496 VanDerWaalsContact O-N 3.08Å; I493-V497 HydrophobicContact CG2-CG2 4.14Å; I493-V497 WeakPolarHBondContact O-CG2 3.43Å; I493-V497 PolarHBondContact O-N 3.11Å
494Y80.9Confident87.7Confident94 Ų9460.5 Ų60.537%0.36933%0.325SS..Hα-helixtrans-50.9-48.7175.9177.5-98.9000112.8Y457 P490 V497 I498Y457-Y494 AromaticContact CD1-CD2 3.98Å; Y457-Y494 HydrophobicContact CD1-CD2 3.98Å; Y457-Y494 AromaticContact CD1-CE2 3.81Å; Y457-Y494 HydrophobicContact CD1-CE2 3.81Å; Y457-Y494 AromaticContact CD2-CD2 3.91Å; Y457-Y494 HydrophobicContact CD2-CD2 3.91Å; Y457-Y494 AromaticContact CD2-CE2 3.8Å; Y457-Y494 HydrophobicContact CD2-CE2 3.8Å; Y457-Y494 AromaticContact CE1-CD2 3.87Å; Y457-Y494 HydrophobicContact CE1-CD2 3.87Å; Y457-Y494 HydrophobicContact CE1-CE2 4.19Å; Y457-Y494 AromaticContact CE2-CD2 3.79Å; Y457-Y494 HydrophobicContact CE2-CD2 3.79Å; Y457-Y494 HydrophobicContact CE2-CE2 4.18Å; Y457-Y494 HydrophobicContact CG-CD2 4Å; Y457-Y494 AromaticContact CG-CE2 3.6Å; Y457-Y494 HydrophobicContact CG-CE2 3.6Å; Y457-Y494 AromaticContact CZ-CD2 3.76Å; P490-Y494 WeakPolarHBondContact O-CB 3.35Å; P490-Y494 PolarHBondContact O-N 3.03Å; Y494-V497 PolarHBondContact O-N 2.85Å; Y494-I498 HydrophobicContact CD1-CD1 4.25Å; Y494-I498 HydrophobicContact CD2-CD1 4.08Å; Y494-I498 HydrophobicContact CE1-CD1 3.7Å; Y494-I498 HydrophobicContact CE2-CD1 3.5Å; Y494-I498 HydrophobicContact CG-CD1 4.43Å; Y494-I498 PolarHBondContact O-N 3.09Å; Y494-I498 VanDerWaalsContact O-N 3.08Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.02Å
495R85.6Confident87.7Confident142 Ų14260.2 Ų60.254%0.53632%0.324SS..Hα-helixtrans-60.6-45.9176.5-74.2-170.8-55.3-79.3-2.3112.2A491 T492 I493 S499A491-R495 VanDerWaalsContact C-NH1 3.35Å; A491-R495 WeakPolarHBondContact O-CG 3.47Å; A491-R495 PolarHBondContact O-N 3.26Å; A491-R495 VanDerWaalsContact O-N 3.1Å; A491-R495 PolarHBondContact O-NH1 3.36Å; T492-R495 PolarHBondContact O-N 3.44Å; T492-R495 PolarHBondContact OG1-NH2 3.3Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.17Å; R495-S499 WeakPolarHBondContact O-CB 3.31Å; R495-S499 PolarHBondContact O-N 2.74Å; R495-S499 PolarHBondContact O-OG 2.77Å; R495-S499 VanDerWaalsContact O-OG 3.14Å
496K90.5Very high87.8Confident49 Ų4957.7 Ų57.721%0.21330%0.303CS..Hα-helixtrans-60.8-46.3177-79.7-165.2178-161.20112.4Y484 E486 T492 I493 S499 G500 V501Y484-K496 HydrophobicContact CD1-CD 3.87Å; Y484-K496 HydrophobicContact CE1-CB 3.94Å; Y484-K496 HydrophobicContact CE1-CD 3.8Å; E486-K496 IonicContact OE1-NZ 3.84Å; E486-K496 PolarHBondContact OE1-NZ 3Å; T492-K496 PolarHBondContact O-N 3.13Å; T492-K496 VanDerWaalsContact O-N 3.08Å; I493-K496 WeakPolarHBondContact O-CB 3.39Å; I493-K496 PolarHBondContact O-N 3.06Å; I493-K496 VanDerWaalsContact O-N 3.08Å; K496-S499 CarbonylContact O-C 3.47Å; K496-S499 PolarHBondContact O-N 2.96Å; K496-S499 PolarHBondContact O-OG 2.99Å; K496-G500 PolarHBondContact O-N 3.4Å; K496-G500 VanDerWaalsContact O-N 3.15Å; K496-V501 HydrophobicContact CB-CB 4.03Å; K496-V501 HydrophobicContact CB-CG1 4.32Å; K496-V501 HydrophobicContact CD-CB 4.46Å; K496-V501 HydrophobicContact CD-CG1 3.85Å; K496-V501 HydrophobicContact CG-CB 4.09Å; K496-V501 HydrophobicContact CG-CG1 3.94Å; K496-V501 PolarHBondContact O-N 3.05Å
497V87.4Confident87.9Confident6 Ų659 Ų594%0.03632%0.32CS..Hα-helixtrans-62.1-46.7-177.21700000110.9P454 Y468 Y484 I493 Y494 G500P454-V497 HydrophobicContact CB-CG1 4.1Å; P454-V497 HydrophobicContact CG-CG1 4.31Å; Y468-V497 WeakPolarHBondContact OH-CG1 3.42Å; Y468-V497 WeakPolarHBondContact OH-CG2 3.2Å; Y484-V497 HydrophobicContact CD2-CG2 4.44Å; Y484-V497 HydrophobicContact CE2-CG2 3.55Å; I493-V497 HydrophobicContact CG2-CG2 4.14Å; I493-V497 WeakPolarHBondContact O-CG2 3.43Å; I493-V497 PolarHBondContact O-N 3.11Å; Y494-V497 PolarHBondContact O-N 2.85Å; V497-G500 PolarHBondContact O-N 3.36Å
498I85.4Confident88Confident79 Ų7963.9 Ų63.941%0.40534%0.335SS..Hα-helixtrans-68.3-37.9177.4-70178.2000111.6P454 Y494 G500P454-I498 HydrophobicContact CB-CG1 3.97Å; Y494-I498 HydrophobicContact CD1-CD1 4.25Å; Y494-I498 HydrophobicContact CD2-CD1 4.08Å; Y494-I498 HydrophobicContact CE1-CD1 3.7Å; Y494-I498 HydrophobicContact CE2-CD1 3.5Å; Y494-I498 HydrophobicContact CG-CD1 4.43Å; Y494-I498 PolarHBondContact O-N 3.09Å; Y494-I498 VanDerWaalsContact O-N 3.08Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.02Å; I498-G500 PolarHBondContact O-N 2.55Å
499S86.9Confident88.3Confident79 Ų7955.5 Ų55.555%0.55229%0.294SS*.THydrogen-bonded Turntrans-79.312.5176.180.80000114.2R495 K496 V501R495-S499 WeakPolarHBondContact O-CB 3.31Å; R495-S499 PolarHBondContact O-N 2.74Å; R495-S499 PolarHBondContact O-OG 2.77Å; R495-S499 VanDerWaalsContact O-OG 3.14Å; K496-S499 CarbonylContact O-C 3.47Å; K496-S499 PolarHBondContact O-N 2.96Å; K496-S499 PolarHBondContact O-OG 2.99Å; S499-V501 PolarHBondContact O-N 3.33Å; S499-V501 VanDerWaalsContact O-N 3.1Å; S499-V501 WeakPolarHBondContact OG-CG2 3.48Å
500G87Confident88.7Confident31 Ų3154.2 Ų54.232%0.3229%0.29SS..THydrogen-bonded Turntrans65.110.7179.300000116.2K496 V497 I498 K502K496-G500 PolarHBondContact O-N 3.4Å; K496-G500 VanDerWaalsContact O-N 3.15Å; V497-G500 PolarHBondContact O-N 3.36Å; I498-G500 PolarHBondContact O-N 2.55Å; G500-K502 PolarHBondContact O-N 3.31Å
501V92.3Very high88.9Confident67 Ų6756.2 Ų56.241%0.40631%0.311SS..  trans-77.6106.3178.5175.20000108.6Y484 K496 S499Y484-V501 VanDerWaalsContact CE1-O 3.3Å; Y484-V501 WeakPolarHBondContact CE1-O 3.48Å; Y484-V501 PolarHBondContact OH-O 3.07Å; K496-V501 HydrophobicContact CB-CB 4.03Å; K496-V501 HydrophobicContact CB-CG1 4.32Å; K496-V501 HydrophobicContact CD-CB 4.46Å; K496-V501 HydrophobicContact CD-CG1 3.85Å; K496-V501 HydrophobicContact CG-CB 4.09Å; K496-V501 HydrophobicContact CG-CG1 3.94Å; K496-V501 PolarHBondContact O-N 3.05Å; S499-V501 PolarHBondContact O-N 3.33Å; S499-V501 VanDerWaalsContact O-N 3.1Å; S499-V501 WeakPolarHBondContact OG-CG2 3.48Å
502K94.5Very high89Confident76 Ų7660 Ų6033%0.3332%0.32SS..  trans-65.3158.3179.4-67167.6-174.3163.20111.5G500 F506 D521 I524G500-K502 PolarHBondContact O-N 3.31Å; K502-F506 HydrophobicContact CB-CB 4.28Å; K502-F506 HydrophobicContact CB-CD1 4.28Å; K502-F506 HydrophobicContact CB-CG 4.29Å; K502-F506 HydrophobicContact CD-CD1 3.95Å; K502-F506 HydrophobicContact CD-CE1 3.79Å; K502-F506 HydrophobicContact CD-CG 4.39Å; K502-F506 HydrophobicContact CD-CZ 4.1Å; K502-D521 IonicContact NZ-OD1 3.96Å; K502-D521 PolarHBondContact NZ-OD1 3Å; K502-I524 HydrophobicContact CB-CD1 4.41Å; K502-I524 HydrophobicContact CD-CD1 4.25Å; K502-I524 HydrophobicContact CG-CD1 3.94Å
503P94Very high88.7Confident3 Ų361.9 Ų61.92%0.01932%0.323CS..  trans-55.5147.8174.6-26.235.2000112.5M472 L475 P483 Y484 C505 F506M472-P503 HydrophobicContact CE-CG 4.03Å; M472-P503 HydrophobicContact SD-CG 4.06Å; L475-P503 HydrophobicContact CD2-CB 4Å; L475-P503 HydrophobicContact CD2-CG 3.77Å; P483-P503 HydrophobicContact CB-CG 4.23Å; Y484-P503 HydrophobicContact CD1-CB 4.16Å; Y484-P503 HydrophobicContact CD1-CG 4.08Å; Y484-P503 HydrophobicContact CD2-CG 3.89Å; Y484-P503 HydrophobicContact CE1-CB 4.26Å; Y484-P503 HydrophobicContact CE1-CG 3.87Å; Y484-P503 HydrophobicContact CE2-CG 3.67Å; Y484-P503 HydrophobicContact CG-CB 4.35Å; Y484-P503 HydrophobicContact CG-CG 4.1Å; P503-C505 PolarHBondContact O-N 3.08Å; P503-F506 WeakPolarHBondContact O-CB 3.15Å; P503-F506 PolarHBondContact O-N 3.1Å
504E93.6Very high88.6Confident89 Ų8965.6 Ų65.642%0.41635%0.348SS..G310 helixtrans-58.7-37.9177.3-162.4-164.6131.700111.9E486 F506 S507 R508E486-E504 HydrophobicContact CG-CB 4.16Å; E486-E504 PolarHBondContact OE1-N 3.15Å; E504-F506 PolarHBondContact O-N 2.83Å; E504-F506 VanDerWaalsContact O-N 3.14Å; E504-S507 WeakPolarHBondContact O-CB 3.48Å; E504-S507 PolarHBondContact O-N 3.39Å; E504-S507 PolarHBondContact O-OG 3.14Å; E504-R508 IonicContact OE1-CZ 2.78Å; E504-R508 IonicContact OE1-NE 3.12Å; E504-R508 IonicContact OE1-NH2 2.65Å; E504-R508 PolarHBondContact OE1-NH2 2.89Å
505C93.3Very high88.8Confident2 Ų263.1 Ų63.11%0.01434%0.34CS..G310 helixtrans-65.1-13.4177.8640000114.4T479 E481 P503 S507 R508T479-C505 HydrophobicContact CG2-CB 4.1Å; T479-C505 WeakPolarHBondContact CG2-O 3.37Å; E481-C505 HydrophobicContact CB-CB 4.24Å; P503-C505 PolarHBondContact O-N 3.08Å; C505-S507 PolarHBondContact O-N 3.28Å; C505-R508 WeakPolarHBondContact O-CB 3.27Å; C505-R508 PolarHBondContact O-N 2.72Å
506F94.6Very high89.1Confident21 Ų2156.4 Ų56.49%0.09231%0.314CS..G310 helixtrans-63-30.1168.7-177.7-97.8000112L475 K502 P503 E504 R508 I509 R517 I520 D521 I524L475-F506 HydrophobicContact CD1-CB 4.48Å; K502-F506 HydrophobicContact CB-CB 4.28Å; K502-F506 HydrophobicContact CB-CD1 4.28Å; K502-F506 HydrophobicContact CB-CG 4.29Å; K502-F506 HydrophobicContact CD-CD1 3.95Å; K502-F506 HydrophobicContact CD-CE1 3.79Å; K502-F506 HydrophobicContact CD-CG 4.39Å; K502-F506 HydrophobicContact CD-CZ 4.1Å; P503-F506 WeakPolarHBondContact O-CB 3.15Å; P503-F506 PolarHBondContact O-N 3.1Å; E504-F506 PolarHBondContact O-N 2.83Å; E504-F506 VanDerWaalsContact O-N 3.14Å; F506-R508 VanDerWaalsContact C-N 3.25Å; F506-R508 PolarHBondContact O-N 3.23Å; F506-I509 HydrophobicContact CD2-CD1 3.67Å; F506-I509 HydrophobicContact CE2-CD1 4.01Å; F506-I509 HydrophobicContact CG-CD1 4.23Å; F506-I509 WeakPolarHBondContact O-CD1 3.44Å; F506-I509 WeakPolarHBondContact O-CG1 3.3Å; F506-R517 HydrophobicContact CE1-CG 4.44Å; F506-R517 HydrophobicContact CE2-CG 4.28Å; F506-R517 HydrophobicContact CZ-CG 3.94Å; F506-I520 HydrophobicContact CD2-CG2 3.85Å; F506-I520 HydrophobicContact CE2-CB 4.2Å; F506-I520 HydrophobicContact CE2-CG2 3.81Å; F506-D521 HydrophobicContact CE2-CB 4.4Å; F506-D521 HydrophobicContact CZ-CB 4.09Å; F506-I524 HydrophobicContact CD2-CD1 4.04Å; F506-I524 HydrophobicContact CE2-CD1 4.27Å
507S92.9Very high89.2Confident89 Ų8960.7 Ų60.762%0.62233%0.329SS*.G310 helixtrans-72.6-19.6172.871.80000113.2E504 C505E504-S507 WeakPolarHBondContact O-CB 3.48Å; E504-S507 PolarHBondContact O-N 3.39Å; E504-S507 PolarHBondContact O-OG 3.14Å; C505-S507 PolarHBondContact O-N 3.28Å
508R91.5Very high89.4Confident118 Ų11862.9 Ų62.945%0.44534%0.339SS..G310 helixtrans-94.14.5-175.3-53.7177.7-175.8-174.6-2.3113.4E481 E504 C505 F506E481-R508 IonicContact OE1-NH1 3.83Å; E481-R508 PolarHBondContact OE1-NH1 2.9Å; E481-R508 WeakPolarHBondContact OE2-CD 3.28Å; E481-R508 IonicContact OE2-CZ 2.73Å; E481-R508 IonicContact OE2-NE 2.7Å; E481-R508 IonicContact OE2-NH1 3.54Å; E481-R508 PolarHBondContact OE2-NH1 3.1Å; E504-R508 IonicContact OE1-CZ 2.78Å; E504-R508 IonicContact OE1-NE 3.12Å; E504-R508 IonicContact OE1-NH2 2.65Å; E504-R508 PolarHBondContact OE1-NH2 2.89Å; C505-R508 WeakPolarHBondContact O-CB 3.27Å; C505-R508 PolarHBondContact O-N 2.72Å; F506-R508 VanDerWaalsContact C-N 3.25Å; F506-R508 PolarHBondContact O-N 3.23Å
509I91.7Very high89.8Confident13 Ų1359.1 Ų59.17%0.06732%0.32CS..SBendtrans-60.2125.2173.1-64.4166.6000108.5L475 V478 T479 F506 A511 R517 I520L475-I509 HydrophobicContact CD1-CD1 3.93Å; L475-I509 HydrophobicContact CD1-CG1 3.89Å; V478-I509 HydrophobicContact CG1-CG2 4.11Å; T479-I509 HydrophobicContact CG2-CG1 4.46Å; F506-I509 HydrophobicContact CD2-CD1 3.67Å; F506-I509 HydrophobicContact CE2-CD1 4.01Å; F506-I509 HydrophobicContact CG-CD1 4.23Å; F506-I509 WeakPolarHBondContact O-CD1 3.44Å; F506-I509 WeakPolarHBondContact O-CG1 3.3Å; I509-A511 PolarHBondContact O-N 3.37Å; I509-R517 HydrophobicContact CD1-CB 4.1Å; I509-R517 HydrophobicContact CD1-CG 4.02Å; I509-R517 HydrophobicContact CG2-CB 4.01Å; I509-I520 HydrophobicContact CD1-CD1 3.67Å; I509-I520 HydrophobicContact CG1-CD1 4.39Å
510P87.9Confident90.2Very high42 Ų4255.4 Ų55.427%0.27329%0.294SS..  trans-61.3126.9-172.7-24.333.8000112.8Q512 Y513P510-Q512 VanDerWaalsContact CB-CD 3.45Å; P510-Q512 PolarHBondContact O-N 3.1Å; P510-Y513 HydrophobicContact CB-CD2 4.3Å; P510-Y513 PolarHBondContact O-N 3.41Å
511A84.4Confident90.6Very high93 Ų9355.7 Ų55.777%0.76929%0.288SS*.THydrogen-bonded Turntrans-60.4-17.8-171.200000114.9I509 Y513I509-A511 PolarHBondContact O-N 3.37Å; A511-Y513 PolarHBondContact O-N 3.19Å
512Q79.9Confident90.6Very high128 Ų12853.6 Ų53.660%0.59827%0.273SS*.THydrogen-bonded Turntrans-73.2-4.6172.970.9-86.724.400114.7P510 P514P510-Q512 VanDerWaalsContact CB-CD 3.45Å; P510-Q512 PolarHBondContact O-N 3.1Å; Q512-P514 VanDerWaalsContact C-CD 3.47Å
513Y82.9Confident90.7Very high75 Ų7550 Ų5029%0.29426%0.257SS..  trans-127.859.7177.3-54.4-56.8000112.1I383 P510 A511 E515 I516I383-Y513 HydrophobicContact CD1-CD1 4.46Å; I383-Y513 HydrophobicContact CD1-CE1 4.3Å; I383-Y513 HydrophobicContact CG1-CE1 4.11Å; P510-Y513 HydrophobicContact CB-CD2 4.3Å; P510-Y513 PolarHBondContact O-N 3.41Å; A511-Y513 PolarHBondContact O-N 3.19Å; Y513-E515 PolarHBondContact O-N 2.92Å; Y513-I516 HydrophobicContact CD2-CD1 4.23Å; Y513-I516 HydrophobicContact CG-CD1 3.9Å; Y513-I516 WeakPolarHBondContact O-CB 3.34Å; Y513-I516 PolarHBondContact O-N 3.5Å; Y513-I516 VanDerWaalsContact O-N 3.09Å
514P84Confident90.7Very high82 Ų8250.3 Ų50.353%0.53226%0.259SS..Hα-helixtrans-59-32.1-178.426.9-35.2000112.4Q512 I516 R517 E518Q512-P514 VanDerWaalsContact C-CD 3.47Å; P514-I516 VanDerWaalsContact C-N 3.26Å; P514-I516 PolarHBondContact O-N 2.61Å; P514-R517 WeakPolarHBondContact O-CB 3.39Å; P514-R517 PolarHBondContact O-N 3.46Å; P514-R517 VanDerWaalsContact O-N 3.14Å; P514-E518 PolarHBondContact O-N 2.79Å
515E84.6Confident90.7Very high41 Ų4148 Ų4819%0.19225%0.246CC..Hα-helixtrans-65.6-28.6178.875.2-82.5-157.500112.9Y513 I519 F542 R552Y513-E515 PolarHBondContact O-N 2.92Å; E515-I519 WeakPolarHBondContact O-CB 3.24Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.08Å; E515-I519 PolarHBondContact O-N 2.96Å; E515-F542 HydrophobicContact CG-CB 4.23Å; E515-F542 HydrophobicContact CG-CD2 3.37Å; E515-F542 HydrophobicContact CG-CE2 4.04Å; E515-F542 HydrophobicContact CG-CG 4.09Å; E515-R552 IonicContact OE1-NH2 3.91Å
516I91.8Very high90.4Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..Hα-helixtrans-69.3-43174-63.8-178.3000110.3I383 L386 L474 V478 Y513 P514 E518 I519 I520 F542I383-I516 HydrophobicContact CD1-CD1 3.82Å; L386-I516 HydrophobicContact CD2-CD1 3.96Å; L474-I516 HydrophobicContact CD1-CG2 4.33Å; L474-I516 HydrophobicContact CG-CG2 4.39Å; V478-I516 HydrophobicContact CB-CG2 4.45Å; V478-I516 HydrophobicContact CG1-CG2 4.19Å; V478-I516 HydrophobicContact CG2-CD1 4.33Å; V478-I516 HydrophobicContact CG2-CG2 3.64Å; Y513-I516 HydrophobicContact CD2-CD1 4.23Å; Y513-I516 HydrophobicContact CG-CD1 3.9Å; Y513-I516 WeakPolarHBondContact O-CB 3.34Å; Y513-I516 PolarHBondContact O-N 3.5Å; Y513-I516 VanDerWaalsContact O-N 3.09Å; P514-I516 VanDerWaalsContact C-N 3.26Å; P514-I516 PolarHBondContact O-N 2.61Å; I516-E518 VanDerWaalsContact C-N 3.3Å; I516-E518 PolarHBondContact O-N 3.36Å; I516-I519 PolarHBondContact O-N 3.16Å; I516-I520 HydrophobicContact CG2-CD1 3.81Å; I516-I520 HydrophobicContact CG2-CG1 4.43Å; I516-I520 VanDerWaalsContact O-CG1 3.31Å; I516-I520 WeakPolarHBondContact O-CG1 3.44Å; I516-I520 PolarHBondContact O-N 3.47Å; I516-F542 HydrophobicContact CD1-CE2 3.76Å; I516-F542 HydrophobicContact CD1-CZ 3.51Å; I516-F542 HydrophobicContact CG1-CD2 4.23Å; I516-F542 HydrophobicContact CG1-CE1 4.1Å; I516-F542 HydrophobicContact CG1-CE2 3.41Å; I516-F542 VanDerWaalsContact CG1-CE2 3.41Å; I516-F542 HydrophobicContact CG1-CZ 3.35Å
517R92.2Very high89.9Confident140 Ų14054.8 Ų54.853%0.52828%0.277SS..Hα-helixtrans-60.7-42.7177-176.5177.9178.5-154.3-1.4110.9F506 I509 P514 I520 D521F506-R517 HydrophobicContact CE1-CG 4.44Å; F506-R517 HydrophobicContact CE2-CG 4.28Å; F506-R517 HydrophobicContact CZ-CG 3.94Å; I509-R517 HydrophobicContact CD1-CB 4.1Å; I509-R517 HydrophobicContact CD1-CG 4.02Å; I509-R517 HydrophobicContact CG2-CB 4.01Å; P514-R517 WeakPolarHBondContact O-CB 3.39Å; P514-R517 PolarHBondContact O-N 3.46Å; P514-R517 VanDerWaalsContact O-N 3.14Å; R517-I520 PolarHBondContact O-N 3.13Å; R517-D521 WeakPolarHBondContact O-CB 3.34Å; R517-D521 PolarHBondContact O-N 3.13Å
518E91.4Very high89.6Confident51 Ų5155 Ų5524%0.23826%0.264CS..Hα-helixtrans-64.1-45.7176.4-151.2-151.1107.400112.1P514 I516 I520 D521 R522 R558P514-E518 PolarHBondContact O-N 2.79Å; I516-E518 VanDerWaalsContact C-N 3.3Å; I516-E518 PolarHBondContact O-N 3.36Å; E518-I520 PolarHBondContact O-N 3.45Å; E518-D521 WeakPolarHBondContact O-CB 3.14Å; E518-D521 PolarHBondContact O-N 3.09Å; E518-R522 WeakPolarHBondContact O-CG 3.27Å; E518-R522 PolarHBondContact O-N 3.09Å; E518-R522 IonicContact OE1-CZ 3.75Å; E518-R522 IonicContact OE1-NH1 3.27Å; E518-R522 PolarHBondContact OE1-NH1 3.49Å; E518-R558 IonicContact OE1-CZ 3.68Å; E518-R558 IonicContact OE1-NH2 2.74Å; E518-R558 PolarHBondContact OE1-NH2 2.69Å; E518-R558 IonicContact OE2-CZ 2.68Å; E518-R558 VanDerWaalsContact OE2-CZ 3.29Å; E518-R558 IonicContact OE2-NE 3.27Å; E518-R558 PolarHBondContact OE2-NE 2.79Å; E518-R558 IonicContact OE2-NH2 3.93Å; E518-R558 PolarHBondContact OE2-NH2 2.66Å
519I93.9Very high89.4Confident1 Ų155.8 Ų55.81%0.00527%0.273CS..Hα-helixtrans-61.6-44.5176.7-71.7162.3000111.6L474 E515 I516 D521 C523 L537 F542 F543L474-I519 HydrophobicContact CD2-CB 4.49Å; L474-I519 HydrophobicContact CD2-CG2 3.71Å; E515-I519 WeakPolarHBondContact O-CB 3.24Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.08Å; E515-I519 PolarHBondContact O-N 2.96Å; I516-I519 PolarHBondContact O-N 3.16Å; I519-D521 VanDerWaalsContact C-N 3.34Å; I519-C523 PolarHBondContact O-N 3.43Å; I519-C523 PolarHBondContact O-SG 3.14Å; I519-L537 HydrophobicContact CG2-CD2 4.16Å; I519-F542 HydrophobicContact CD1-CB 3.46Å; I519-F542 VanDerWaalsContact CD1-CB 3.46Å; I519-F542 HydrophobicContact CD1-CD1 3.68Å; I519-F542 HydrophobicContact CD1-CG 3.7Å; I519-F543 HydrophobicContact CD1-CE2 3.96Å; I519-F543 HydrophobicContact CD1-CZ 4.34Å; I519-F543 HydrophobicContact CG2-CE2 3.82Å; I519-F543 HydrophobicContact CG2-CZ 4.03Å
520I96.1Very high89.2Confident0 Ų056.6 Ų56.60%028%0.276CS..Hα-helixtrans-61.2-46.2175.8-66.9164.6000109.6L474 L475 F506 I509 I516 R517 E518 R522 C523 I524L474-I520 HydrophobicContact CB-CG1 4.15Å; L474-I520 HydrophobicContact CD2-CD1 4.44Å; L474-I520 HydrophobicContact CD2-CG1 3.68Å; L474-I520 HydrophobicContact CG-CD1 3.98Å; L474-I520 HydrophobicContact CG-CG1 3.66Å; L475-I520 HydrophobicContact CB-CD1 4.14Å; L475-I520 HydrophobicContact CB-CG2 4.36Å; L475-I520 HydrophobicContact CD1-CD1 4.24Å; F506-I520 HydrophobicContact CD2-CG2 3.85Å; F506-I520 HydrophobicContact CE2-CB 4.2Å; F506-I520 HydrophobicContact CE2-CG2 3.81Å; I509-I520 HydrophobicContact CD1-CD1 3.67Å; I509-I520 HydrophobicContact CG1-CD1 4.39Å; I516-I520 HydrophobicContact CG2-CD1 3.81Å; I516-I520 HydrophobicContact CG2-CG1 4.43Å; I516-I520 VanDerWaalsContact O-CG1 3.31Å; I516-I520 WeakPolarHBondContact O-CG1 3.44Å; I516-I520 PolarHBondContact O-N 3.47Å; R517-I520 PolarHBondContact O-N 3.13Å; E518-I520 PolarHBondContact O-N 3.45Å; I520-R522 PolarHBondContact O-N 2.75Å; I520-C523 WeakPolarHBondContact O-CA 3.38Å; I520-C523 WeakPolarHBondContact O-CB 3.22Å; I520-C523 PolarHBondContact O-N 3.09Å; I520-I524 HydrophobicContact CG2-CD1 3.95Å; I520-I524 HydrophobicContact CG2-CG1 4.32Å; I520-I524 HydrophobicContact CG2-CG2 4.23Å; I520-I524 WeakPolarHBondContact O-CG1 3.33Å; I520-I524 PolarHBondContact O-N 3.24Å
521D94.2Very high89.4Confident38 Ų3855.3 Ų55.320%0.20327%0.266CS..Hα-helixtrans-52.8-54179-168.392.4000111.8K502 F506 R517 E518 I519 C523 I524 R525K502-D521 IonicContact NZ-OD1 3.96Å; K502-D521 PolarHBondContact NZ-OD1 3Å; F506-D521 HydrophobicContact CE2-CB 4.4Å; F506-D521 HydrophobicContact CZ-CB 4.09Å; R517-D521 WeakPolarHBondContact O-CB 3.34Å; R517-D521 PolarHBondContact O-N 3.13Å; E518-D521 WeakPolarHBondContact O-CB 3.14Å; E518-D521 PolarHBondContact O-N 3.09Å; I519-D521 VanDerWaalsContact C-N 3.34Å; D521-C523 PolarHBondContact O-N 3Å; D521-C523 VanDerWaalsContact O-N 3.12Å; D521-I524 PolarHBondContact O-N 3.01Å; D521-R525 WeakPolarHBondContact O-CG 3.4Å; D521-R525 PolarHBondContact O-N 3.4Å; D521-R525 IonicContact OD2-NE 2.75Å; D521-R525 IonicContact OD2-NH2 2.76Å
522R93.6Very high89.8Confident23 Ų2351.3 Ų51.39%0.08723%0.232CC..Hα-helixtrans-67.2-9.2179-56.4-178.1-28.9-121.3-2.1113.6E518 I520 R531 S532 D540E518-R522 WeakPolarHBondContact O-CG 3.27Å; E518-R522 PolarHBondContact O-N 3.09Å; E518-R522 IonicContact OE1-CZ 3.75Å; E518-R522 IonicContact OE1-NH1 3.27Å; E518-R522 PolarHBondContact OE1-NH1 3.49Å; I520-R522 PolarHBondContact O-N 2.75Å; R522-R531 CarbonylContact O-C 3.58Å; R522-R531 VanDerWaalsContact O-CA 3.28Å; R522-R531 WeakPolarHBondContact O-CA 3.49Å; R522-S532 WeakPolarHBondContact CB-OG 3.48Å; R522-S532 PolarHBondContact NE-OG 2.95Å; R522-S532 PolarHBondContact O-N 3.36Å; R522-D540 IonicContact CZ-OD2 2.7Å; R522-D540 IonicContact NH1-OD2 2.95Å; R522-D540 PolarHBondContact NH1-OD2 3.09Å; R522-D540 IonicContact NH2-OD2 2.66Å; R522-D540 PolarHBondContact NH2-OD2 3.05Å
523C96.3Very high90.4Very high0 Ų048.4 Ų48.40%022%0.224CC..Hα-helixtrans-94.7-37.2172.1-65.90000112.4V467 Y468 I519 I520 D521 R531V467-C523 HydrophobicContact CG1-CB 4.17Å; Y468-C523 WeakPolarHBondContact CA-O 3.48Å; I519-C523 PolarHBondContact O-N 3.43Å; I519-C523 PolarHBondContact O-SG 3.14Å; I520-C523 WeakPolarHBondContact O-CA 3.38Å; I520-C523 WeakPolarHBondContact O-CB 3.22Å; I520-C523 PolarHBondContact O-N 3.09Å; D521-C523 PolarHBondContact O-N 3Å; D521-C523 VanDerWaalsContact O-N 3.12Å; C523-R531 WeakPolarHBondContact O-CD 3.39Å
524I94.6Very high91Very high10 Ų1045.3 Ų45.35%0.05121%0.212CC..SBendtrans-97.718.9-172.273.1174.3000114.6Y468 M472 K502 F506 I520 D521Y468-I524 HydrophobicContact CD2-CB 4.22Å; Y468-I524 HydrophobicContact CE2-CB 4.09Å; M472-I524 HydrophobicContact CE-CB 4.16Å; M472-I524 HydrophobicContact CE-CD1 4.34Å; M472-I524 HydrophobicContact CE-CG2 3.92Å; M472-I524 HydrophobicContact CG-CG2 4.34Å; M472-I524 HydrophobicContact SD-CG2 4.09Å; K502-I524 HydrophobicContact CB-CD1 4.41Å; K502-I524 HydrophobicContact CD-CD1 4.25Å; K502-I524 HydrophobicContact CG-CD1 3.94Å; F506-I524 HydrophobicContact CD2-CD1 4.04Å; F506-I524 HydrophobicContact CE2-CD1 4.27Å; I520-I524 HydrophobicContact CG2-CD1 3.95Å; I520-I524 HydrophobicContact CG2-CG1 4.32Å; I520-I524 HydrophobicContact CG2-CG2 4.23Å; I520-I524 WeakPolarHBondContact O-CG1 3.33Å; I520-I524 PolarHBondContact O-N 3.24Å; D521-I524 PolarHBondContact O-N 3.01Å
525R92.7Very high91.4Very high41 Ų4148.5 Ų48.516%0.15522%0.218CC..  trans-64.9146.3176-59.3-167.9177162.9-19.1111.6D521 E530 R531 H641D521-R525 WeakPolarHBondContact O-CG 3.4Å; D521-R525 PolarHBondContact O-N 3.4Å; D521-R525 IonicContact OD2-NE 2.75Å; D521-R525 IonicContact OD2-NH2 2.76Å; R525-E530 HydrophobicContact CB-CB 4.33Å; R525-E530 WeakPolarHBondContact CD-O 3.16Å; R525-E530 PolarHBondContact NH1-O 2.99Å; R525-R531 HydrophobicContact CB-CG 4.2Å; R525-R531 PolarHBondContact O-NE 2.91Å; R525-R531 PolarHBondContact O-NH2 3.31Å; R525-H641 PolarHBondContact NH1-CD2 3.05Å; R525-H641 VanDerWaalsContact NH1-CD2 3.34Å; R525-H641 PolarHBondContact NH1-CE1 2.69Å; R525-H641 VanDerWaalsContact NH1-CE1 3.34Å; R525-H641 PolarHBondContact NH1-NE2 2.87Å
526V87.2Confident91.7Very high55 Ų5550.1 Ų50.133%0.33323%0.225SC..SBendtrans-61.6-57.9-175.6-175.60000110.8P454 R531P454-V526 HydrophobicContact CG-CG1 4.16Å; P454-V526 WeakPolarHBondContact CG-O 3.41Å; V526-R531 PolarHBondContact O-NH2 2.73Å
527R84.3Confident91.7Very high109 Ų10950 Ų5041%0.41123%0.225SC..SBendtrans-71.8133.6176.4-52.6-176.8-166.676.54109.6E529 E530 R648R527-E529 VanDerWaalsContact C-N 3.32Å; R527-E529 PolarHBondContact O-N 3.06Å; R527-E530 HydrophobicContact CB-CB 4.4Å; R527-E530 HydrophobicContact CB-CG 4.07Å; R527-E530 WeakPolarHBondContact CB-OE2 3.47Å; R527-E530 IonicContact CZ-OE1 2.72Å; R527-E530 IonicContact CZ-OE2 2.71Å; R527-E530 IonicContact NE-OE1 3.29Å; R527-E530 IonicContact NH1-OE1 2.79Å; R527-E530 PolarHBondContact NH1-OE1 2.88Å; R527-E530 VanDerWaalsContact NH1-OE1 3.07Å; R527-E530 IonicContact NH1-OE2 3.76Å; R527-E530 PolarHBondContact NH1-OE2 3.48Å; R527-E530 PolarHBondContact O-N 3.04Å; R527-R648 VanDerWaalsContact CZ-CZ 3.49Å; R527-R648 VanDerWaalsContact NH1-NH1 3.13Å
528R86.9Confident91.7Very high95 Ų9545.8 Ų45.836%0.35821%0.212SC..G310 helixtrans-66.8-33.7-179.556.5170-175-168.5-15.2112.8D462 S464 E530 R531D462-R528 WeakPolarHBondContact OD2-CD 3.49Å; D462-R528 IonicContact OD2-CZ 2.75Å; D462-R528 IonicContact OD2-NE 3.08Å; D462-R528 IonicContact OD2-NH1 3.05Å; D462-R528 PolarHBondContact OD2-NH1 3.02Å; S464-R528 VanDerWaalsContact OG-CB 3.24Å; S464-R528 WeakPolarHBondContact OG-CB 3.22Å; R528-E530 PolarHBondContact O-N 3.17Å; R528-R531 WeakPolarHBondContact O-CB 3.24Å; R528-R531 PolarHBondContact O-N 3.26Å; R528-R531 VanDerWaalsContact O-N 3.13Å
529E86.6Confident91.3Very high134 Ų13447 Ų4763%0.62622%0.223SC*.G310 helixtrans-66.8-23.3-178.8-6075.9-166.100112R527R527-E529 VanDerWaalsContact C-N 3.32Å; R527-E529 PolarHBondContact O-N 3.06Å
530E87.6Confident90.8Very high30 Ų3048.2 Ų48.214%0.1423%0.23CC..G310 helixtrans-86.9-6.8179.3-65.7174.4163.200112.3R525 R527 R528 R648R525-E530 HydrophobicContact CB-CB 4.33Å; R525-E530 WeakPolarHBondContact CD-O 3.16Å; R525-E530 PolarHBondContact NH1-O 2.99Å; R527-E530 HydrophobicContact CB-CB 4.4Å; R527-E530 HydrophobicContact CB-CG 4.07Å; R527-E530 WeakPolarHBondContact CB-OE2 3.47Å; R527-E530 IonicContact CZ-OE1 2.72Å; R527-E530 IonicContact CZ-OE2 2.71Å; R527-E530 IonicContact NE-OE1 3.29Å; R527-E530 IonicContact NH1-OE1 2.79Å; R527-E530 PolarHBondContact NH1-OE1 2.88Å; R527-E530 VanDerWaalsContact NH1-OE1 3.07Å; R527-E530 IonicContact NH1-OE2 3.76Å; R527-E530 PolarHBondContact NH1-OE2 3.48Å; R527-E530 PolarHBondContact O-N 3.04Å; R528-E530 PolarHBondContact O-N 3.17Å; E530-R648 IonicContact OE1-CZ 3.07Å; E530-R648 IonicContact OE1-NH1 3.45Å; E530-R648 PolarHBondContact OE1-NH1 3.32Å; E530-R648 IonicContact OE1-NH2 2.59Å; E530-R648 PolarHBondContact OE1-NH2 2.65Å
531R93.3Very high90Very high14 Ų1449.4 Ų49.45%0.05324%0.236CC..SBendtrans-84.5148.5-176.5-58.4177.8-165.1147.712.8112.8E455 S464 V467 R522 C523 R525 V526 R528 T533E455-R531 IonicContact OE1-CZ 3.77Å; E455-R531 IonicContact OE1-NH1 2.75Å; E455-R531 PolarHBondContact OE1-NH1 3.37Å; E455-R531 IonicContact OE1-NH2 3.28Å; E455-R531 PolarHBondContact OE1-NH2 2.86Å; E455-R531 IonicContact OE2-CZ 2.69Å; E455-R531 IonicContact OE2-NH1 2.81Å; E455-R531 PolarHBondContact OE2-NH1 2.88Å; E455-R531 IonicContact OE2-NH2 2.78Å; E455-R531 PolarHBondContact OE2-NH2 2.84Å; S464-R531 PolarHBondContact O-NH1 3.47Å; S464-R531 VanDerWaalsContact O-NH1 3.16Å; S464-R531 PolarHBondContact OG-NH1 3.4Å; V467-R531 HydrophobicContact CG1-CB 4.24Å; R522-R531 CarbonylContact O-C 3.58Å; R522-R531 VanDerWaalsContact O-CA 3.28Å; R522-R531 WeakPolarHBondContact O-CA 3.49Å; C523-R531 WeakPolarHBondContact O-CD 3.39Å; R525-R531 HydrophobicContact CB-CG 4.2Å; R525-R531 PolarHBondContact O-NE 2.91Å; R525-R531 PolarHBondContact O-NH2 3.31Å; V526-R531 PolarHBondContact O-NH2 2.73Å; R528-R531 WeakPolarHBondContact O-CB 3.24Å; R528-R531 PolarHBondContact O-N 3.26Å; R528-R531 VanDerWaalsContact O-N 3.13Å; R531-T533 PolarHBondContact O-N 2.95Å
532S91.3Very high89.4Confident9 Ų947.9 Ų47.96%0.06323%0.228CC..PPolyproline II helixtrans-69.7120.3173.6-690000111.9V467 R522V467-S532 WeakPolarHBondContact CG1-O 3.47Å; R522-S532 WeakPolarHBondContact CB-OG 3.48Å; R522-S532 PolarHBondContact NE-OG 2.95Å; R522-S532 PolarHBondContact O-N 3.36Å
533T93.3Very high88.8Confident68 Ų6847 Ų4742%0.41722%0.224SC..PPolyproline II helixtrans-60.9153.1173.463.40000111.8R531 K535 Q536 L537R531-T533 PolarHBondContact O-N 2.95Å; T533-K535 PolarHBondContact O-N 3.37Å; T533-K535 VanDerWaalsContact O-N 3.1Å; T533-Q536 PolarHBondContact O-N 3.27Å; T533-Q536 VanDerWaalsContact OG1-CD 3.26Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.47Å; T533-Q536 PolarHBondContact OG1-N 3.46Å; T533-Q536 PolarHBondContact OG1-OE1 3.35Å; T533-L537 PolarHBondContact O-N 2.83Å
534V94.9Very high87.7Confident10 Ų1048.7 Ų48.76%0.06124%0.235CC..Hα-helixtrans-55.9-31.1175.9-177.10000112.1L394 L397 V467 L538L394-V534 HydrophobicContact CB-CG1 4.32Å; L394-V534 HydrophobicContact CD2-CG1 4.04Å; L394-V534 VanDerWaalsContact O-CG1 3.23Å; L394-V534 WeakPolarHBondContact O-CG1 3.32Å; L397-V534 HydrophobicContact CB-CG1 4.2Å; L397-V534 HydrophobicContact CB-CG2 4.2Å; V467-V534 HydrophobicContact CG2-CG2 3.72Å; V534-L538 HydrophobicContact CG1-CD1 4.24Å; V534-L538 WeakPolarHBondContact O-CB 3.47Å; V534-L538 WeakPolarHBondContact O-CG 3.41Å; V534-L538 PolarHBondContact O-N 3.01Å
535K91.9Very high86.1Confident148 Ų14850.2 Ų50.264%0.64325%0.245SC*.Hα-helixtrans-65.4-45.2174.3-68.2173.5-176.5164.90112.2T533 L538 V539T533-K535 PolarHBondContact O-N 3.37Å; T533-K535 VanDerWaalsContact O-N 3.1Å; K535-L538 PolarHBondContact O-N 2.68Å; K535-V539 WeakPolarHBondContact O-CG2 3.38Å
536Q91.1Very high84.4Confident75 Ų7551.8 Ų51.835%0.3526%0.255SS..Hα-helixtrans-65.6-42.9175.2-72.1156.6-34.100111.2T533 L538 V539 D540T533-Q536 PolarHBondContact O-N 3.27Å; T533-Q536 VanDerWaalsContact OG1-CD 3.26Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.47Å; T533-Q536 PolarHBondContact OG1-N 3.46Å; T533-Q536 PolarHBondContact OG1-OE1 3.35Å; Q536-L538 VanDerWaalsContact C-N 3.29Å; Q536-L538 PolarHBondContact O-N 2.9Å; Q536-V539 PolarHBondContact O-N 2.97Å; Q536-V539 VanDerWaalsContact O-N 3.08Å; Q536-D540 PolarHBondContact O-N 3.31Å; Q536-D540 VanDerWaalsContact O-N 3.13Å
537L93.5Very high82.7Confident0 Ų053.5 Ų53.50%026%0.262CS..Hα-helixtrans-63.1-31.6177-66.5172.5000112.9L394 V467 F470 I519 T533 V539 F543L394-L537 HydrophobicContact CD1-CB 3.87Å; L394-L537 HydrophobicContact CD2-CB 3.83Å; L394-L537 HydrophobicContact CD2-CD1 3.82Å; L394-L537 HydrophobicContact CD2-CG 4.49Å; V467-L537 HydrophobicContact CG1-CD1 4.27Å; F470-L537 HydrophobicContact CD1-CD1 4.15Å; F470-L537 HydrophobicContact CE1-CD1 4.16Å; I519-L537 HydrophobicContact CG2-CD2 4.16Å; T533-L537 PolarHBondContact O-N 2.83Å; L537-V539 VanDerWaalsContact C-N 3.26Å; L537-V539 PolarHBondContact O-N 3.04Å; L537-F543 WeakPolarHBondContact O-CD2 3.37Å
538L90.6Very high81.2Confident50 Ų5054.9 Ų54.926%0.26228%0.277SS..THydrogen-bonded Turntrans-74-13.1174.7-79171.1000114.4L394 K395 V534 K535 Q536L394-L538 HydrophobicContact CB-CD2 3.58Å; L394-L538 HydrophobicContact CB-CG 3.92Å; K395-L538 HydrophobicContact CG-CD2 3.99Å; V534-L538 HydrophobicContact CG1-CD1 4.24Å; V534-L538 WeakPolarHBondContact O-CB 3.47Å; V534-L538 WeakPolarHBondContact O-CG 3.41Å; V534-L538 PolarHBondContact O-N 3.01Å; K535-L538 PolarHBondContact O-N 2.68Å; Q536-L538 VanDerWaalsContact C-N 3.29Å; Q536-L538 PolarHBondContact O-N 2.9Å
539V84.6Confident79.9Confident77 Ų7751.6 Ų51.647%0.46727%0.266SS..THydrogen-bonded Turntrans-101.5-23.1179.1176.60000112.2K535 Q536 L537 D541K535-V539 WeakPolarHBondContact O-CG2 3.38Å; Q536-V539 PolarHBondContact O-N 2.97Å; Q536-V539 VanDerWaalsContact O-N 3.08Å; L537-V539 VanDerWaalsContact C-N 3.26Å; L537-V539 PolarHBondContact O-N 3.04Å; V539-D541 PolarHBondContact O-N 3.43Å
540D83.5Confident78.9Confident27 Ų2745.8 Ų45.814%0.14424%0.242CC..SBendtrans-50131.2177.5-172.1-59.1000112.8R522 Q536 F542 F543 T544R522-D540 IonicContact CZ-OD2 2.7Å; R522-D540 IonicContact NH1-OD2 2.95Å; R522-D540 PolarHBondContact NH1-OD2 3.09Å; R522-D540 IonicContact NH2-OD2 2.66Å; R522-D540 PolarHBondContact NH2-OD2 3.05Å; Q536-D540 PolarHBondContact O-N 3.31Å; Q536-D540 VanDerWaalsContact O-N 3.13Å; D540-F542 PolarHBondContact O-N 3.49Å; D540-F542 VanDerWaalsContact OD1-CB 3.32Å; D540-F542 WeakPolarHBondContact OD1-CB 3.32Å; D540-F542 PolarHBondContact OD1-N 3.29Å; D540-F543 HydrophobicContact CB-CD2 4.24Å; D540-F543 CarbonylContact O-C 3.6Å; D540-F543 WeakPolarHBondContact O-CA 3.48Å; D540-F543 PolarHBondContact O-N 3.36Å; D540-T544 PolarHBondContact O-N 2.7Å; D540-T544 VanDerWaalsContact O-N 3.14Å
541D77.7Confident78.3Confident25 Ų2544.9 Ų44.913%0.13424%0.238CC..G310 helixtrans-49.8-36.3-176.9-57.9-97.5000113.5V539 F543 T544 K631V539-D541 PolarHBondContact O-N 3.43Å; D541-F543 PolarHBondContact O-N 3.34Å; D541-T544 PolarHBondContact O-N 2.99Å; D541-T544 VanDerWaalsContact O-N 3.12Å; D541-T544 PolarHBondContact O-OG1 2.8Å; D541-K631 VanDerWaalsContact CG-NZ 3.28Å; D541-K631 IonicContact OD1-NZ 3.53Å; D541-K631 WeakPolarHBondContact OD2-CE 3.43Å; D541-K631 IonicContact OD2-NZ 3.05Å; D541-K631 PolarHBondContact OD2-NZ 2.86Å
542F81.4Confident77.6Confident6 Ų648 Ų483%0.02625%0.25CC..G310 helixtrans-61.6-33.2179.7-178.8-100000112.3I383 K387 E515 I516 I519 D540I383-F542 HydrophobicContact CD1-CE2 3.84Å; I383-F542 HydrophobicContact CD1-CZ 3.72Å; K387-F542 HydrophobicContact CD-CD2 4.47Å; K387-F542 HydrophobicContact CD-CE2 4.24Å; K387-F542 HydrophobicContact CD-CZ 4.3Å; K387-F542 VanDerWaalsContact CD-O 3.26Å; K387-F542 WeakPolarHBondContact CD-O 3.37Å; K387-F542 VanDerWaalsContact CE-O 3.26Å; K387-F542 WeakPolarHBondContact CE-O 3.1Å; K387-F542 HydrophobicContact CG-CD1 4.23Å; K387-F542 HydrophobicContact CG-CD2 4.48Å; K387-F542 HydrophobicContact CG-CE1 3.72Å; K387-F542 HydrophobicContact CG-CE2 4.03Å; K387-F542 HydrophobicContact CG-CZ 3.58Å; K387-F542 WeakPolarHBondContact CG-O 3.35Å; E515-F542 HydrophobicContact CG-CB 4.23Å; E515-F542 HydrophobicContact CG-CD2 3.37Å; E515-F542 HydrophobicContact CG-CE2 4.04Å; E515-F542 HydrophobicContact CG-CG 4.09Å; I516-F542 HydrophobicContact CD1-CE2 3.76Å; I516-F542 HydrophobicContact CD1-CZ 3.51Å; I516-F542 HydrophobicContact CG1-CD2 4.23Å; I516-F542 HydrophobicContact CG1-CE1 4.1Å; I516-F542 HydrophobicContact CG1-CE2 3.41Å; I516-F542 VanDerWaalsContact CG1-CE2 3.41Å; I516-F542 HydrophobicContact CG1-CZ 3.35Å; I519-F542 HydrophobicContact CD1-CB 3.46Å; I519-F542 VanDerWaalsContact CD1-CB 3.46Å; I519-F542 HydrophobicContact CD1-CD1 3.68Å; I519-F542 HydrophobicContact CD1-CG 3.7Å; D540-F542 PolarHBondContact O-N 3.49Å; D540-F542 VanDerWaalsContact OD1-CB 3.32Å; D540-F542 WeakPolarHBondContact OD1-CB 3.32Å; D540-F542 PolarHBondContact OD1-N 3.29Å
543F82.8Confident77.4Confident3 Ų347.6 Ų47.61%0.01325%0.247CC..G310 helixtrans-96.4-2.6176.4-58.1-60.2000113.5C390 R391 L394 F470 L474 I519 L537 D540 D541C390-F543 HydrophobicContact CB-CD1 3.92Å; C390-F543 HydrophobicContact CB-CE1 3.24Å; C390-F543 HydrophobicContact CB-CZ 3.99Å; R391-F543 WeakPolarHBondContact CD-O 3.41Å; R391-F543 PolarHBondContact NH1-O 2.82Å; L394-F543 HydrophobicContact CD1-CD2 3.94Å; L394-F543 HydrophobicContact CD1-CE2 3.95Å; L394-F543 HydrophobicContact CD1-CG 4.22Å; L394-F543 HydrophobicContact CD1-CZ 4.31Å; F470-F543 HydrophobicContact CE1-CZ 4.44Å; F470-F543 HydrophobicContact CZ-CE2 4.48Å; F470-F543 AromaticContact CZ-CZ 3.95Å; F470-F543 HydrophobicContact CZ-CZ 3.95Å; L474-F543 HydrophobicContact CD2-CZ 4.34Å; I519-F543 HydrophobicContact CD1-CE2 3.96Å; I519-F543 HydrophobicContact CD1-CZ 4.34Å; I519-F543 HydrophobicContact CG2-CE2 3.82Å; I519-F543 HydrophobicContact CG2-CZ 4.03Å; L537-F543 WeakPolarHBondContact O-CD2 3.37Å; D540-F543 HydrophobicContact CB-CD2 4.24Å; D540-F543 CarbonylContact O-C 3.6Å; D540-F543 WeakPolarHBondContact O-CA 3.48Å; D540-F543 PolarHBondContact O-N 3.36Å; D541-F543 PolarHBondContact O-N 3.34Å
544T71.5Confident77.1Confident36 Ų3646 Ų4622%0.22123%0.234CC..SBendtrans-64.8146164.270.50000110.4R391 D540 D541 E546R391-T544 PolarHBondContact NH1-O 3.38Å; D540-T544 PolarHBondContact O-N 2.7Å; D540-T544 VanDerWaalsContact O-N 3.14Å; D541-T544 PolarHBondContact O-N 2.99Å; D541-T544 VanDerWaalsContact O-N 3.12Å; D541-T544 PolarHBondContact O-OG1 2.8Å; T544-E546 PolarHBondContact O-N 2.84Å
545P62.7Low76.8Confident42 Ų4246.5 Ų46.527%0.27324%0.236SC..  trans-75.1112.8174.5-14.730.6000110.6D547 L548P545-D547 PolarHBondContact O-N 2.81Å; P545-L548 HydrophobicContact CB-CB 4.43Å; P545-L548 HydrophobicContact CB-CD1 4.19Å; P545-L548 PolarHBondContact O-N 2.62Å
546E56.5Low76.6Confident75 Ų7543.7 Ų43.735%0.3522%0.224SC..G310 helixtrans-44.4-41.3173.3-64.5165.3-174.600111.8K384 K387 T544 L548 I549 G550K384-E546 WeakPolarHBondContact CE-OE2 3.37Å; K384-E546 IonicContact NZ-OE2 3.14Å; K384-E546 PolarHBondContact NZ-OE2 2.88Å; K387-E546 IonicContact NZ-OE1 3.52Å; K387-E546 PolarHBondContact NZ-OE1 2.94Å; T544-E546 PolarHBondContact O-N 2.84Å; E546-L548 PolarHBondContact O-N 3.26Å; E546-I549 PolarHBondContact O-N 3.35Å; E546-G550 PolarHBondContact O-N 2.86Å
547D51.5Low76.4Confident91 Ų9143.7 Ų43.749%0.48723%0.227SC..G310 helixtrans-71.3-10.4-174.6-38.9-48.4000114.5W5 K384 P545W5-D547 WeakPolarHBondContact CH2-OD1 3.31Å; W5-D547 HydrophobicContact CZ2-CB 3.91Å; W5-D547 WeakPolarHBondContact CZ2-OD1 3.06Å; K384-D547 IonicContact NZ-OD1 3.65Å; P545-D547 PolarHBondContact O-N 2.81Å
548L51.8Low76Confident138 Ų13845.8 Ų45.872%0.72324%0.235SC*.G310 helixtrans-90.1-18175.5-106.569.9000113.2P545 E546P545-L548 HydrophobicContact CB-CB 4.43Å; P545-L548 HydrophobicContact CB-CD1 4.19Å; P545-L548 PolarHBondContact O-N 2.62Å; E546-L548 PolarHBondContact O-N 3.26Å
549I59.3Low75.6Confident26 Ų2649 Ų4913%0.13325%0.252CS..THydrogen-bonded Turntrans-123.6-50.6-165.3-55.9-175.1000110.4E546 I551 K580 M623 L627E546-I549 PolarHBondContact O-N 3.35Å; I549-I551 HydrophobicContact CG2-CB 3.88Å; I549-I551 HydrophobicContact CG2-CD1 4.38Å; I549-I551 VanDerWaalsContact CG2-O 3.32Å; I549-I551 WeakPolarHBondContact CG2-O 3.28Å; I549-I551 WeakPolarHBondContact O-CD1 3.26Å; I549-I551 PolarHBondContact O-N 2.77Å; I549-K580 PolarHBondContact O-NZ 2.91Å; I549-K580 VanDerWaalsContact O-NZ 3.11Å; I549-M623 HydrophobicContact CB-SD 4.03Å; I549-M623 HydrophobicContact CG1-SD 3.94Å; I549-M623 HydrophobicContact CG2-CE 3.84Å; I549-M623 HydrophobicContact CG2-CG 4.2Å; I549-M623 HydrophobicContact CG2-SD 3.7Å; I549-L627 HydrophobicContact CD1-CD2 4.26Å; I549-L627 HydrophobicContact CG2-CD1 3.9Å
550G65.8Low75.6Confident11 Ų1147.5 Ų47.511%0.11325%0.248CC..SBendtrans71.45-174.600000114.8E546 V575 Y576 D577E546-G550 PolarHBondContact O-N 2.86Å; G550-V575 CarbonylContact O-C 3.58Å; G550-Y576 PolarHBondContact O-N 3.25Å; G550-D577 PolarHBondContact O-N 3.33Å; G550-D577 VanDerWaalsContact O-N 3.11Å
551I76.4Confident75.9Confident12 Ų1246.7 Ų46.76%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-135.2148.2-172.4-56.1140.3000108.3I549 L573 R574 V575 K580 Y584 D620 M623 I624 L627I549-I551 HydrophobicContact CG2-CB 3.88Å; I549-I551 HydrophobicContact CG2-CD1 4.38Å; I549-I551 VanDerWaalsContact CG2-O 3.32Å; I549-I551 WeakPolarHBondContact CG2-O 3.28Å; I549-I551 WeakPolarHBondContact O-CD1 3.26Å; I549-I551 PolarHBondContact O-N 2.77Å; I551-L573 HydrophobicContact CG2-CD1 3.37Å; I551-L573 HydrophobicContact CG2-CG 4.1Å; I551-R574 CarbonylContact C-O 3.42Å; I551-R574 VanDerWaalsContact CA-O 3.29Å; I551-R574 WeakPolarHBondContact CA-O 3.41Å; I551-V575 HydrophobicContact CG1-CG2 4.14Å; I551-K580 HydrophobicContact CD1-CD 4.08Å; I551-K580 HydrophobicContact CG1-CD 4.41Å; I551-Y584 WeakPolarHBondContact CD1-OH 3.28Å; I551-D620 HydrophobicContact CD1-CB 4.5Å; I551-D620 WeakPolarHBondContact CD1-OD2 3.41Å; I551-M623 HydrophobicContact CD1-CE 3.55Å; I551-I624 HydrophobicContact CD1-CD1 4.35Å; I551-I624 HydrophobicContact CD1-CG1 4.5Å; I551-I624 HydrophobicContact CG2-CD1 4.38Å; I551-I624 HydrophobicContact CG2-CG1 4.39Å; I551-L627 HydrophobicContact CG2-CD1 4.41Å
552R78.4Confident76.2Confident80 Ų8046.6 Ų46.630%0.30224%0.243SC..EExtended strand (participates in β ladder)trans-133.2143.7175-169.2179.6-176.1-156.515.7109.8E515 E554 L573 R574 Y576E515-R552 IonicContact OE1-NH2 3.91Å; R552-E554 VanDerWaalsContact CD-OE1 3.29Å; R552-E554 WeakPolarHBondContact CD-OE1 3.37Å; R552-E554 HydrophobicContact CG-CG 4.15Å; R552-E554 IonicContact CZ-OE1 3.43Å; R552-E554 IonicContact NE-OE1 2.61Å; R552-E554 VanDerWaalsContact NH1-CD 3.25Å; R552-E554 IonicContact NH1-OE1 3.44Å; R552-E554 PolarHBondContact NH1-OE1 2.87Å; R552-E554 IonicContact NH1-OE2 2.69Å; R552-L573 CarbonylContact O-C 3.59Å; R552-L573 WeakPolarHBondContact O-CA 3.45Å; R552-R574 PolarHBondContact N-O 3.49Å; R552-R574 PolarHBondContact O-N 2.82Å; R552-Y576 HydrophobicContact CB-CD2 4.26Å; R552-Y576 HydrophobicContact CB-CE2 3.84Å
553V86.6Confident76.4Confident0 Ų050.4 Ų50.40%026%0.264CS..EExtended strand (participates in β ladder)trans-108.7133.8164.7-179.30000108.4M571 Q572 L573 F594 L627 I628 K631V553-M571 HydrophobicContact CG1-CE 3.74Å; V553-Q572 WeakPolarHBondContact CA-O 3.4Å; V553-L573 HydrophobicContact CG2-CD1 3.61Å; V553-F594 HydrophobicContact CG1-CZ 4.47Å; V553-L627 HydrophobicContact CB-CB 4.31Å; V553-L627 HydrophobicContact CG2-CB 3.68Å; V553-L627 HydrophobicContact CG2-CD1 4.36Å; V553-I628 HydrophobicContact CG1-CG1 4.38Å; V553-I628 HydrophobicContact CG2-CG1 4.17Å; V553-K631 HydrophobicContact CB-CG 4.24Å; V553-K631 HydrophobicContact CG1-CG 4.1Å; V553-K631 WeakPolarHBondContact O-CE 3.33Å
554E85.9Confident76.6Confident34 Ų3455.8 Ų55.816%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-124.6152.6177.1-67.7172-147.800109.3R552 M571 Q572 R574R552-E554 VanDerWaalsContact CD-OE1 3.29Å; R552-E554 WeakPolarHBondContact CD-OE1 3.37Å; R552-E554 HydrophobicContact CG-CG 4.15Å; R552-E554 IonicContact CZ-OE1 3.43Å; R552-E554 IonicContact NE-OE1 2.61Å; R552-E554 VanDerWaalsContact NH1-CD 3.25Å; R552-E554 IonicContact NH1-OE1 3.44Å; R552-E554 PolarHBondContact NH1-OE1 2.87Å; R552-E554 IonicContact NH1-OE2 2.69Å; E554-M571 CarbonylContact O-C 3.55Å; E554-M571 VanDerWaalsContact O-CA 3.3Å; E554-M571 WeakPolarHBondContact O-CA 3.33Å; E554-Q572 PolarHBondContact N-O 2.59Å; E554-Q572 PolarHBondContact O-N 3.48Å; E554-R574 IonicContact OE1-CZ 2.68Å; E554-R574 IonicContact OE1-NE 2.65Å; E554-R574 IonicContact OE1-NH1 3.21Å; E554-R574 PolarHBondContact OE1-NH1 3.11Å; E554-R574 IonicContact OE2-CZ 2.66Å; E554-R574 IonicContact OE2-NH1 3.48Å; E554-R574 PolarHBondContact OE2-NH1 2.81Å; E554-R574 IonicContact OE2-NH2 3.56Å; E554-R574 PolarHBondContact OE2-NH2 3.19Å; E554-R574 VanDerWaalsContact OE2-NH2 3.16Å
555I89.5Confident77.3Confident20 Ų2056.6 Ų56.610%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-104.1120.7167.3-59.6169.7000105.7R558 I569 Q570 M571 F635I555-R558 HydrophobicContact CB-CB 4.2Å; I555-R558 HydrophobicContact CG2-CB 4.11Å; I555-I569 HydrophobicContact CD1-CD1 3.83Å; I555-I569 HydrophobicContact CG1-CD1 4.23Å; I555-I569 HydrophobicContact CG2-CB 4.25Å; I555-I569 HydrophobicContact CG2-CD1 4.48Å; I555-Q570 CarbonylContact C-O 3.54Å; I555-M571 HydrophobicContact CD1-CE 4.49Å; I555-M571 HydrophobicContact CG1-CE 4.01Å; I555-M571 HydrophobicContact CG1-CG 4.42Å; I555-F635 HydrophobicContact CD1-CB 3.96Å; I555-F635 HydrophobicContact CD1-CD2 3.67Å; I555-F635 HydrophobicContact CD1-CG 4.16Å
556K86.9Confident78.5Confident89 Ų8957.4 Ų57.439%0.38730%0.298SS..THydrogen-bonded Turntrans-67-46.5-168.5-80.1-164.5167.8-168.30113.2Q570 Q572K556-Q570 HydrophobicContact CB-CB 4.4Å; K556-Q570 PolarHBondContact N-O 3.12Å; K556-Q572 VanDerWaalsContact CE-CD 3.43Å; K556-Q572 HydrophobicContact CG-CB 4.16Å
557N86.7Confident80.1Confident76 Ų7656.2 Ų56.241%0.40630%0.295SS..THydrogen-bonded Turntrans-109.626.8-171.7-59.1-15.1000111.9D559 A560 D561N557-D559 PolarHBondContact O-N 3.08Å; N557-A560 HydrophobicContact CB-CB 4.48Å; N557-A560 WeakPolarHBondContact O-CA 3.24Å; N557-A560 WeakPolarHBondContact O-CB 3.4Å; N557-A560 PolarHBondContact O-N 3.33Å; N557-D561 WeakPolarHBondContact CB-OD2 3.14Å; N557-D561 PolarHBondContact O-N 2.85Å
558R85.2Confident82Confident43 Ų4357.7 Ų57.716%0.16230%0.299CS..Hα-helixtrans-41.1-45.9-170.3176.7167.516972.8-14.6114.5E518 I555 L562 D638E518-R558 IonicContact OE1-CZ 3.68Å; E518-R558 IonicContact OE1-NH2 2.74Å; E518-R558 PolarHBondContact OE1-NH2 2.69Å; E518-R558 IonicContact OE2-CZ 2.68Å; E518-R558 VanDerWaalsContact OE2-CZ 3.29Å; E518-R558 IonicContact OE2-NE 3.27Å; E518-R558 PolarHBondContact OE2-NE 2.79Å; E518-R558 IonicContact OE2-NH2 3.93Å; E518-R558 PolarHBondContact OE2-NH2 2.66Å; I555-R558 HydrophobicContact CB-CB 4.2Å; I555-R558 HydrophobicContact CG2-CB 4.11Å; R558-L562 HydrophobicContact CG-CD1 3.87Å; R558-L562 VanDerWaalsContact O-CB 3.27Å; R558-L562 WeakPolarHBondContact O-CB 3.44Å; R558-L562 VanDerWaalsContact O-CG 3.24Å; R558-L562 WeakPolarHBondContact O-CG 3.27Å; R558-L562 PolarHBondContact O-N 2.67Å; R558-D638 IonicContact CZ-OD2 3.8Å; R558-D638 VanDerWaalsContact CZ-OD2 3.27Å; R558-D638 IonicContact NH1-OD2 2.7Å; R558-D638 PolarHBondContact NH1-OD2 3.35Å; R558-D638 IonicContact NH2-OD2 3.59Å; R558-D638 PolarHBondContact NH2-OD2 3.5Å
559D82.5Confident84Confident117 Ų11751.1 Ų51.163%0.62627%0.265SS*.Hα-helixtrans-71.6-34.3-178.4-62.4-27.2000113.3N557 N563N557-D559 PolarHBondContact O-N 3.08Å; D559-N563 PolarHBondContact O-N 3.2Å; D559-N563 PolarHBondContact O-ND2 3.04Å
560A85.6Confident85.5Confident47 Ų4753.6 Ų53.639%0.38828%0.276SS..Hα-helixtrans-73-50173.800000109.9N557 L562 N563 D564N557-A560 HydrophobicContact CB-CB 4.48Å; N557-A560 WeakPolarHBondContact O-CA 3.24Å; N557-A560 WeakPolarHBondContact O-CB 3.4Å; N557-A560 PolarHBondContact O-N 3.33Å; A560-L562 PolarHBondContact O-N 2.94Å; A560-N563 PolarHBondContact O-N 3.45Å; A560-D564 PolarHBondContact O-N 2.86Å
561D88.7Confident86.8Confident9 Ų953.1 Ų53.15%0.04827%0.27CS..Hα-helixtrans-58-34.6-179.8-59.9-34.5000112.3N557 L565 N566 I569 F635N557-D561 WeakPolarHBondContact CB-OD2 3.14Å; N557-D561 PolarHBondContact O-N 2.85Å; D561-L565 CarbonylContact O-C 3.58Å; D561-L565 WeakPolarHBondContact O-CA 3.43Å; D561-L565 PolarHBondContact O-N 3.45Å; D561-L565 VanDerWaalsContact O-N 3.13Å; D561-N566 HydrophobicContact CB-CB 4.15Å; D561-N566 PolarHBondContact O-N 2.83Å; D561-N566 PolarHBondContact OD1-ND2 3.21Å; D561-I569 HydrophobicContact CB-CG2 3.89Å; D561-F635 HydrophobicContact CB-CE2 3.85Å; D561-F635 HydrophobicContact CB-CZ 3.61Å
562L85.7Confident87.4Confident23 Ų2353 Ų5312%0.1227%0.27CS..Hα-helixtrans-74.6-30.3174.2-79.3170.6000114.4R558 A560 F635 D638 R639R558-L562 HydrophobicContact CG-CD1 3.87Å; R558-L562 VanDerWaalsContact O-CB 3.27Å; R558-L562 WeakPolarHBondContact O-CB 3.44Å; R558-L562 VanDerWaalsContact O-CG 3.24Å; R558-L562 WeakPolarHBondContact O-CG 3.27Å; R558-L562 PolarHBondContact O-N 2.67Å; A560-L562 PolarHBondContact O-N 2.94Å; L562-F635 HydrophobicContact CD1-CE2 4.44Å; L562-F635 HydrophobicContact CD2-CD1 4.37Å; L562-F635 HydrophobicContact CD2-CD2 4.21Å; L562-F635 HydrophobicContact CD2-CE1 4.06Å; L562-F635 HydrophobicContact CD2-CE2 3.91Å; L562-F635 HydrophobicContact CD2-CG 4.44Å; L562-F635 HydrophobicContact CD2-CZ 3.81Å; L562-F635 HydrophobicContact CG-CD2 4.18Å; L562-F635 HydrophobicContact CG-CE2 3.61Å; L562-F635 HydrophobicContact CG-CZ 3.82Å; L562-D638 HydrophobicContact CD1-CB 4.15Å; L562-D638 HydrophobicContact CD2-CB 3.65Å; L562-R639 HydrophobicContact CD2-CB 4.32Å
563N84.4Confident87.9Confident87 Ų8749.2 Ų49.247%0.46526%0.256SS..Hα-helixtrans-82.5-40179-82.3-62.7000112D559 A560 L565 R642D559-N563 PolarHBondContact O-N 3.2Å; D559-N563 PolarHBondContact O-ND2 3.04Å; A560-N563 PolarHBondContact O-N 3.45Å; N563-L565 PolarHBondContact O-N 3.37Å; N563-R642 PolarHBondContact OD1-NH2 3.32Å
564D87.4Confident87.7Confident115 Ų11552.8 Ų52.862%0.61527%0.269SS*.Hα-helixtrans-79.9-9.6177.1-61.4-28.7000112.3A560 N566A560-D564 PolarHBondContact O-N 2.86Å; D564-N566 VanDerWaalsContact C-N 3.3Å; D564-N566 PolarHBondContact O-N 3.17Å
565L86.9Confident87.3Confident53 Ų5352 Ų5228%0.27727%0.267SS..THydrogen-bonded Turntrans61.134.9-178.1-58.2164.6000113.1D561 N563 R639 R642 L643 I646D561-L565 CarbonylContact O-C 3.58Å; D561-L565 WeakPolarHBondContact O-CA 3.43Å; D561-L565 PolarHBondContact O-N 3.45Å; D561-L565 VanDerWaalsContact O-N 3.13Å; N563-L565 PolarHBondContact O-N 3.37Å; L565-R639 HydrophobicContact CD2-CG 3.82Å; L565-R642 HydrophobicContact CD2-CB 4.42Å; L565-R642 HydrophobicContact CD2-CG 4.28Å; L565-L643 HydrophobicContact CD1-CD2 3.73Å; L565-L643 HydrophobicContact CD2-CD2 4.17Å; L565-L643 HydrophobicContact CD2-CG 4.09Å; L565-I646 HydrophobicContact CD1-CD1 4.22Å
566N87.3Confident86.5Confident60 Ų6057 Ų5732%0.32129%0.285SS..  trans-57142-177.7-70.3-21.9000112.1D561 D564D561-N566 HydrophobicContact CB-CB 4.15Å; D561-N566 PolarHBondContact O-N 2.83Å; D561-N566 PolarHBondContact OD1-ND2 3.21Å; D564-N566 VanDerWaalsContact C-N 3.3Å; D564-N566 PolarHBondContact O-N 3.17Å
567V89.8Confident85.6Confident49 Ų4955.4 Ų55.430%0.29728%0.281SS..SBendtrans-91.7-39175.6-177.20000111.2D597 I598 E599V567-D597 WeakPolarHBondContact CG1-OD1 3.36Å; V567-I598 WeakPolarHBondContact O-CB 3.18Å; V567-I598 WeakPolarHBondContact O-CD1 3.28Å; V567-I598 VanDerWaalsContact O-CG1 3.28Å; V567-I598 WeakPolarHBondContact O-CG1 3.48Å; V567-I598 PolarHBondContact O-N 3.27Å; V567-E599 HydrophobicContact CG1-CB 4Å; V567-E599 HydrophobicContact CG1-CG 3.95Å
568E92.3Very high84.7Confident122 Ų12258.3 Ų58.357%0.5729%0.292SS*.EExtended strand (participates in β ladder)trans-86.1125.3170-171.8-171.2167.200109.7A595E568-A595 HydrophobicContact CG-CB 4.12Å; E568-A595 VanDerWaalsContact OE1-CB 3.24Å; E568-A595 WeakPolarHBondContact OE1-CB 3.37Å
569I92.3Very high83.8Confident0 Ų064.8 Ų64.80%032%0.321CS..EExtended strand (participates in β ladder)trans-119.7141.9177.653.8167.5000112.2I555 D561 M571 A595 F596 I598 F635I555-I569 HydrophobicContact CD1-CD1 3.83Å; I555-I569 HydrophobicContact CG1-CD1 4.23Å; I555-I569 HydrophobicContact CG2-CB 4.25Å; I555-I569 HydrophobicContact CG2-CD1 4.48Å; D561-I569 HydrophobicContact CB-CG2 3.89Å; I569-M571 HydrophobicContact CD1-CG 4.31Å; I569-M571 HydrophobicContact CD1-SD 4.46Å; I569-M571 HydrophobicContact CG1-CG 4.37Å; I569-A595 CarbonylContact O-C 3.52Å; I569-F596 HydrophobicContact CG1-CB 4.23Å; I569-F596 VanDerWaalsContact CG1-O 3.29Å; I569-F596 WeakPolarHBondContact CG1-O 3.36Å; I569-F596 PolarHBondContact N-O 3.37Å; I569-F596 PolarHBondContact O-N 2.66Å; I569-I598 HydrophobicContact CB-CD1 4.5Å; I569-I598 HydrophobicContact CD1-CD1 4.14Å; I569-I598 HydrophobicContact CD1-CG1 4Å; I569-I598 HydrophobicContact CG1-CD1 4.14Å; I569-I598 HydrophobicContact CG1-CG1 4.01Å; I569-I598 HydrophobicContact CG2-CD1 3.62Å; I569-I598 HydrophobicContact CG2-CG1 4.41Å; I569-F635 HydrophobicContact CD1-CG 4.43Å; I569-F635 HydrophobicContact CG2-CE1 4.02Å; I569-F635 HydrophobicContact CG2-CE2 4.01Å; I569-F635 HydrophobicContact CG2-CZ 3.72Å
570Q92.2Very high83.2Confident79 Ų7960.9 Ų60.937%0.36930%0.299SS..EExtended strand (participates in β ladder)trans-88.8112.1177.8-65.6-170.17.700111I555 K556I555-Q570 CarbonylContact C-O 3.54Å; K556-Q570 HydrophobicContact CB-CB 4.4Å; K556-Q570 PolarHBondContact N-O 3.12Å
571M91.3Very high82.3Confident0 Ų062.5 Ų62.50%030%0.295CS..EExtended strand (participates in β ladder)trans-101.1155.6179.7-56.3-167.793.700111.9V553 E554 I555 I569 Q593 F594 F596 I628 K631 V632V553-M571 HydrophobicContact CG1-CE 3.74Å; E554-M571 CarbonylContact O-C 3.55Å; E554-M571 VanDerWaalsContact O-CA 3.3Å; E554-M571 WeakPolarHBondContact O-CA 3.33Å; I555-M571 HydrophobicContact CD1-CE 4.49Å; I555-M571 HydrophobicContact CG1-CE 4.01Å; I555-M571 HydrophobicContact CG1-CG 4.42Å; I569-M571 HydrophobicContact CD1-CG 4.31Å; I569-M571 HydrophobicContact CD1-SD 4.46Å; I569-M571 HydrophobicContact CG1-CG 4.37Å; M571-Q593 WeakPolarHBondContact O-CA 3.31Å; M571-Q593 WeakPolarHBondContact O-CG 3.23Å; M571-F594 HydrophobicContact CB-CD1 4.11Å; M571-F594 HydrophobicContact CB-CD2 3.95Å; M571-F594 HydrophobicContact CB-CE1 3.66Å; M571-F594 HydrophobicContact CB-CE2 3.49Å; M571-F594 VanDerWaalsContact CB-CE2 3.49Å; M571-F594 HydrophobicContact CB-CG 4.24Å; M571-F594 HydrophobicContact CB-CZ 3.32Å; M571-F594 HydrophobicContact CG-CE2 3.96Å; M571-F594 HydrophobicContact CG-CZ 4.14Å; M571-F594 PolarHBondContact N-O 2.92Å; M571-F594 PolarHBondContact O-N 3.43Å; M571-F594 VanDerWaalsContact O-O 3.12Å; M571-F594 HydrophobicContact SD-CE2 3.55Å; M571-F594 VanDerWaalsContact SD-CE2 3.55Å; M571-F594 HydrophobicContact SD-CZ 3.84Å; M571-F596 HydrophobicContact CG-CB 4.02Å; M571-F596 HydrophobicContact SD-CB 3.59Å; M571-F596 VanDerWaalsContact SD-CB 3.59Å; M571-F596 HydrophobicContact SD-CD2 4.22Å; M571-F596 HydrophobicContact SD-CG 3.93Å; M571-I628 HydrophobicContact CE-CG2 4.35Å; M571-I628 HydrophobicContact SD-CG2 4.07Å; M571-K631 HydrophobicContact CE-CB 3.61Å; M571-K631 HydrophobicContact CE-CG 4.35Å; M571-V632 HydrophobicContact CE-CG2 4.27Å; M571-V632 HydrophobicContact SD-CG2 4.43Å
572Q89.6Confident81.2Confident11 Ų1171.1 Ų71.15%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-140.9122177.1-168.3-1757.600111.7V553 E554 K556 R574 E590 L592V553-Q572 WeakPolarHBondContact CA-O 3.4Å; E554-Q572 PolarHBondContact N-O 2.59Å; E554-Q572 PolarHBondContact O-N 3.48Å; K556-Q572 VanDerWaalsContact CE-CD 3.43Å; K556-Q572 HydrophobicContact CG-CB 4.16Å; Q572-R574 HydrophobicContact CG-CG 4.33Å; Q572-E590 PolarHBondContact NE2-O 3.01Å; Q572-L592 CarbonylContact C-O 3.58Å; Q572-L592 WeakPolarHBondContact CA-O 3.13Å
573L88.7Confident80.5Confident0 Ų074.1 Ų74.10%035%0.345CS..EExtended strand (participates in β ladder)trans-92.2130.8173.3-177.277.8000110.1I551 R552 V553 F586 G591 L592 F594 I616 I624I551-L573 HydrophobicContact CG2-CD1 3.37Å; I551-L573 HydrophobicContact CG2-CG 4.1Å; R552-L573 CarbonylContact O-C 3.59Å; R552-L573 WeakPolarHBondContact O-CA 3.45Å; V553-L573 HydrophobicContact CG2-CD1 3.61Å; L573-F586 HydrophobicContact CD2-CE1 4.12Å; L573-F586 HydrophobicContact CD2-CZ 4.47Å; L573-G591 CarbonylContact O-C 3.6Å; L573-G591 VanDerWaalsContact O-CA 3.26Å; L573-G591 WeakPolarHBondContact O-CA 3.4Å; L573-L592 HydrophobicContact CB-CB 4.21Å; L573-L592 HydrophobicContact CD2-CB 4.47Å; L573-L592 HydrophobicContact CD2-CD2 4.15Å; L573-L592 PolarHBondContact N-O 3.38Å; L573-L592 PolarHBondContact O-N 3.29Å; L573-F594 HydrophobicContact CB-CE1 4.27Å; L573-I616 HydrophobicContact CD2-CD1 3.51Å; L573-I616 HydrophobicContact CD2-CG1 3.94Å; L573-I624 HydrophobicContact CD1-CD1 4.19Å; L573-I624 HydrophobicContact CD1-CG1 4.31Å; L573-I624 HydrophobicContact CD1-CG2 3.94Å; L573-I624 HydrophobicContact CD2-CD1 4.17Å
574R83Confident80.1Confident74 Ų7470.6 Ų70.628%0.27933%0.325SS..EExtended strand (participates in β ladder)trans-130.9139177.9-63.3-175.7-174.2147.27.6111.4I551 R552 E554 Q572 Y576I551-R574 CarbonylContact C-O 3.42Å; I551-R574 VanDerWaalsContact CA-O 3.29Å; I551-R574 WeakPolarHBondContact CA-O 3.41Å; R552-R574 PolarHBondContact N-O 3.49Å; R552-R574 PolarHBondContact O-N 2.82Å; E554-R574 IonicContact OE1-CZ 2.68Å; E554-R574 IonicContact OE1-NE 2.65Å; E554-R574 IonicContact OE1-NH1 3.21Å; E554-R574 PolarHBondContact OE1-NH1 3.11Å; E554-R574 IonicContact OE2-CZ 2.66Å; E554-R574 IonicContact OE2-NH1 3.48Å; E554-R574 PolarHBondContact OE2-NH1 2.81Å; E554-R574 IonicContact OE2-NH2 3.56Å; E554-R574 PolarHBondContact OE2-NH2 3.19Å; E554-R574 VanDerWaalsContact OE2-NH2 3.16Å; Q572-R574 HydrophobicContact CG-CG 4.33Å; R574-Y576 HydrophobicContact CB-CD2 4.42Å; R574-Y576 HydrophobicContact CB-CE2 3.79Å
575V78.6Confident79.3Confident19 Ų1974.2 Ų74.212%0.11533%0.331CS..EExtended strand (participates in β ladder)trans-108.4111.4179.1178.40000109.6G550 I551 K580 R581 Y584 F586G550-V575 CarbonylContact O-C 3.58Å; I551-V575 HydrophobicContact CG1-CG2 4.14Å; V575-K580 HydrophobicContact CG1-CB 3.85Å; V575-R581 HydrophobicContact CG1-CG 3.98Å; V575-Y584 HydrophobicContact CG1-CD2 4.24Å; V575-Y584 HydrophobicContact CG2-CD1 3.79Å; V575-Y584 HydrophobicContact CG2-CD2 3.72Å; V575-Y584 HydrophobicContact CG2-CE1 3.97Å; V575-Y584 HydrophobicContact CG2-CE2 3.95Å; V575-Y584 HydrophobicContact CG2-CG 3.66Å; V575-F586 HydrophobicContact CG2-CE1 4.38Å; V575-F586 HydrophobicContact CG2-CE2 4.43Å; V575-F586 HydrophobicContact CG2-CZ 3.71Å
576Y70.8Confident78.5Confident123 Ų12373.6 Ų73.648%0.48233%0.326SS..  trans-91.3-32.4-179.4-71.1-86.6000112.7G550 R552 R574 E578 R581G550-Y576 PolarHBondContact O-N 3.25Å; R552-Y576 HydrophobicContact CB-CD2 4.26Å; R552-Y576 HydrophobicContact CB-CE2 3.84Å; R574-Y576 HydrophobicContact CB-CD2 4.42Å; R574-Y576 HydrophobicContact CB-CE2 3.79Å; Y576-E578 PolarHBondContact O-N 3.49Å; Y576-R581 PolarHBondContact O-NH2 2.66Å
577D68.3Low77.4Confident57 Ų5777.4 Ų77.431%0.30534%0.339SS..  trans-71.6112.5178.1-179.49.4000111.6G550 K579 K580 R581G550-D577 PolarHBondContact O-N 3.33Å; G550-D577 VanDerWaalsContact O-N 3.11Å; D577-K579 PolarHBondContact O-N 3.14Å; D577-K579 VanDerWaalsContact O-N 3.17Å; D577-K579 WeakPolarHBondContact OD1-CB 3.35Å; D577-K579 PolarHBondContact OD1-N 3.32Å; D577-K580 HydrophobicContact CB-CB 4.25Å; D577-K580 HydrophobicContact CB-CG 4.35Å; D577-K580 WeakPolarHBondContact O-CA 3.49Å; D577-K580 WeakPolarHBondContact O-CB 3.46Å; D577-K580 PolarHBondContact O-N 3.34Å; D577-R581 PolarHBondContact O-N 3.08Å
578E67.2Low75.8Confident136 Ų13681.4 Ų81.464%0.63636%0.355SS*.THydrogen-bonded Turntrans-58.5-24178.2-169.9161.6-14400113.9Y576 R581Y576-E578 PolarHBondContact O-N 3.49Å; E578-R581 IonicContact OE1-NH1 2.77Å
579K67.9Low74Confident179 Ų17982.9 Ų82.978%0.77837%0.367SS*.THydrogen-bonded Turntrans-71.8-40.2172.3-63.6172.8-176.5169.70111.3D577D577-K579 PolarHBondContact O-N 3.14Å; D577-K579 VanDerWaalsContact O-N 3.17Å; D577-K579 WeakPolarHBondContact OD1-CB 3.35Å; D577-K579 PolarHBondContact OD1-N 3.32Å
580K69.2Low72.6Confident36 Ų3688.3 Ų88.316%0.15739%0.392CS..G310 helixtrans-74.8-31.6177-73.5-167.3166.2-161.40113.2I549 I551 V575 D577 K582 Q583 Y584 D620I549-K580 PolarHBondContact O-NZ 2.91Å; I549-K580 VanDerWaalsContact O-NZ 3.11Å; I551-K580 HydrophobicContact CD1-CD 4.08Å; I551-K580 HydrophobicContact CG1-CD 4.41Å; V575-K580 HydrophobicContact CG1-CB 3.85Å; D577-K580 HydrophobicContact CB-CB 4.25Å; D577-K580 HydrophobicContact CB-CG 4.35Å; D577-K580 WeakPolarHBondContact O-CA 3.49Å; D577-K580 WeakPolarHBondContact O-CB 3.46Å; D577-K580 PolarHBondContact O-N 3.34Å; K580-K582 PolarHBondContact O-N 2.89Å; K580-Q583 WeakPolarHBondContact O-CB 3.34Å; K580-Q583 PolarHBondContact O-N 3.08Å; K580-Y584 HydrophobicContact CB-CD2 4.47Å; K580-Y584 HydrophobicContact CB-CE2 4.23Å; K580-Y584 WeakPolarHBondContact O-CD2 3.05Å; K580-D620 WeakPolarHBondContact CE-OD2 3.29Å; K580-D620 IonicContact NZ-OD1 3.03Å; K580-D620 PolarHBondContact NZ-OD1 3.46Å; K580-D620 IonicContact NZ-OD2 2.66Å; K580-D620 PolarHBondContact NZ-OD2 2.92Å
581R65.9Low71.9Confident81 Ų8185.2 Ų85.231%0.30638%0.382SS..G310 helixtrans-49.1-27.5-178.8-71.4-174.4-147.6140.415.8114.8V575 Y576 D577 E578 E588V575-R581 HydrophobicContact CG1-CG 3.98Å; Y576-R581 PolarHBondContact O-NH2 2.66Å; D577-R581 PolarHBondContact O-N 3.08Å; E578-R581 IonicContact OE1-NH1 2.77Å; R581-E588 WeakPolarHBondContact CD-OE1 2.96Å; R581-E588 IonicContact CZ-OE1 2.65Å; R581-E588 IonicContact NE-OE1 3.64Å; R581-E588 PolarHBondContact NE-OE1 2.93Å; R581-E588 IonicContact NH1-OE1 2.78Å; R581-E588 PolarHBondContact NH1-OE1 2.98Å
582K67.2Low71.6Confident190 Ų19086.1 Ų86.183%0.82639%0.386SS*.G310 helixtrans-76.2-17.1177.9-64.4-176.3-179.9179.60115.1K580K580-K582 PolarHBondContact O-N 2.89Å
583Q70.6Confident71.6Confident86 Ų8689.6 Ų89.640%0.40240%0.403SS..THydrogen-bonded Turntrans-95-24.8-176.8-161.2177.4-10.400111.8K580 P617 E619K580-Q583 WeakPolarHBondContact O-CB 3.34Å; K580-Q583 PolarHBondContact O-N 3.08Å; Q583-P617 HydrophobicContact CG-CB 3.75Å; Q583-P617 HydrophobicContact CG-CG 3.83Å; Q583-E619 PolarHBondContact NE2-OE2 2.87Å
584Y76.5Confident71.8Confident12 Ų1290.9 Ų90.95%0.04741%0.408CS..  trans-86.4149.7173.7-69.8-99000110.9I551 V575 K580 F586 H615 I616 P617 D620 I624I551-Y584 WeakPolarHBondContact CD1-OH 3.28Å; V575-Y584 HydrophobicContact CG1-CD2 4.24Å; V575-Y584 HydrophobicContact CG2-CD1 3.79Å; V575-Y584 HydrophobicContact CG2-CD2 3.72Å; V575-Y584 HydrophobicContact CG2-CE1 3.97Å; V575-Y584 HydrophobicContact CG2-CE2 3.95Å; V575-Y584 HydrophobicContact CG2-CG 3.66Å; K580-Y584 HydrophobicContact CB-CD2 4.47Å; K580-Y584 HydrophobicContact CB-CE2 4.23Å; K580-Y584 WeakPolarHBondContact O-CD2 3.05Å; Y584-F586 HydrophobicContact CD1-CD1 4.41Å; Y584-F586 AromaticContact CD1-CE1 3.68Å; Y584-F586 HydrophobicContact CD1-CE1 3.68Å; Y584-F586 HydrophobicContact CD1-CZ 4.33Å; Y584-F586 HydrophobicContact CG-CE1 4.3Å; Y584-H615 WeakPolarHBondContact CD1-O 3.47Å; Y584-I616 HydrophobicContact CD1-CG1 4.44Å; Y584-I616 HydrophobicContact CE1-CB 4.38Å; Y584-I616 HydrophobicContact CE1-CG1 4.16Å; Y584-I616 HydrophobicContact CE1-CG2 4.21Å; Y584-P617 HydrophobicContact CE1-CG 4.43Å; Y584-P617 HydrophobicContact CE2-CG 3.97Å; Y584-D620 VanDerWaalsContact OH-CB 3.32Å; Y584-D620 WeakPolarHBondContact OH-CB 3.47Å; Y584-D620 PolarHBondContact OH-OD2 2.67Å; Y584-I624 HydrophobicContact CE1-CD1 4.04Å; Y584-I624 WeakPolarHBondContact OH-CD1 3.44Å
585R69.3Low72.2Confident192 Ų19289.4 Ų89.473%0.72541%0.412SS*.  trans-101.7-6.8-174.3-63.8-59.8-168.5165.32.8115.7Q614R585-Q614 WeakPolarHBondContact CB-O 3.37Å; R585-Q614 WeakPolarHBondContact CG-O 3.38Å
586F71.1Confident73Confident40 Ų4088.6 Ų88.618%0.17541%0.407CS..SBendtrans-87.2161179.662-102.6000113.1L573 V575 Y584 L592L573-F586 HydrophobicContact CD2-CE1 4.12Å; L573-F586 HydrophobicContact CD2-CZ 4.47Å; V575-F586 HydrophobicContact CG2-CE1 4.38Å; V575-F586 HydrophobicContact CG2-CE2 4.43Å; V575-F586 HydrophobicContact CG2-CZ 3.71Å; Y584-F586 HydrophobicContact CD1-CD1 4.41Å; Y584-F586 AromaticContact CD1-CE1 3.68Å; Y584-F586 HydrophobicContact CD1-CE1 3.68Å; Y584-F586 HydrophobicContact CD1-CZ 4.33Å; Y584-F586 HydrophobicContact CG-CE1 4.3Å; F586-L592 HydrophobicContact CD1-CB 3.69Å; F586-L592 HydrophobicContact CE1-CB 3.77Å; F586-L592 HydrophobicContact CG-CB 4.14Å; F586-L592 HydrophobicContact CZ-CB 4.31Å
587K62.9Low74.1Confident140 Ų14084.5 Ų84.561%0.60939%0.393SS*.  trans-72.8140.8-176.9-61.3-161.7-141.9114.50112.5N589 E590K587-N589 PolarHBondContact O-N 3.17Å; K587-N589 VanDerWaalsContact O-N 3.09Å; K587-E590 WeakPolarHBondContact CD-OE2 3.46Å; K587-E590 IonicContact NZ-OE1 3.81Å; K587-E590 PolarHBondContact NZ-OE1 3.38Å; K587-E590 IonicContact NZ-OE2 3.59Å; K587-E590 PolarHBondContact NZ-OE2 3Å; K587-E590 PolarHBondContact O-N 2.72Å
588E56.7Low75.1Confident132 Ų13281.8 Ų81.862%0.61738%0.379SS*.THydrogen-bonded Turntrans-52.2-32.9-175.2-173.7162.6-137.600115.2R581R581-E588 WeakPolarHBondContact CD-OE1 2.96Å; R581-E588 IonicContact CZ-OE1 2.65Å; R581-E588 IonicContact NE-OE1 3.64Å; R581-E588 PolarHBondContact NE-OE1 2.93Å; R581-E588 IonicContact NH1-OE1 2.78Å; R581-E588 PolarHBondContact NH1-OE1 2.98Å
589N53.9Low76.2Confident154 Ų15480.8 Ų80.882%0.82437%0.374SS*.THydrogen-bonded Turntrans-98.8-11.6-172.8-61.7-25.2000114.7K587K587-N589 PolarHBondContact O-N 3.17Å; K587-N589 VanDerWaalsContact O-N 3.09Å
590E64.1Low77.3Confident113 Ų11378.5 Ų78.553%0.52837%0.37SS..THydrogen-bonded Turntrans-110-25.3-167.9-68.2169.415400112.5Q572 K587Q572-E590 PolarHBondContact NE2-O 3.01Å; K587-E590 WeakPolarHBondContact CD-OE2 3.46Å; K587-E590 IonicContact NZ-OE1 3.81Å; K587-E590 PolarHBondContact NZ-OE1 3.38Å; K587-E590 IonicContact NZ-OE2 3.59Å; K587-E590 PolarHBondContact NZ-OE2 3Å; K587-E590 PolarHBondContact O-N 2.72Å
591G76.2Confident78.4Confident15 Ų1579.4 Ų79.416%0.15538%0.377CS..  trans67.5172-172.900000113L573L573-G591 CarbonylContact O-C 3.6Å; L573-G591 VanDerWaalsContact O-CA 3.26Å; L573-G591 WeakPolarHBondContact O-CA 3.4Å
592L86.1Confident79.6Confident18 Ų1877.3 Ų77.39%0.09438%0.375CS..EExtended strand (participates in β ladder)trans-92.5107166.3176.670.1000108.1Q572 L573 F586 M610 H615 I616Q572-L592 CarbonylContact C-O 3.58Å; Q572-L592 WeakPolarHBondContact CA-O 3.13Å; L573-L592 HydrophobicContact CB-CB 4.21Å; L573-L592 HydrophobicContact CD2-CB 4.47Å; L573-L592 HydrophobicContact CD2-CD2 4.15Å; L573-L592 PolarHBondContact N-O 3.38Å; L573-L592 PolarHBondContact O-N 3.29Å; F586-L592 HydrophobicContact CD1-CB 3.69Å; F586-L592 HydrophobicContact CE1-CB 3.77Å; F586-L592 HydrophobicContact CG-CB 4.14Å; F586-L592 HydrophobicContact CZ-CB 4.31Å; L592-M610 HydrophobicContact CD2-CB 4.38Å; L592-M610 HydrophobicContact CD2-CE 4.34Å; L592-M610 HydrophobicContact CD2-CG 3.93Å; L592-M610 HydrophobicContact CD2-SD 3.93Å; L592-H615 HydrophobicContact CD1-CB 4.18Å; L592-H615 VanDerWaalsContact CD1-CD2 3.44Å; L592-H615 WeakPolarHBondContact CD1-CD2 3.43Å; L592-H615 HydrophobicContact CD2-CB 3.81Å; L592-I616 HydrophobicContact CD2-CD1 4.22Å; L592-I616 HydrophobicContact CD2-CG1 4.29Å
593Q89.4Confident80.8Confident85 Ų8569.3 Ų69.340%0.39734%0.342SS..EExtended strand (participates in β ladder)trans-88.7140.2170.8176.4173.6-5.900110.1M571M571-Q593 WeakPolarHBondContact O-CA 3.31Å; M571-Q593 WeakPolarHBondContact O-CG 3.23Å
594F92.2Very high81.9Confident26 Ų2670 Ų7011%0.11435%0.349CS..EExtended strand (participates in β ladder)trans-146.7158.417757.9-76.9000109.8V553 M571 L573 V606 M610 I628V553-F594 HydrophobicContact CG1-CZ 4.47Å; M571-F594 HydrophobicContact CB-CD1 4.11Å; M571-F594 HydrophobicContact CB-CD2 3.95Å; M571-F594 HydrophobicContact CB-CE1 3.66Å; M571-F594 HydrophobicContact CB-CE2 3.49Å; M571-F594 VanDerWaalsContact CB-CE2 3.49Å; M571-F594 HydrophobicContact CB-CG 4.24Å; M571-F594 HydrophobicContact CB-CZ 3.32Å; M571-F594 HydrophobicContact CG-CE2 3.96Å; M571-F594 HydrophobicContact CG-CZ 4.14Å; M571-F594 PolarHBondContact N-O 2.92Å; M571-F594 PolarHBondContact O-N 3.43Å; M571-F594 VanDerWaalsContact O-O 3.12Å; M571-F594 HydrophobicContact SD-CE2 3.55Å; M571-F594 VanDerWaalsContact SD-CE2 3.55Å; M571-F594 HydrophobicContact SD-CZ 3.84Å; L573-F594 HydrophobicContact CB-CE1 4.27Å; F594-V606 HydrophobicContact CD2-CG1 3.85Å; F594-V606 HydrophobicContact CE2-CG1 3.96Å; F594-M610 HydrophobicContact CB-CE 3.8Å; F594-M610 HydrophobicContact CD1-CE 3.34Å; F594-M610 HydrophobicContact CD2-CE 3.35Å; F594-M610 HydrophobicContact CE1-CE 3.62Å; F594-M610 HydrophobicContact CE2-CE 3.62Å; F594-M610 HydrophobicContact CG-CE 3.21Å; F594-M610 HydrophobicContact CZ-CE 3.75Å; F594-I628 HydrophobicContact CE2-CD1 3.79Å; F594-I628 HydrophobicContact CE2-CG1 4.36Å; F594-I628 HydrophobicContact CZ-CD1 3.56Å; F594-I628 HydrophobicContact CZ-CG1 3.92Å
595A92.6Very high82.6Confident44 Ų4475.3 Ų75.336%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-87.3156.5165.300000109.7E568 I569E568-A595 HydrophobicContact CG-CB 4.12Å; E568-A595 VanDerWaalsContact OE1-CB 3.24Å; E568-A595 WeakPolarHBondContact OE1-CB 3.37Å; I569-A595 CarbonylContact O-C 3.52Å
596F95.1Very high83.8Confident1 Ų166.7 Ų66.70%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-144.1122.4171-169.9-77.1000109.1I569 M571 D601 P603 V606 I628 V632I569-F596 HydrophobicContact CG1-CB 4.23Å; I569-F596 VanDerWaalsContact CG1-O 3.29Å; I569-F596 WeakPolarHBondContact CG1-O 3.36Å; I569-F596 PolarHBondContact N-O 3.37Å; I569-F596 PolarHBondContact O-N 2.66Å; M571-F596 HydrophobicContact CG-CB 4.02Å; M571-F596 HydrophobicContact SD-CB 3.59Å; M571-F596 VanDerWaalsContact SD-CB 3.59Å; M571-F596 HydrophobicContact SD-CD2 4.22Å; M571-F596 HydrophobicContact SD-CG 3.93Å; F596-D601 WeakPolarHBondContact CA-OD2 3.17Å; F596-D601 HydrophobicContact CD1-CB 4.19Å; F596-D601 HydrophobicContact CD2-CB 4.09Å; F596-D601 HydrophobicContact CE1-CB 3.87Å; F596-D601 HydrophobicContact CE2-CB 3.78Å; F596-D601 HydrophobicContact CG-CB 4.28Å; F596-D601 HydrophobicContact CZ-CB 3.65Å; F596-D601 VanDerWaalsContact CZ-O 3.31Å; F596-D601 WeakPolarHBondContact CZ-O 3.39Å; F596-P603 HydrophobicContact CE2-CB 4.44Å; F596-V606 HydrophobicContact CD2-CB 4.33Å; F596-V606 HydrophobicContact CD2-CG1 4.28Å; F596-V606 HydrophobicContact CD2-CG2 3.86Å; F596-V606 HydrophobicContact CE2-CB 4.28Å; F596-V606 HydrophobicContact CE2-CG2 3.84Å; F596-I628 HydrophobicContact CD2-CG2 3.85Å; F596-I628 HydrophobicContact CE2-CG2 3.74Å; F596-V632 HydrophobicContact CD1-CG2 3.64Å; F596-V632 HydrophobicContact CE1-CB 4.34Å; F596-V632 HydrophobicContact CE1-CG1 3.92Å; F596-V632 HydrophobicContact CE1-CG2 3.5Å; F596-V632 HydrophobicContact CE2-CG2 4.42Å; F596-V632 HydrophobicContact CG-CG2 4.2Å; F596-V632 HydrophobicContact CZ-CG2 3.92Å
597D93.1Very high84.8Confident37 Ų3764.8 Ų64.820%0.19833%0.334CS..EExtended strand (participates in β ladder)trans-83.2116.9172.8-174.2-46.8000110.4V567 E599 N600 D601V567-D597 WeakPolarHBondContact CG1-OD1 3.36Å; D597-E599 PolarHBondContact O-N 3.5Å; D597-E599 VanDerWaalsContact O-N 3.15Å; D597-E599 PolarHBondContact OD1-N 2.83Å; D597-N600 HydrophobicContact CB-CB 4.14Å; D597-N600 VanDerWaalsContact CG-ND2 3.28Å; D597-N600 PolarHBondContact OD1-N 3.33Å; D597-N600 PolarHBondContact OD1-ND2 2.93Å; D597-N600 PolarHBondContact OD2-ND2 3.03Å; D597-D601 HydrophobicContact CB-CB 4.33Å; D597-D601 PolarHBondContact N-OD2 3.27Å; D597-D601 WeakPolarHBondContact O-CB 3.49Å; D597-D601 PolarHBondContact O-N 2.83Å
598I90.7Very high86.1Confident1 Ų163.3 Ų63.31%0.00533%0.329CS..THydrogen-bonded Turntrans-62.8-22.1-175.4-68.6161.5000113.1V567 I569 F635 R636V567-I598 WeakPolarHBondContact O-CB 3.18Å; V567-I598 WeakPolarHBondContact O-CD1 3.28Å; V567-I598 VanDerWaalsContact O-CG1 3.28Å; V567-I598 WeakPolarHBondContact O-CG1 3.48Å; V567-I598 PolarHBondContact O-N 3.27Å; I569-I598 HydrophobicContact CB-CD1 4.5Å; I569-I598 HydrophobicContact CD1-CD1 4.14Å; I569-I598 HydrophobicContact CD1-CG1 4Å; I569-I598 HydrophobicContact CG1-CD1 4.14Å; I569-I598 HydrophobicContact CG1-CG1 4.01Å; I569-I598 HydrophobicContact CG2-CD1 3.62Å; I569-I598 HydrophobicContact CG2-CG1 4.41Å; I598-F635 HydrophobicContact CD1-CD1 3.36Å; I598-F635 HydrophobicContact CD1-CE1 3.33Å; I598-F635 HydrophobicContact CD1-CG 4.37Å; I598-F635 HydrophobicContact CD1-CZ 4.3Å; I598-F635 HydrophobicContact CG1-CD1 4.4Å; I598-R636 HydrophobicContact CG2-CG 3.55Å; I598-R636 PolarHBondContact O-NE 3.1Å; I598-R636 PolarHBondContact O-NH2 2.65Å
599E89.6Confident87.7Confident115 Ų11561.7 Ų61.754%0.53732%0.322SS..THydrogen-bonded Turntrans-111-30-174.2-67.3179.9-173.200112.6V567 D597 R639V567-E599 HydrophobicContact CG1-CB 4Å; V567-E599 HydrophobicContact CG1-CG 3.95Å; D597-E599 PolarHBondContact O-N 3.5Å; D597-E599 VanDerWaalsContact O-N 3.15Å; D597-E599 PolarHBondContact OD1-N 2.83Å; E599-R639 IonicContact OE1-CZ 3.39Å; E599-R639 IonicContact OE1-NH1 3.81Å; E599-R639 PolarHBondContact OE1-NH1 3.07Å; E599-R639 IonicContact OE1-NH2 2.96Å; E599-R639 PolarHBondContact OE1-NH2 3.23Å
600N90Very high89.4Confident130 Ų13054.7 Ų54.770%0.69528%0.284SS*.THydrogen-bonded Turntrans-102.8-32-177.9-60.1-64000114.9D597D597-N600 HydrophobicContact CB-CB 4.14Å; D597-N600 VanDerWaalsContact CG-ND2 3.28Å; D597-N600 PolarHBondContact OD1-N 3.33Å; D597-N600 PolarHBondContact OD1-ND2 2.93Å; D597-N600 PolarHBondContact OD2-ND2 3.03Å
601D93.1Very high90.6Very high56 Ų5650.4 Ų50.430%0.29927%0.265SS..  trans-85142.7-173.4-76-26.5000113.8F596 D597 V606F596-D601 WeakPolarHBondContact CA-OD2 3.17Å; F596-D601 HydrophobicContact CD1-CB 4.19Å; F596-D601 HydrophobicContact CD2-CB 4.09Å; F596-D601 HydrophobicContact CE1-CB 3.87Å; F596-D601 HydrophobicContact CE2-CB 3.78Å; F596-D601 HydrophobicContact CG-CB 4.28Å; F596-D601 HydrophobicContact CZ-CB 3.65Å; F596-D601 VanDerWaalsContact CZ-O 3.31Å; F596-D601 WeakPolarHBondContact CZ-O 3.39Å; D597-D601 HydrophobicContact CB-CB 4.33Å; D597-D601 PolarHBondContact N-OD2 3.27Å; D597-D601 WeakPolarHBondContact O-CB 3.49Å; D597-D601 PolarHBondContact O-N 2.83Å; D601-V606 HydrophobicContact CB-CG2 4.02Å
602S92.3Very high91.2Very high36 Ų3657.1 Ų57.125%0.25229%0.292SS..  trans-98.6131.4169.61780000110.8D604 E605 V606S602-D604 VanDerWaalsContact C-N 3.25Å; S602-D604 PolarHBondContact O-N 2.69Å; S602-E605 PolarHBondContact O-N 3Å; S602-E605 VanDerWaalsContact O-N 3.13Å; S602-V606 WeakPolarHBondContact O-CG2 3.46Å; S602-V606 PolarHBondContact O-N 3.12Å
603P92.4Very high91.2Very high22 Ų2261.4 Ų61.414%0.14331%0.312CS..Hα-helixtrans-62.4-32.3179.626.6-34.3000112.6F596 V607 T625 I628 K629F596-P603 HydrophobicContact CE2-CB 4.44Å; P603-V607 WeakPolarHBondContact O-CG2 3.19Å; P603-V607 PolarHBondContact O-N 2.7Å; P603-T625 HydrophobicContact CB-CG2 4.32Å; P603-I628 HydrophobicContact CB-CB 4.31Å; P603-I628 HydrophobicContact CB-CG2 3.96Å; P603-K629 HydrophobicContact CB-CB 4.2Å; P603-K629 HydrophobicContact CG-CB 4.03Å; P603-K629 HydrophobicContact CG-CG 4.48Å
604D92.3Very high90.7Very high102 Ų10263.9 Ų63.955%0.54532%0.323SS..Hα-helixtrans-66.8-39.6175.8-64.5-106.1000111.4S602 Q608 T625S602-D604 VanDerWaalsContact C-N 3.25Å; S602-D604 PolarHBondContact O-N 2.69Å; D604-Q608 WeakPolarHBondContact O-CB 3.31Å; D604-Q608 PolarHBondContact O-N 3.47Å; D604-T625 HydrophobicContact CB-CG2 4.2Å; D604-T625 VanDerWaalsContact CG-CG2 3.47Å
605E92.3Very high90.2Very high122 Ų12265.5 Ų65.557%0.5733%0.331SS*.Hα-helixtrans-73.5-42.5-179.7-66.1177.7-170.100111.9S602 V607 Q608 Q609S602-E605 PolarHBondContact O-N 3Å; S602-E605 VanDerWaalsContact O-N 3.13Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.46Å; E605-Q608 WeakPolarHBondContact O-CB 3.49Å; E605-Q608 PolarHBondContact O-N 3.07Å; E605-Q608 VanDerWaalsContact O-N 3.13Å; E605-Q609 WeakPolarHBondContact O-CG 3.43Å; E605-Q609 PolarHBondContact O-N 2.9Å
606V93.2Very high89.8Confident11 Ų1163.8 Ų63.87%0.06732%0.316CS..Hα-helixtrans-60.9-40.8175.8170.10000111.1F594 F596 D601 S602 Q609 M610 I628F594-V606 HydrophobicContact CD2-CG1 3.85Å; F594-V606 HydrophobicContact CE2-CG1 3.96Å; F596-V606 HydrophobicContact CD2-CB 4.33Å; F596-V606 HydrophobicContact CD2-CG1 4.28Å; F596-V606 HydrophobicContact CD2-CG2 3.86Å; F596-V606 HydrophobicContact CE2-CB 4.28Å; F596-V606 HydrophobicContact CE2-CG2 3.84Å; D601-V606 HydrophobicContact CB-CG2 4.02Å; S602-V606 WeakPolarHBondContact O-CG2 3.46Å; S602-V606 PolarHBondContact O-N 3.12Å; V606-Q609 PolarHBondContact O-N 3.04Å; V606-M610 HydrophobicContact CG1-CE 3.53Å; V606-M610 HydrophobicContact CG1-SD 4.47Å; V606-M610 VanDerWaalsContact O-CG 3.29Å; V606-M610 WeakPolarHBondContact O-CG 3.27Å; V606-M610 PolarHBondContact O-N 3.03Å; V606-I628 HydrophobicContact CG1-CD1 4.41Å
607V92.3Very high89.2Confident0 Ų064.4 Ų64.40%032%0.32CS..Hα-helixtrans-69.2-37.2173.7175.70000111.9P603 E605 Q609 M610 I611 T621 I624 I628P603-V607 WeakPolarHBondContact O-CG2 3.19Å; P603-V607 PolarHBondContact O-N 2.7Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.46Å; V607-Q609 VanDerWaalsContact C-N 3.31Å; V607-Q609 PolarHBondContact O-N 3.29Å; V607-M610 WeakPolarHBondContact O-CB 3.27Å; V607-M610 PolarHBondContact O-N 3.42Å; V607-M610 VanDerWaalsContact O-N 3.15Å; V607-I611 HydrophobicContact CG1-CD1 3.88Å; V607-I611 HydrophobicContact CG1-CG1 4.48Å; V607-I611 WeakPolarHBondContact O-CD1 3.4Å; V607-I611 WeakPolarHBondContact O-CG1 3.42Å; V607-I611 PolarHBondContact O-N 3.42Å; V607-T621 HydrophobicContact CG1-CG2 3.94Å; V607-I624 HydrophobicContact CG2-CB 4.49Å; V607-I624 HydrophobicContact CG2-CG2 3.94Å; V607-I628 HydrophobicContact CG2-CD1 3.69Å
608Q90.9Very high88.7Confident109 Ų10968.1 Ų68.151%0.50934%0.34SS..Hα-helixtrans-62.5-37.4176.4-172.455.780.800112.3D604 E605 I611 E612D604-Q608 WeakPolarHBondContact O-CB 3.31Å; D604-Q608 PolarHBondContact O-N 3.47Å; E605-Q608 WeakPolarHBondContact O-CB 3.49Å; E605-Q608 PolarHBondContact O-N 3.07Å; E605-Q608 VanDerWaalsContact O-N 3.13Å; Q608-I611 PolarHBondContact O-N 3.1Å; Q608-E612 PolarHBondContact O-N 3.15Å
609Q90.3Very high88.3Confident98 Ų9874.7 Ų74.746%0.45837%0.371SS..Hα-helixtrans-65.3-40.3172.2-67.8177.237.700112.2E605 V606 V607 I611 E612 Q613E605-Q609 WeakPolarHBondContact O-CG 3.43Å; E605-Q609 PolarHBondContact O-N 2.9Å; V606-Q609 PolarHBondContact O-N 3.04Å; V607-Q609 VanDerWaalsContact C-N 3.31Å; V607-Q609 PolarHBondContact O-N 3.29Å; Q609-I611 VanDerWaalsContact C-N 3.26Å; Q609-I611 PolarHBondContact O-N 3.13Å; Q609-E612 PolarHBondContact O-N 3.22Å; Q609-Q613 WeakPolarHBondContact O-CB 3.44Å; Q609-Q613 VanDerWaalsContact O-CG 3.24Å; Q609-Q613 WeakPolarHBondContact O-CG 3.46Å; Q609-Q613 PolarHBondContact O-N 3.21Å
610M89.1Confident88Confident7 Ų770 Ų703%0.03435%0.349CS..Hα-helixtrans-65.6-28.5176.5-65.9168.7-179.300113.4L592 F594 V606 V607 Q614 H615 I616 I628L592-M610 HydrophobicContact CD2-CB 4.38Å; L592-M610 HydrophobicContact CD2-CE 4.34Å; L592-M610 HydrophobicContact CD2-CG 3.93Å; L592-M610 HydrophobicContact CD2-SD 3.93Å; F594-M610 HydrophobicContact CB-CE 3.8Å; F594-M610 HydrophobicContact CD1-CE 3.34Å; F594-M610 HydrophobicContact CD2-CE 3.35Å; F594-M610 HydrophobicContact CE1-CE 3.62Å; F594-M610 HydrophobicContact CE2-CE 3.62Å; F594-M610 HydrophobicContact CG-CE 3.21Å; F594-M610 HydrophobicContact CZ-CE 3.75Å; V606-M610 HydrophobicContact CG1-CE 3.53Å; V606-M610 HydrophobicContact CG1-SD 4.47Å; V606-M610 VanDerWaalsContact O-CG 3.29Å; V606-M610 WeakPolarHBondContact O-CG 3.27Å; V606-M610 PolarHBondContact O-N 3.03Å; V607-M610 WeakPolarHBondContact O-CB 3.27Å; V607-M610 PolarHBondContact O-N 3.42Å; V607-M610 VanDerWaalsContact O-N 3.15Å; M610-Q614 PolarHBondContact O-N 3.25Å; M610-H615 PolarHBondContact O-N 3.08Å; M610-I616 HydrophobicContact CB-CB 4.39Å; M610-I616 HydrophobicContact CB-CD1 3.53Å; M610-I616 HydrophobicContact CB-CG1 3.94Å; M610-I616 HydrophobicContact CG-CD1 4.04Å; M610-I616 PolarHBondContact O-N 2.74Å; M610-I616 HydrophobicContact SD-CD1 3.42Å; M610-I616 WeakPolarHBondContact SD-CD1 3.38Å; M610-I628 HydrophobicContact CE-CD1 4.36Å; M610-I628 HydrophobicContact SD-CD1 4.49Å
611I89Confident87.8Confident23 Ų2365.6 Ų65.612%0.11833%0.327CS..Hα-helixtrans-74.7-44.6173-68.7160.4000110.4V607 Q608 Q609 Q613 Q614 I616 D618 T621V607-I611 HydrophobicContact CG1-CD1 3.88Å; V607-I611 HydrophobicContact CG1-CG1 4.48Å; V607-I611 WeakPolarHBondContact O-CD1 3.4Å; V607-I611 WeakPolarHBondContact O-CG1 3.42Å; V607-I611 PolarHBondContact O-N 3.42Å; Q608-I611 PolarHBondContact O-N 3.1Å; Q609-I611 VanDerWaalsContact C-N 3.26Å; Q609-I611 PolarHBondContact O-N 3.13Å; I611-Q613 VanDerWaalsContact C-N 3.29Å; I611-Q613 PolarHBondContact O-N 3Å; I611-Q614 WeakPolarHBondContact O-CA 3.41Å; I611-Q614 PolarHBondContact O-N 2.88Å; I611-I616 HydrophobicContact CG1-CB 4.34Å; I611-I616 HydrophobicContact CG1-CG2 4.36Å; I611-D618 WeakPolarHBondContact CG2-OD1 3.44Å; I611-T621 HydrophobicContact CD1-CG2 3.77Å; I611-T621 WeakPolarHBondContact CD1-OG1 3.24Å
612E88.9Confident87.4Confident157 Ų15773.3 Ų73.373%0.73435%0.352SS*.Hα-helixtrans-60.5-39175.8-173.6172.7-164.700111.9Q608 Q609 Q614Q608-E612 PolarHBondContact O-N 3.15Å; Q609-E612 PolarHBondContact O-N 3.22Å; E612-Q614 PolarHBondContact O-N 2.91Å
613Q86.1Confident87Confident108 Ų10873.8 Ų73.851%0.50535%0.351SS..THydrogen-bonded Turntrans-73.30.9171.9-65.9168.413.800113.8Q609 I611 H615Q609-Q613 WeakPolarHBondContact O-CB 3.44Å; Q609-Q613 VanDerWaalsContact O-CG 3.24Å; Q609-Q613 WeakPolarHBondContact O-CG 3.46Å; Q609-Q613 PolarHBondContact O-N 3.21Å; I611-Q613 VanDerWaalsContact C-N 3.29Å; I611-Q613 PolarHBondContact O-N 3Å; Q613-H615 PolarHBondContact O-N 2.85Å; Q613-H615 PolarHBondContact OE1-CD2 2.87Å
614Q79.7Confident86.7Confident137 Ų13772.8 Ų72.864%0.6434%0.344SS*.THydrogen-bonded Turntrans5625.8-177.9-55-172.23.700114.7R585 M610 I611 E612R585-Q614 WeakPolarHBondContact CB-O 3.37Å; R585-Q614 WeakPolarHBondContact CG-O 3.38Å; M610-Q614 PolarHBondContact O-N 3.25Å; I611-Q614 WeakPolarHBondContact O-CA 3.41Å; I611-Q614 PolarHBondContact O-N 2.88Å; E612-Q614 PolarHBondContact O-N 2.91Å
615H81.5Confident86.6Confident60 Ų6068.5 Ų68.528%0.27832%0.322SS..SBendtrans-80-28.6176.7-67.7-31.4000112.8Y584 L592 M610 Q613Y584-H615 WeakPolarHBondContact CD1-O 3.47Å; L592-H615 HydrophobicContact CD1-CB 4.18Å; L592-H615 VanDerWaalsContact CD1-CD2 3.44Å; L592-H615 WeakPolarHBondContact CD1-CD2 3.43Å; L592-H615 HydrophobicContact CD2-CB 3.81Å; M610-H615 PolarHBondContact O-N 3.08Å; Q613-H615 PolarHBondContact O-N 2.85Å; Q613-H615 PolarHBondContact OE1-CD2 2.87Å
616I83.8Confident86.3Confident7 Ų768.3 Ų68.34%0.03632%0.319CS..SBendtrans-128.1141.8-173.3-62.7-177.6000110.1L573 Y584 L592 M610 I611 I624L573-I616 HydrophobicContact CD2-CD1 3.51Å; L573-I616 HydrophobicContact CD2-CG1 3.94Å; Y584-I616 HydrophobicContact CD1-CG1 4.44Å; Y584-I616 HydrophobicContact CE1-CB 4.38Å; Y584-I616 HydrophobicContact CE1-CG1 4.16Å; Y584-I616 HydrophobicContact CE1-CG2 4.21Å; L592-I616 HydrophobicContact CD2-CD1 4.22Å; L592-I616 HydrophobicContact CD2-CG1 4.29Å; M610-I616 HydrophobicContact CB-CB 4.39Å; M610-I616 HydrophobicContact CB-CD1 3.53Å; M610-I616 HydrophobicContact CB-CG1 3.94Å; M610-I616 HydrophobicContact CG-CD1 4.04Å; M610-I616 PolarHBondContact O-N 2.74Å; M610-I616 HydrophobicContact SD-CD1 3.42Å; M610-I616 WeakPolarHBondContact SD-CD1 3.38Å; I611-I616 HydrophobicContact CG1-CB 4.34Å; I611-I616 HydrophobicContact CG1-CG2 4.36Å; I616-I624 HydrophobicContact CD1-CD1 4.02Å; I616-I624 HydrophobicContact CD1-CG2 4.18Å; I616-I624 HydrophobicContact CG1-CD1 4.47Å; I616-I624 HydrophobicContact CG2-CD1 3.72Å
617P82.3Confident86Confident14 Ų1468.2 Ų68.29%0.09132%0.318CS..  trans-84.5142.1173.733.9-35.3000114.2Q583 Y584 E619 D620Q583-P617 HydrophobicContact CG-CB 3.75Å; Q583-P617 HydrophobicContact CG-CG 3.83Å; Y584-P617 HydrophobicContact CE1-CG 4.43Å; Y584-P617 HydrophobicContact CE2-CG 3.97Å; P617-E619 PolarHBondContact O-N 3.14Å; P617-D620 HydrophobicContact CG-CB 4.48Å; P617-D620 PolarHBondContact O-N 2.8Å; P617-D620 VanDerWaalsContact O-N 3.09Å
618D84Confident85.9Confident116 Ų11668.2 Ų68.262%0.6232%0.318SS*.G310 helixtrans-50.6-31.5-179.1-54.60.4000114.6I611 D620 T621I611-D618 WeakPolarHBondContact CG2-OD1 3.44Å; D618-D620 VanDerWaalsContact C-N 3.32Å; D618-D620 PolarHBondContact O-N 2.84Å; D618-T621 WeakPolarHBondContact CA-OG1 3.23Å; D618-T621 WeakPolarHBondContact O-CB 3.25Å; D618-T621 PolarHBondContact O-N 3.04Å; D618-T621 PolarHBondContact O-OG1 2.76Å
619E81.8Confident85.8Confident139 Ų13967.9 Ų67.965%0.6532%0.315SS*.G310 helixtrans-69.7-28.6-177.5-59.495.7154.300113.2Q583 P617Q583-E619 PolarHBondContact NE2-OE2 2.87Å; P617-E619 PolarHBondContact O-N 3.14Å
620D82.5Confident85.5Confident17 Ų1765 Ų659%0.09130%0.303CS..G310 helixtrans-92.8-5.2-179-81.3-28.3000113.1I551 K580 Y584 P617 D618 R622 M623 I624I551-D620 HydrophobicContact CD1-CB 4.5Å; I551-D620 WeakPolarHBondContact CD1-OD2 3.41Å; K580-D620 WeakPolarHBondContact CE-OD2 3.29Å; K580-D620 IonicContact NZ-OD1 3.03Å; K580-D620 PolarHBondContact NZ-OD1 3.46Å; K580-D620 IonicContact NZ-OD2 2.66Å; K580-D620 PolarHBondContact NZ-OD2 2.92Å; Y584-D620 VanDerWaalsContact OH-CB 3.32Å; Y584-D620 WeakPolarHBondContact OH-CB 3.47Å; Y584-D620 PolarHBondContact OH-OD2 2.67Å; P617-D620 HydrophobicContact CG-CB 4.48Å; P617-D620 PolarHBondContact O-N 2.8Å; P617-D620 VanDerWaalsContact O-N 3.09Å; D618-D620 VanDerWaalsContact C-N 3.32Å; D618-D620 PolarHBondContact O-N 2.84Å; D620-R622 PolarHBondContact O-N 2.72Å; D620-M623 HydrophobicContact CB-CE 4.27Å; D620-M623 WeakPolarHBondContact O-CA 3.32Å; D620-M623 WeakPolarHBondContact O-CB 3.44Å; D620-M623 PolarHBondContact O-N 3.29Å; D620-M623 WeakPolarHBondContact OD1-CE 2.92Å; D620-I624 HydrophobicContact CB-CD1 4.22Å; D620-I624 PolarHBondContact O-N 3.45Å
621T87Confident85.4Confident36 Ų3666.7 Ų66.722%0.22131%0.31CS..Hα-helixtrans-42.5-59.3-177.2-59.20000113.7V607 I611 D618 M623 I624 T625V607-T621 HydrophobicContact CG1-CG2 3.94Å; I611-T621 HydrophobicContact CD1-CG2 3.77Å; I611-T621 WeakPolarHBondContact CD1-OG1 3.24Å; D618-T621 WeakPolarHBondContact CA-OG1 3.23Å; D618-T621 WeakPolarHBondContact O-CB 3.25Å; D618-T621 PolarHBondContact O-N 3.04Å; D618-T621 PolarHBondContact O-OG1 2.76Å; T621-M623 PolarHBondContact O-N 3.46Å; T621-M623 VanDerWaalsContact O-N 3.16Å; T621-I624 PolarHBondContact O-N 3.15Å; T621-T625 VanDerWaalsContact O-CB 3.3Å; T621-T625 WeakPolarHBondContact O-CB 3.17Å; T621-T625 PolarHBondContact O-N 2.9Å; T621-T625 PolarHBondContact O-OG1 3.37Å
622R84.6Confident85.5Confident218 Ų21865.8 Ų65.882%0.82331%0.305SS*.Hα-helixtrans-61.3-27.6-176.7-67.4-178.7-65.1-150.6-5113.2D620 K626D620-R622 PolarHBondContact O-N 2.72Å; R622-K626 WeakPolarHBondContact O-CB 3.25Å; R622-K626 PolarHBondContact O-N 2.79Å
623M82.7Confident85.5Confident47 Ų4760.9 Ų60.923%0.23228%0.284CS..Hα-helixtrans-83.5-40-177.9-171.9173.660.800111.2I549 I551 D620 T621 K626 L627I549-M623 HydrophobicContact CB-SD 4.03Å; I549-M623 HydrophobicContact CG1-SD 3.94Å; I549-M623 HydrophobicContact CG2-CE 3.84Å; I549-M623 HydrophobicContact CG2-CG 4.2Å; I549-M623 HydrophobicContact CG2-SD 3.7Å; I551-M623 HydrophobicContact CD1-CE 3.55Å; D620-M623 HydrophobicContact CB-CE 4.27Å; D620-M623 WeakPolarHBondContact O-CA 3.32Å; D620-M623 WeakPolarHBondContact O-CB 3.44Å; D620-M623 PolarHBondContact O-N 3.29Å; D620-M623 WeakPolarHBondContact OD1-CE 2.92Å; T621-M623 PolarHBondContact O-N 3.46Å; T621-M623 VanDerWaalsContact O-N 3.16Å; M623-K626 PolarHBondContact O-N 2.7Å; M623-L627 WeakPolarHBondContact O-CG 3.34Å; M623-L627 PolarHBondContact O-N 3.06Å
624I87.2Confident85.3Confident0 Ų056.6 Ų56.60%027%0.267CS..Hα-helixtrans-73.5-38.7175.8-64.5174.1000110.9I551 L573 Y584 V607 I616 D620 T621 K626 L627 I628I551-I624 HydrophobicContact CD1-CD1 4.35Å; I551-I624 HydrophobicContact CD1-CG1 4.5Å; I551-I624 HydrophobicContact CG2-CD1 4.38Å; I551-I624 HydrophobicContact CG2-CG1 4.39Å; L573-I624 HydrophobicContact CD1-CD1 4.19Å; L573-I624 HydrophobicContact CD1-CG1 4.31Å; L573-I624 HydrophobicContact CD1-CG2 3.94Å; L573-I624 HydrophobicContact CD2-CD1 4.17Å; Y584-I624 HydrophobicContact CE1-CD1 4.04Å; Y584-I624 WeakPolarHBondContact OH-CD1 3.44Å; V607-I624 HydrophobicContact CG2-CB 4.49Å; V607-I624 HydrophobicContact CG2-CG2 3.94Å; I616-I624 HydrophobicContact CD1-CD1 4.02Å; I616-I624 HydrophobicContact CD1-CG2 4.18Å; I616-I624 HydrophobicContact CG1-CD1 4.47Å; I616-I624 HydrophobicContact CG2-CD1 3.72Å; D620-I624 HydrophobicContact CB-CD1 4.22Å; D620-I624 PolarHBondContact O-N 3.45Å; T621-I624 PolarHBondContact O-N 3.15Å; I624-K626 VanDerWaalsContact C-N 3.25Å; I624-K626 PolarHBondContact O-N 3.39Å; I624-L627 PolarHBondContact O-N 3.25Å; I624-I628 HydrophobicContact CG2-CD1 4.07Å; I624-I628 HydrophobicContact CG2-CG1 4.34Å; I624-I628 WeakPolarHBondContact O-CG1 3.43Å; I624-I628 PolarHBondContact O-N 3.11Å
625T90.2Very high85.7Confident13 Ų1350.1 Ų50.18%0.0824%0.237CC..Hα-helixtrans-54.2-46.3170.8-55.20000110.4P603 D604 T621 K629P603-T625 HydrophobicContact CB-CG2 4.32Å; D604-T625 HydrophobicContact CB-CG2 4.2Å; D604-T625 VanDerWaalsContact CG-CG2 3.47Å; T621-T625 VanDerWaalsContact O-CB 3.3Å; T621-T625 WeakPolarHBondContact O-CB 3.17Å; T621-T625 PolarHBondContact O-N 2.9Å; T621-T625 PolarHBondContact O-OG1 3.37Å; T625-K629 WeakPolarHBondContact O-CB 3.46Å; T625-K629 PolarHBondContact O-N 2.83Å
626K85.7Confident86.1Confident118 Ų11851.5 Ų51.551%0.51324%0.239SC..Hα-helixtrans-61.7-47.2173.4177.3174.3170.7176.80112.4R622 M623 I624 I628 K629 D630R622-K626 WeakPolarHBondContact O-CB 3.25Å; R622-K626 PolarHBondContact O-N 2.79Å; M623-K626 PolarHBondContact O-N 2.7Å; I624-K626 VanDerWaalsContact C-N 3.25Å; I624-K626 PolarHBondContact O-N 3.39Å; K626-I628 VanDerWaalsContact C-N 3.34Å; K626-I628 PolarHBondContact O-N 3Å; K626-K629 PolarHBondContact O-N 2.85Å; K626-D630 WeakPolarHBondContact CE-OD2 3.43Å; K626-D630 IonicContact NZ-OD2 3.04Å; K626-D630 WeakPolarHBondContact O-CB 3.13Å; K626-D630 VanDerWaalsContact O-CG 3.31Å; K626-D630 PolarHBondContact O-N 2.79Å
627L86.5Confident86.2Confident8 Ų856.4 Ų56.44%0.04226%0.258CS..Hα-helixtrans-61.5-40.4-179.7-73.3168.6000112.7I549 I551 V553 M623 I624 K631I549-L627 HydrophobicContact CD1-CD2 4.26Å; I549-L627 HydrophobicContact CG2-CD1 3.9Å; I551-L627 HydrophobicContact CG2-CD1 4.41Å; V553-L627 HydrophobicContact CB-CB 4.31Å; V553-L627 HydrophobicContact CG2-CB 3.68Å; V553-L627 HydrophobicContact CG2-CD1 4.36Å; M623-L627 WeakPolarHBondContact O-CG 3.34Å; M623-L627 PolarHBondContact O-N 3.06Å; I624-L627 PolarHBondContact O-N 3.25Å; L627-K631 WeakPolarHBondContact O-CB 3.48Å; L627-K631 WeakPolarHBondContact O-CG 3.22Å; L627-K631 PolarHBondContact O-N 3.22Å; L627-K631 VanDerWaalsContact O-N 3.12Å
628I89.7Confident86.3Confident0 Ų056.9 Ų56.90%026%0.259CS..Hα-helixtrans-65.1-47.6175.3-65.9177.6000109.5V553 M571 F594 F596 P603 V606 V607 M610 I624 K626 K631 V632V553-I628 HydrophobicContact CG1-CG1 4.38Å; V553-I628 HydrophobicContact CG2-CG1 4.17Å; M571-I628 HydrophobicContact CE-CG2 4.35Å; M571-I628 HydrophobicContact SD-CG2 4.07Å; F594-I628 HydrophobicContact CE2-CD1 3.79Å; F594-I628 HydrophobicContact CE2-CG1 4.36Å; F594-I628 HydrophobicContact CZ-CD1 3.56Å; F594-I628 HydrophobicContact CZ-CG1 3.92Å; F596-I628 HydrophobicContact CD2-CG2 3.85Å; F596-I628 HydrophobicContact CE2-CG2 3.74Å; P603-I628 HydrophobicContact CB-CB 4.31Å; P603-I628 HydrophobicContact CB-CG2 3.96Å; V606-I628 HydrophobicContact CG1-CD1 4.41Å; V607-I628 HydrophobicContact CG2-CD1 3.69Å; M610-I628 HydrophobicContact CE-CD1 4.36Å; M610-I628 HydrophobicContact SD-CD1 4.49Å; I624-I628 HydrophobicContact CG2-CD1 4.07Å; I624-I628 HydrophobicContact CG2-CG1 4.34Å; I624-I628 WeakPolarHBondContact O-CG1 3.43Å; I624-I628 PolarHBondContact O-N 3.11Å; K626-I628 VanDerWaalsContact C-N 3.34Å; K626-I628 PolarHBondContact O-N 3Å; I628-K631 PolarHBondContact O-N 2.97Å; I628-V632 HydrophobicContact CG2-CG2 4.33Å; I628-V632 WeakPolarHBondContact O-CG2 3.25Å; I628-V632 PolarHBondContact O-N 2.81Å
629K89.6Confident86.5Confident103 Ų10353 Ų5345%0.44824%0.236SC..Hα-helixtrans-58.5-50.5176.7-177.8169.2-179.2166.90113P603 T625 K626 K631 V632 D633P603-K629 HydrophobicContact CB-CB 4.2Å; P603-K629 HydrophobicContact CG-CB 4.03Å; P603-K629 HydrophobicContact CG-CG 4.48Å; T625-K629 WeakPolarHBondContact O-CB 3.46Å; T625-K629 PolarHBondContact O-N 2.83Å; K626-K629 PolarHBondContact O-N 2.85Å; K629-K631 PolarHBondContact O-N 3.44Å; K629-V632 PolarHBondContact O-N 3.22Å; K629-V632 VanDerWaalsContact O-N 3.13Å; K629-D633 WeakPolarHBondContact CE-OD2 3.48Å; K629-D633 WeakPolarHBondContact CG-OD2 3.15Å; K629-D633 WeakPolarHBondContact O-CB 3.36Å; K629-D633 PolarHBondContact O-N 2.91Å
630D84Confident86.8Confident38 Ų3850 Ų5020%0.20322%0.224CC..Hα-helixtrans-59.4-33.9179.7-72.7-5.6000111K626 A634K626-D630 WeakPolarHBondContact CE-OD2 3.43Å; K626-D630 IonicContact NZ-OD2 3.04Å; K626-D630 WeakPolarHBondContact O-CB 3.13Å; K626-D630 VanDerWaalsContact O-CG 3.31Å; K626-D630 PolarHBondContact O-N 2.79Å; D630-A634 WeakPolarHBondContact O-CB 3.48Å; D630-A634 PolarHBondContact O-N 3.3Å; D630-A634 VanDerWaalsContact O-N 3.12Å
631K87.1Confident86.8Confident42 Ų4250.8 Ų50.818%0.18323%0.227CC..Hα-helixtrans-71.2-43.6172.4-76.5-53.4-168.5-165.90114D541 V553 M571 L627 I628 K629 A634 F635D541-K631 VanDerWaalsContact CG-NZ 3.28Å; D541-K631 IonicContact OD1-NZ 3.53Å; D541-K631 WeakPolarHBondContact OD2-CE 3.43Å; D541-K631 IonicContact OD2-NZ 3.05Å; D541-K631 PolarHBondContact OD2-NZ 2.86Å; V553-K631 HydrophobicContact CB-CG 4.24Å; V553-K631 HydrophobicContact CG1-CG 4.1Å; V553-K631 WeakPolarHBondContact O-CE 3.33Å; M571-K631 HydrophobicContact CE-CB 3.61Å; M571-K631 HydrophobicContact CE-CG 4.35Å; L627-K631 WeakPolarHBondContact O-CB 3.48Å; L627-K631 WeakPolarHBondContact O-CG 3.22Å; L627-K631 PolarHBondContact O-N 3.22Å; L627-K631 VanDerWaalsContact O-N 3.12Å; I628-K631 PolarHBondContact O-N 2.97Å; K629-K631 PolarHBondContact O-N 3.44Å; K631-A634 PolarHBondContact O-N 2.9Å; K631-F635 PolarHBondContact O-N 3.4Å
632V90.8Very high86.8Confident4 Ų453.2 Ų53.22%0.02423%0.232CC..Hα-helixtrans-67.9-44.2178.5172.10000110.6M571 F596 I628 K629 A634 F635 R636M571-V632 HydrophobicContact CE-CG2 4.27Å; M571-V632 HydrophobicContact SD-CG2 4.43Å; F596-V632 HydrophobicContact CD1-CG2 3.64Å; F596-V632 HydrophobicContact CE1-CB 4.34Å; F596-V632 HydrophobicContact CE1-CG1 3.92Å; F596-V632 HydrophobicContact CE1-CG2 3.5Å; F596-V632 HydrophobicContact CE2-CG2 4.42Å; F596-V632 HydrophobicContact CG-CG2 4.2Å; F596-V632 HydrophobicContact CZ-CG2 3.92Å; I628-V632 HydrophobicContact CG2-CG2 4.33Å; I628-V632 WeakPolarHBondContact O-CG2 3.25Å; I628-V632 PolarHBondContact O-N 2.81Å; K629-V632 PolarHBondContact O-N 3.22Å; K629-V632 VanDerWaalsContact O-N 3.13Å; V632-A634 PolarHBondContact O-N 3.03Å; V632-F635 PolarHBondContact O-N 3.17Å; V632-R636 HydrophobicContact CG1-CG 4.38Å; V632-R636 WeakPolarHBondContact O-CB 2.98Å; V632-R636 WeakPolarHBondContact O-CG 3.14Å; V632-R636 PolarHBondContact O-N 3.36Å
633D88.1Confident87Confident54 Ų5446.4 Ų46.429%0.28921%0.212SC..Hα-helixtrans-72-13.9176.4-70.5-20000112.7K629 R636 R637K629-D633 WeakPolarHBondContact CE-OD2 3.48Å; K629-D633 WeakPolarHBondContact CG-OD2 3.15Å; K629-D633 WeakPolarHBondContact O-CB 3.36Å; K629-D633 PolarHBondContact O-N 2.91Å; D633-R636 IonicContact OD1-NH1 3.23Å; D633-R636 PolarHBondContact OD1-NH1 3Å; D633-R636 VanDerWaalsContact OD1-NH1 3.07Å; D633-R637 PolarHBondContact O-NE 3.44Å; D633-R637 PolarHBondContact O-NH2 3.38Å
634A82.5Confident87.2Confident18 Ų1849.2 Ų49.215%0.14923%0.228CC..Hα-helixtrans-78.3-56.2162.500000111.3D630 K631 V632 R636 R637 D638D630-A634 WeakPolarHBondContact O-CB 3.48Å; D630-A634 PolarHBondContact O-N 3.3Å; D630-A634 VanDerWaalsContact O-N 3.12Å; K631-A634 PolarHBondContact O-N 2.9Å; V632-A634 PolarHBondContact O-N 3.03Å; A634-R636 VanDerWaalsContact C-N 3.31Å; A634-R636 PolarHBondContact O-N 2.84Å; A634-R637 PolarHBondContact O-N 2.73Å; A634-D638 PolarHBondContact O-N 3.03Å; A634-D638 VanDerWaalsContact O-N 3.08Å; A634-D638 VanDerWaalsContact O-OD2 3.12Å
635F89Confident87.1Confident0 Ų052.1 Ų52.10%024%0.241CC..Hα-helixtrans-57-41.6-177.8-170.1-77.8000112.7I555 D561 L562 I569 I598 K631 V632 R637 D638 R639I555-F635 HydrophobicContact CD1-CB 3.96Å; I555-F635 HydrophobicContact CD1-CD2 3.67Å; I555-F635 HydrophobicContact CD1-CG 4.16Å; D561-F635 HydrophobicContact CB-CE2 3.85Å; D561-F635 HydrophobicContact CB-CZ 3.61Å; L562-F635 HydrophobicContact CD1-CE2 4.44Å; L562-F635 HydrophobicContact CD2-CD1 4.37Å; L562-F635 HydrophobicContact CD2-CD2 4.21Å; L562-F635 HydrophobicContact CD2-CE1 4.06Å; L562-F635 HydrophobicContact CD2-CE2 3.91Å; L562-F635 HydrophobicContact CD2-CG 4.44Å; L562-F635 HydrophobicContact CD2-CZ 3.81Å; L562-F635 HydrophobicContact CG-CD2 4.18Å; L562-F635 HydrophobicContact CG-CE2 3.61Å; L562-F635 HydrophobicContact CG-CZ 3.82Å; I569-F635 HydrophobicContact CD1-CG 4.43Å; I569-F635 HydrophobicContact CG2-CE1 4.02Å; I569-F635 HydrophobicContact CG2-CE2 4.01Å; I569-F635 HydrophobicContact CG2-CZ 3.72Å; I598-F635 HydrophobicContact CD1-CD1 3.36Å; I598-F635 HydrophobicContact CD1-CE1 3.33Å; I598-F635 HydrophobicContact CD1-CG 4.37Å; I598-F635 HydrophobicContact CD1-CZ 4.3Å; I598-F635 HydrophobicContact CG1-CD1 4.4Å; K631-F635 PolarHBondContact O-N 3.4Å; V632-F635 PolarHBondContact O-N 3.17Å; F635-R637 PolarHBondContact O-N 2.95Å; F635-D638 PolarHBondContact O-N 3.26Å; F635-R639 HydrophobicContact CE1-CB 4.42Å; F635-R639 WeakPolarHBondContact O-CB 3.43Å; F635-R639 PolarHBondContact O-N 2.94Å
636R89Confident86.9Confident89 Ų8954 Ų5434%0.33625%0.25SC..Hα-helixtrans-53.7-50.9173.4-76.9171.8172.6166.8-7.4111.8I598 V632 D633 A634 D638 R639 D640I598-R636 HydrophobicContact CG2-CG 3.55Å; I598-R636 PolarHBondContact O-NE 3.1Å; I598-R636 PolarHBondContact O-NH2 2.65Å; V632-R636 HydrophobicContact CG1-CG 4.38Å; V632-R636 WeakPolarHBondContact O-CB 2.98Å; V632-R636 WeakPolarHBondContact O-CG 3.14Å; V632-R636 PolarHBondContact O-N 3.36Å; D633-R636 IonicContact OD1-NH1 3.23Å; D633-R636 PolarHBondContact OD1-NH1 3Å; D633-R636 VanDerWaalsContact OD1-NH1 3.07Å; A634-R636 VanDerWaalsContact C-N 3.31Å; A634-R636 PolarHBondContact O-N 2.84Å; R636-D638 VanDerWaalsContact C-N 3.31Å; R636-D638 PolarHBondContact O-N 2.81Å; R636-R639 WeakPolarHBondContact O-CB 3.24Å; R636-R639 PolarHBondContact O-N 2.93Å; R636-D640 WeakPolarHBondContact O-CB 3.49Å; R636-D640 PolarHBondContact O-N 3.06Å
637R85.3Confident87.1Confident110 Ų11054.4 Ų54.442%0.41525%0.252SS..Hα-helixtrans-63.4-35178.8-72.1-179.1-69.9122.8-1.8113D633 A634 F635 H641D633-R637 PolarHBondContact O-NE 3.44Å; D633-R637 PolarHBondContact O-NH2 3.38Å; A634-R637 PolarHBondContact O-N 2.73Å; F635-R637 PolarHBondContact O-N 2.95Å; R637-H641 WeakPolarHBondContact O-CB 3.5Å; R637-H641 PolarHBondContact O-N 3.28Å
638D84.6Confident87Confident24 Ų2457.5 Ų57.513%0.12826%0.263CS..Hα-helixtrans-72-39.2176.6-58.8-45.3000111.4R558 L562 A634 F635 R636 H641 R642R558-D638 IonicContact CZ-OD2 3.8Å; R558-D638 VanDerWaalsContact CZ-OD2 3.27Å; R558-D638 IonicContact NH1-OD2 2.7Å; R558-D638 PolarHBondContact NH1-OD2 3.35Å; R558-D638 IonicContact NH2-OD2 3.59Å; R558-D638 PolarHBondContact NH2-OD2 3.5Å; L562-D638 HydrophobicContact CD1-CB 4.15Å; L562-D638 HydrophobicContact CD2-CB 3.65Å; A634-D638 PolarHBondContact O-N 3.03Å; A634-D638 VanDerWaalsContact O-N 3.08Å; A634-D638 VanDerWaalsContact O-OD2 3.12Å; F635-D638 PolarHBondContact O-N 3.26Å; R636-D638 VanDerWaalsContact C-N 3.31Å; R636-D638 PolarHBondContact O-N 2.81Å; D638-H641 PolarHBondContact O-N 2.79Å; D638-R642 WeakPolarHBondContact O-CB 3.19Å; D638-R642 PolarHBondContact O-N 3.43Å
639R88.5Confident86.8Confident36 Ų3660.2 Ų60.214%0.13629%0.285CS..Hα-helixtrans-60.8-46.6171.8-170-175.378.1160.12.8111L562 L565 E599 F635 R636 R642 L643L562-R639 HydrophobicContact CD2-CB 4.32Å; L565-R639 HydrophobicContact CD2-CG 3.82Å; E599-R639 IonicContact OE1-CZ 3.39Å; E599-R639 IonicContact OE1-NH1 3.81Å; E599-R639 PolarHBondContact OE1-NH1 3.07Å; E599-R639 IonicContact OE1-NH2 2.96Å; E599-R639 PolarHBondContact OE1-NH2 3.23Å; F635-R639 HydrophobicContact CE1-CB 4.42Å; F635-R639 WeakPolarHBondContact O-CB 3.43Å; F635-R639 PolarHBondContact O-N 2.94Å; R636-R639 WeakPolarHBondContact O-CB 3.24Å; R636-R639 PolarHBondContact O-N 2.93Å; R639-R642 WeakPolarHBondContact O-CB 3.33Å; R639-R642 PolarHBondContact O-N 3.1Å; R639-L643 HydrophobicContact CG-CD1 4.43Å; R639-L643 WeakPolarHBondContact O-CG 3.37Å; R639-L643 PolarHBondContact O-N 3.16Å
640D88Confident86.7Confident75 Ų7561.7 Ų61.740%0.40129%0.292SS..Hα-helixtrans-64.2-42178-61.4-20.7000111.1R636 R642 L643 L644R636-D640 WeakPolarHBondContact O-CB 3.49Å; R636-D640 PolarHBondContact O-N 3.06Å; D640-R642 VanDerWaalsContact C-N 3.33Å; D640-R642 PolarHBondContact O-N 3.09Å; D640-L643 WeakPolarHBondContact O-CB 3.34Å; D640-L643 PolarHBondContact O-N 3.33Å; D640-L644 WeakPolarHBondContact O-CD1 3.41Å; D640-L644 PolarHBondContact O-N 3.48Å
641H83.8Confident86.7Confident33 Ų3363.9 Ų63.915%0.15330%0.301CS..Hα-helixtrans-60.7-42.2172.9-170.5-84.5000111.8R525 R637 D638 L644 E645R525-H641 PolarHBondContact NH1-CD2 3.05Å; R525-H641 VanDerWaalsContact NH1-CD2 3.34Å; R525-H641 PolarHBondContact NH1-CE1 2.69Å; R525-H641 VanDerWaalsContact NH1-CE1 3.34Å; R525-H641 PolarHBondContact NH1-NE2 2.87Å; R637-H641 WeakPolarHBondContact O-CB 3.5Å; R637-H641 PolarHBondContact O-N 3.28Å; D638-H641 PolarHBondContact O-N 2.79Å; H641-L644 PolarHBondContact O-N 2.7Å; H641-E645 IonicContact CE1-OE1 2.65Å; H641-E645 PolarHBondContact CE1-OE1 2.72Å; H641-E645 IonicContact ND1-OE1 3.51Å; H641-E645 PolarHBondContact ND1-OE1 3.12Å; H641-E645 VanDerWaalsContact ND1-OE1 3.08Å; H641-E645 PolarHBondContact O-N 2.92Å
642R86Confident86.4Confident87 Ų8767 Ų6733%0.32832%0.316SS..Hα-helixtrans-66.1-37177.6-169.754.9163.2168.8-0.2112.2N563 L565 D638 R639 D640 E645 I646N563-R642 PolarHBondContact OD1-NH2 3.32Å; L565-R642 HydrophobicContact CD2-CB 4.42Å; L565-R642 HydrophobicContact CD2-CG 4.28Å; D638-R642 WeakPolarHBondContact O-CB 3.19Å; D638-R642 PolarHBondContact O-N 3.43Å; R639-R642 WeakPolarHBondContact O-CB 3.33Å; R639-R642 PolarHBondContact O-N 3.1Å; D640-R642 VanDerWaalsContact C-N 3.33Å; D640-R642 PolarHBondContact O-N 3.09Å; R642-E645 VanDerWaalsContact CD-OE2 3.27Å; R642-E645 WeakPolarHBondContact CD-OE2 3.4Å; R642-E645 IonicContact CZ-OE2 3.78Å; R642-E645 IonicContact NE-OE2 3.21Å; R642-E645 IonicContact NH1-OE2 2.79Å; R642-E645 PolarHBondContact NH1-OE2 3.24Å; R642-E645 PolarHBondContact O-N 2.94Å; R642-I646 HydrophobicContact CG-CD1 4.08Å; R642-I646 WeakPolarHBondContact O-CB 3.03Å; R642-I646 WeakPolarHBondContact O-CD1 3.44Å; R642-I646 VanDerWaalsContact O-CG1 3.26Å; R642-I646 WeakPolarHBondContact O-CG1 3.45Å; R642-I646 PolarHBondContact O-N 2.66Å
643L89Confident86Confident76 Ų7672 Ų7240%0.39834%0.339SS..Hα-helixtrans-63-41.2171-73.8167.1000111.9L565 R639 D640 I646 K647L565-L643 HydrophobicContact CD1-CD2 3.73Å; L565-L643 HydrophobicContact CD2-CD2 4.17Å; L565-L643 HydrophobicContact CD2-CG 4.09Å; R639-L643 HydrophobicContact CG-CD1 4.43Å; R639-L643 WeakPolarHBondContact O-CG 3.37Å; R639-L643 PolarHBondContact O-N 3.16Å; D640-L643 WeakPolarHBondContact O-CB 3.34Å; D640-L643 PolarHBondContact O-N 3.33Å; L643-I646 PolarHBondContact O-N 3.14Å; L643-K647 WeakPolarHBondContact O-CB 3.34Å; L643-K647 PolarHBondContact O-N 3.47Å
644L87.5Confident85.8Confident106 Ų10675 Ų7556%0.55535%0.352SS*.Hα-helixtrans-66.8-39174.1-91.978.2000112.7D640 H641 K647 R648D640-L644 WeakPolarHBondContact O-CD1 3.41Å; D640-L644 PolarHBondContact O-N 3.48Å; H641-L644 PolarHBondContact O-N 2.7Å; L644-K647 PolarHBondContact O-N 2.85Å; L644-R648 WeakPolarHBondContact O-CB 3.22Å; L644-R648 PolarHBondContact O-N 2.68Å
645E83.5Confident85.9Confident60 Ų6079.8 Ų79.828%0.2837%0.366SS..Hα-helixtrans-59.4-50.3171.9-76.1176.2-175.700111.4H641 R642 K647 R648 A649H641-E645 IonicContact CE1-OE1 2.65Å; H641-E645 PolarHBondContact CE1-OE1 2.72Å; H641-E645 IonicContact ND1-OE1 3.51Å; H641-E645 PolarHBondContact ND1-OE1 3.12Å; H641-E645 VanDerWaalsContact ND1-OE1 3.08Å; H641-E645 PolarHBondContact O-N 2.92Å; R642-E645 VanDerWaalsContact CD-OE2 3.27Å; R642-E645 WeakPolarHBondContact CD-OE2 3.4Å; R642-E645 IonicContact CZ-OE2 3.78Å; R642-E645 IonicContact NE-OE2 3.21Å; R642-E645 IonicContact NH1-OE2 2.79Å; R642-E645 PolarHBondContact NH1-OE2 3.24Å; R642-E645 PolarHBondContact O-N 2.94Å; E645-K647 VanDerWaalsContact C-N 3.31Å; E645-K647 PolarHBondContact O-N 3.19Å; E645-R648 PolarHBondContact O-N 2.65Å; E645-A649 WeakPolarHBondContact O-CB 3.38Å; E645-A649 PolarHBondContact O-N 2.78Å
646I87.9Confident85.7Confident52 Ų5283.2 Ų83.227%0.26738%0.383SS..Hα-helixtrans-64-37.4-179.8-68.9164.8000111L565 R642 L643 K650L565-I646 HydrophobicContact CD1-CD1 4.22Å; R642-I646 HydrophobicContact CG-CD1 4.08Å; R642-I646 WeakPolarHBondContact O-CB 3.03Å; R642-I646 WeakPolarHBondContact O-CD1 3.44Å; R642-I646 VanDerWaalsContact O-CG1 3.26Å; R642-I646 WeakPolarHBondContact O-CG1 3.45Å; R642-I646 PolarHBondContact O-N 2.66Å; L643-I646 PolarHBondContact O-N 3.14Å; I646-K650 HydrophobicContact CG2-CD 4.33Å; I646-K650 VanDerWaalsContact O-CG 3.31Å; I646-K650 WeakPolarHBondContact O-CG 3.35Å; I646-K650 PolarHBondContact O-N 2.84Å; I646-K650 VanDerWaalsContact O-N 3.14Å
647K88.9Confident85.6Confident127 Ų12786.3 Ų86.355%0.55240%0.395SS*.Hα-helixtrans-64-49.9174.3-174.6172.4-174.9-73.30111.2L643 L644 E645 A649 K650 E651L643-K647 WeakPolarHBondContact O-CB 3.34Å; L643-K647 PolarHBondContact O-N 3.47Å; L644-K647 PolarHBondContact O-N 2.85Å; E645-K647 VanDerWaalsContact C-N 3.31Å; E645-K647 PolarHBondContact O-N 3.19Å; K647-A649 PolarHBondContact O-N 2.94Å; K647-K650 PolarHBondContact O-N 2.87Å; K647-E651 IonicContact NZ-OE1 2.78Å; K647-E651 PolarHBondContact NZ-OE1 2.88Å; K647-E651 WeakPolarHBondContact O-CG 3.45Å; K647-E651 PolarHBondContact O-N 2.96Å
648R83.9Confident85.5Confident74 Ų7486.2 Ų86.228%0.27940%0.399SS..Hα-helixtrans-64-39.7179.5-169.2-171.8-66.6131.9-16112.4R527 E530 L644 E645 K650 E651 E652R527-R648 VanDerWaalsContact CZ-CZ 3.49Å; R527-R648 VanDerWaalsContact NH1-NH1 3.13Å; E530-R648 IonicContact OE1-CZ 3.07Å; E530-R648 IonicContact OE1-NH1 3.45Å; E530-R648 PolarHBondContact OE1-NH1 3.32Å; E530-R648 IonicContact OE1-NH2 2.59Å; E530-R648 PolarHBondContact OE1-NH2 2.65Å; L644-R648 WeakPolarHBondContact O-CB 3.22Å; L644-R648 PolarHBondContact O-N 2.68Å; E645-R648 PolarHBondContact O-N 2.65Å; R648-K650 VanDerWaalsContact C-N 3.3Å; R648-K650 PolarHBondContact O-N 3.46Å; R648-E651 PolarHBondContact O-N 2.8Å; R648-E652 WeakPolarHBondContact O-CB 3.32Å; R648-E652 PolarHBondContact O-N 3.04Å
649A85.4Confident85.3Confident57 Ų5788.8 Ų88.847%0.47141%0.411SS..Hα-helixtrans-62.8-37176.100000111.9E645 K647 E652 E653E645-A649 WeakPolarHBondContact O-CB 3.38Å; E645-A649 PolarHBondContact O-N 2.78Å; K647-A649 PolarHBondContact O-N 2.94Å; A649-E652 PolarHBondContact O-N 2.84Å; A649-E653 WeakPolarHBondContact O-CB 3.49Å; A649-E653 PolarHBondContact O-N 2.99Å
650K87.7Confident85.1Confident134 Ų13489.9 Ų89.958%0.58343%0.427SS*.Hα-helixtrans-68.5-42.8172.8-73.1172.2179.6-179.10112.4I646 K647 R648 E652 E653 E654I646-K650 HydrophobicContact CG2-CD 4.33Å; I646-K650 VanDerWaalsContact O-CG 3.31Å; I646-K650 WeakPolarHBondContact O-CG 3.35Å; I646-K650 PolarHBondContact O-N 2.84Å; I646-K650 VanDerWaalsContact O-N 3.14Å; K647-K650 PolarHBondContact O-N 2.87Å; R648-K650 VanDerWaalsContact C-N 3.3Å; R648-K650 PolarHBondContact O-N 3.46Å; K650-E652 VanDerWaalsContact C-N 3.26Å; K650-E652 PolarHBondContact O-N 3.14Å; K650-E653 PolarHBondContact O-N 2.98Å; K650-E654 WeakPolarHBondContact O-CB 3.49Å; K650-E654 PolarHBondContact O-N 3.21Å
651E84.4Confident85Confident84 Ų8493.1 Ų93.139%0.39344%0.44SS..Hα-helixtrans-62.2-33.2175-69.6166.6166.300112.2K647 R648 R655K647-E651 IonicContact NZ-OE1 2.78Å; K647-E651 PolarHBondContact NZ-OE1 2.88Å; K647-E651 WeakPolarHBondContact O-CG 3.45Å; K647-E651 PolarHBondContact O-N 2.96Å; R648-E651 PolarHBondContact O-N 2.8Å; E651-R655 WeakPolarHBondContact O-CB 3.43Å; E651-R655 WeakPolarHBondContact O-CG 3.37Å; E651-R655 PolarHBondContact O-N 3.19Å; E651-R655 VanDerWaalsContact O-N 3.09Å
652E80.7Confident85.1Confident108 Ų10896.4 Ų96.451%0.50546%0.458SS..Hα-helixtrans-77.7-40.3176-169.9153-134.800112.3R648 A649 K650 E654 R655 I656R648-E652 WeakPolarHBondContact O-CB 3.32Å; R648-E652 PolarHBondContact O-N 3.04Å; A649-E652 PolarHBondContact O-N 2.84Å; K650-E652 VanDerWaalsContact C-N 3.26Å; K650-E652 PolarHBondContact O-N 3.14Å; E652-E654 VanDerWaalsContact C-N 3.35Å; E652-R655 PolarHBondContact O-N 3.06Å; E652-I656 HydrophobicContact CG-CD1 4.24Å; E652-I656 VanDerWaalsContact O-CG1 3.27Å; E652-I656 WeakPolarHBondContact O-CG1 3.49Å; E652-I656 PolarHBondContact O-N 3.42Å
653E81.7Confident85Confident107 Ų10799.4 Ų99.450%0.547%0.473SS..Hα-helixtrans-62.4-41.2171.2-164.2-157.9137.200111.7A649 K650 I656 R657A649-E653 WeakPolarHBondContact O-CB 3.49Å; A649-E653 PolarHBondContact O-N 2.99Å; K650-E653 PolarHBondContact O-N 2.98Å; E653-I656 PolarHBondContact O-N 3.01Å; E653-R657 VanDerWaalsContact O-CB 3.32Å; E653-R657 WeakPolarHBondContact O-CB 3.36Å; E653-R657 PolarHBondContact O-N 3.14Å; E653-R657 IonicContact OE1-CZ 2.76Å; E653-R657 IonicContact OE1-NH2 3.21Å; E653-R657 PolarHBondContact OE1-NH2 3.35Å
654E85.4Confident84.8Confident119 Ų119100.4 Ų100.456%0.55648%0.476SS*.Hα-helixtrans-61.9-48.8176.1-173.4161.3-132.200110.7K650 E652 I656 R657 E658K650-E654 WeakPolarHBondContact O-CB 3.49Å; K650-E654 PolarHBondContact O-N 3.21Å; E652-E654 VanDerWaalsContact C-N 3.35Å; E654-I656 PolarHBondContact O-N 3.36Å; E654-R657 WeakPolarHBondContact O-CB 3.49Å; E654-R657 PolarHBondContact O-N 3.22Å; E654-R657 VanDerWaalsContact O-N 3.13Å; E654-E658 WeakPolarHBondContact O-CG 3.27Å; E654-E658 PolarHBondContact O-N 2.83Å
655R83.4Confident84.6Confident117 Ų117100.6 Ų100.644%0.44247%0.473SS..Hα-helixtrans-59.6-40.4173-82.3-170.961.5-97-18.3114E651 E652 R657 E659E651-R655 WeakPolarHBondContact O-CB 3.43Å; E651-R655 WeakPolarHBondContact O-CG 3.37Å; E651-R655 PolarHBondContact O-N 3.19Å; E651-R655 VanDerWaalsContact O-N 3.09Å; E652-R655 PolarHBondContact O-N 3.06Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R655-E659 WeakPolarHBondContact O-CB 3.19Å; R655-E659 PolarHBondContact O-N 2.89Å
656I85.8Confident84.5Confident73 Ų73103.1 Ų103.137%0.37449%0.489SS..Hα-helixtrans-66.8-35.1177.4-70.9165.7000110.3E652 E653 E654 A660E652-I656 HydrophobicContact CG-CD1 4.24Å; E652-I656 VanDerWaalsContact O-CG1 3.27Å; E652-I656 WeakPolarHBondContact O-CG1 3.49Å; E652-I656 PolarHBondContact O-N 3.42Å; E653-I656 PolarHBondContact O-N 3.01Å; E654-I656 PolarHBondContact O-N 3.36Å; I656-A660 WeakPolarHBondContact O-CB 3.35Å; I656-A660 PolarHBondContact O-N 2.89Å
657R85.6Confident84.4Confident154 Ų154106.6 Ų106.658%0.58150%0.498SS*.Hα-helixtrans-69.2-45.5175.4-166.9-173.9-61.4178.90.5112E653 E654 R655 E659 A660 E661E653-R657 VanDerWaalsContact O-CB 3.32Å; E653-R657 WeakPolarHBondContact O-CB 3.36Å; E653-R657 PolarHBondContact O-N 3.14Å; E653-R657 IonicContact OE1-CZ 2.76Å; E653-R657 IonicContact OE1-NH2 3.21Å; E653-R657 PolarHBondContact OE1-NH2 3.35Å; E654-R657 WeakPolarHBondContact O-CB 3.49Å; E654-R657 PolarHBondContact O-N 3.22Å; E654-R657 VanDerWaalsContact O-N 3.13Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R657-E659 VanDerWaalsContact C-N 3.35Å; R657-E659 PolarHBondContact O-N 3.36Å; R657-A660 PolarHBondContact O-N 2.89Å; R657-E661 PolarHBondContact O-N 2.99Å
658E83.4Confident84.2Confident107 Ų107105 Ų10550%0.550%0.495SS..Hα-helixtrans-57.3-46172.7-72178.715200111.4E654 A660 E661 I662E654-E658 WeakPolarHBondContact O-CG 3.27Å; E654-E658 PolarHBondContact O-N 2.83Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 2.69Å; E658-E661 PolarHBondContact O-N 3.49Å; E658-I662 WeakPolarHBondContact O-CB 3.32Å; E658-I662 VanDerWaalsContact O-CG1 3.28Å; E658-I662 WeakPolarHBondContact O-CG1 3.38Å; E658-I662 PolarHBondContact O-N 2.87Å
659E81Confident84.1Confident79 Ų79108.9 Ų108.937%0.36951%0.51SS..Hα-helixtrans-66-37178.3-165.7-176.8140.600112R655 R657 K663 Q1266R655-E659 WeakPolarHBondContact O-CB 3.19Å; R655-E659 PolarHBondContact O-N 2.89Å; R657-E659 VanDerWaalsContact C-N 3.35Å; R657-E659 PolarHBondContact O-N 3.36Å; E659-K663 WeakPolarHBondContact O-CB 3.12Å; E659-K663 PolarHBondContact O-N 3.25Å; E659-Q1266 VanDerWaalsContact CD-NE2 3.3Å; E659-Q1266 PolarHBondContact OE1-NE2 3.35Å; E659-Q1266 PolarHBondContact OE2-NE2 2.93Å
660A84.5Confident84Confident58 Ų58108.9 Ų108.948%0.47951%0.51SS..Hα-helixtrans-65.1-40.7173.700000112.3I656 R657 E658 K663 E664I656-A660 WeakPolarHBondContact O-CB 3.35Å; I656-A660 PolarHBondContact O-N 2.89Å; R657-A660 PolarHBondContact O-N 2.89Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 2.69Å; A660-K663 PolarHBondContact O-N 2.88Å; A660-E664 PolarHBondContact O-N 3.36Å
661E86.5Confident83.8Confident143 Ų143105.4 Ų105.467%0.66850%0.496SS*.Hα-helixtrans-66.7-46176.8-173.7166.4-172.800111.7R657 E658 K663 E664 E665R657-E661 PolarHBondContact O-N 2.99Å; E658-E661 PolarHBondContact O-N 3.49Å; E661-K663 VanDerWaalsContact C-N 3.27Å; E661-K663 PolarHBondContact O-N 2.76Å; E661-E664 PolarHBondContact O-N 3.4Å; E661-E664 VanDerWaalsContact O-N 3.13Å; E661-E665 PolarHBondContact O-N 3.31Å
662I84.2Confident83.9Confident103 Ų103104 Ų10453%0.52850%0.499SS..Hα-helixtrans-58.3-40.2173.4-70.4165.2000111.2E658 E665 L666E658-I662 WeakPolarHBondContact O-CB 3.32Å; E658-I662 VanDerWaalsContact O-CG1 3.28Å; E658-I662 WeakPolarHBondContact O-CG1 3.38Å; E658-I662 PolarHBondContact O-N 2.87Å; I662-E665 PolarHBondContact O-N 3.18Å; I662-L666 HydrophobicContact CG2-CD1 4.13Å; I662-L666 WeakPolarHBondContact O-CB 3.32Å; I662-L666 PolarHBondContact O-N 2.9Å
663K83.9Confident83.9Confident150 Ų150105.5 Ų105.565%0.65250%0.504SS*.Hα-helixtrans-69.3-33.3177.8-173.7176.1-176174.50112.5E659 A660 E661 R667E659-K663 WeakPolarHBondContact O-CB 3.12Å; E659-K663 PolarHBondContact O-N 3.25Å; A660-K663 PolarHBondContact O-N 2.88Å; E661-K663 VanDerWaalsContact C-N 3.27Å; E661-K663 PolarHBondContact O-N 2.76Å; K663-R667 PolarHBondContact O-N 3.12Å; K663-R667 VanDerWaalsContact O-N 3.13Å
664E85.1Confident83.9Confident97 Ų97107 Ų10745%0.45351%0.511SS..Hα-helixtrans-72.2-42171179.9133.7-116.500111.9A660 E661 L666 R667 L668A660-E664 PolarHBondContact O-N 3.36Å; E661-E664 PolarHBondContact O-N 3.4Å; E661-E664 VanDerWaalsContact O-N 3.13Å; E664-L666 VanDerWaalsContact C-N 3.34Å; E664-L666 PolarHBondContact O-N 3.39Å; E664-R667 WeakPolarHBondContact O-CB 3.37Å; E664-R667 PolarHBondContact O-N 3.27Å; E664-R667 VanDerWaalsContact O-N 3.11Å; E664-R667 IonicContact OE1-CZ 3.07Å; E664-R667 IonicContact OE1-NE 3.94Å; E664-R667 IonicContact OE1-NH2 2.78Å; E664-R667 PolarHBondContact OE1-NH2 3.21Å; E664-L668 HydrophobicContact CG-CD1 4.04Å; E664-L668 HydrophobicContact CG-CG 4.36Å; E664-L668 WeakPolarHBondContact O-CG 3.28Å; E664-L668 PolarHBondContact O-N 2.97Å
665E82.9Confident83.7Confident109 Ų109107.1 Ų107.151%0.50951%0.509SS..Hα-helixtrans-59.4-45.8174.2-162-144.9133.900110.9E661 I662 R667 L668 R669E661-E665 PolarHBondContact O-N 3.31Å; I662-E665 PolarHBondContact O-N 3.18Å; E665-R667 VanDerWaalsContact C-N 3.29Å; E665-R667 PolarHBondContact O-N 3.41Å; E665-L668 PolarHBondContact O-N 2.82Å; E665-R669 VanDerWaalsContact O-CB 3.22Å; E665-R669 WeakPolarHBondContact O-CB 3.34Å; E665-R669 PolarHBondContact O-N 3.42Å; E665-R669 IonicContact OE1-NH1 2.72Å; E665-R669 PolarHBondContact OE1-NH1 2.75Å
666L81.9Confident83.6Confident114 Ų114107.7 Ų107.760%0.59752%0.517SS*.Hα-helixtrans-57.9-39.6174.3-92.7158.3000112.5I662 E664 A670I662-L666 HydrophobicContact CG2-CD1 4.13Å; I662-L666 WeakPolarHBondContact O-CB 3.32Å; I662-L666 PolarHBondContact O-N 2.9Å; E664-L666 VanDerWaalsContact C-N 3.34Å; E664-L666 PolarHBondContact O-N 3.39Å; L666-A670 WeakPolarHBondContact O-CB 3.47Å; L666-A670 PolarHBondContact O-N 3.39Å
667R85.9Confident83.3Confident125 Ų125111.1 Ų111.147%0.47253%0.529SS..Hα-helixtrans-66.3-49.9175.3-174.817870.7100.4-12.8111.6K663 E664 E665 R669 A670 E671K663-R667 PolarHBondContact O-N 3.12Å; K663-R667 VanDerWaalsContact O-N 3.13Å; E664-R667 WeakPolarHBondContact O-CB 3.37Å; E664-R667 PolarHBondContact O-N 3.27Å; E664-R667 VanDerWaalsContact O-N 3.11Å; E664-R667 IonicContact OE1-CZ 3.07Å; E664-R667 IonicContact OE1-NE 3.94Å; E664-R667 IonicContact OE1-NH2 2.78Å; E664-R667 PolarHBondContact OE1-NH2 3.21Å; E665-R667 VanDerWaalsContact C-N 3.29Å; E665-R667 PolarHBondContact O-N 3.41Å; R667-R669 VanDerWaalsContact C-N 3.26Å; R667-R669 PolarHBondContact O-N 2.83Å; R667-A670 WeakPolarHBondContact O-CB 3.38Å; R667-A670 PolarHBondContact O-N 2.89Å; R667-A670 VanDerWaalsContact O-N 3.12Å; R667-E671 IonicContact CZ-OE1 3.57Å; R667-E671 IonicContact NH1-OE1 2.84Å; R667-E671 PolarHBondContact NH1-OE1 3.38Å; R667-E671 PolarHBondContact O-N 2.93Å
668L85Confident83Confident94 Ų94110.4 Ų110.449%0.49253%0.533SS..Hα-helixtrans-60.1-37.4177.9-69.9170.5000111.6E664 E665 E671 A672E664-L668 HydrophobicContact CG-CD1 4.04Å; E664-L668 HydrophobicContact CG-CG 4.36Å; E664-L668 WeakPolarHBondContact O-CG 3.28Å; E664-L668 PolarHBondContact O-N 2.97Å; E665-L668 PolarHBondContact O-N 2.82Å; L668-E671 PolarHBondContact O-N 3.33Å; L668-A672 WeakPolarHBondContact O-CB 3.22Å; L668-A672 PolarHBondContact O-N 2.86Å
669R81.8Confident83Confident154 Ų154114.4 Ų114.458%0.58154%0.543SS*.Hα-helixtrans-72.8-29.8176.7-163.2168.4-172.5162.4-2.7113E665 R667 K673E665-R669 VanDerWaalsContact O-CB 3.22Å; E665-R669 WeakPolarHBondContact O-CB 3.34Å; E665-R669 PolarHBondContact O-N 3.42Å; E665-R669 IonicContact OE1-NH1 2.72Å; E665-R669 PolarHBondContact OE1-NH1 2.75Å; R667-R669 VanDerWaalsContact C-N 3.26Å; R667-R669 PolarHBondContact O-N 2.83Å; R669-K673 WeakPolarHBondContact O-CG 3.23Å; R669-K673 PolarHBondContact O-N 3.34Å
670A83.1Confident82.9Confident58 Ų58115.7 Ų115.748%0.47955%0.552SS.*Hα-helixtrans-69.8-48.5169.400000111.4L666 R667 A672 K673 E674L666-A670 WeakPolarHBondContact O-CB 3.47Å; L666-A670 PolarHBondContact O-N 3.39Å; R667-A670 WeakPolarHBondContact O-CB 3.38Å; R667-A670 PolarHBondContact O-N 2.89Å; R667-A670 VanDerWaalsContact O-N 3.12Å; A670-A672 VanDerWaalsContact C-N 3.26Å; A670-A672 PolarHBondContact O-N 3.49Å; A670-K673 PolarHBondContact O-N 2.74Å; A670-K673 VanDerWaalsContact O-N 3.15Å; A670-E674 PolarHBondContact O-N 3.27Å
671E84.6Confident82.7Confident61 Ų61118.4 Ų118.429%0.28555%0.554SS.*Hα-helixtrans-59.6-35.1175.4-71.1-176.5-148.200112.5R667 L668 K675R667-E671 IonicContact CZ-OE1 3.57Å; R667-E671 IonicContact NH1-OE1 2.84Å; R667-E671 PolarHBondContact NH1-OE1 3.38Å; R667-E671 PolarHBondContact O-N 2.93Å; L668-E671 PolarHBondContact O-N 3.33Å; E671-K675 WeakPolarHBondContact O-CD 2.89Å; E671-K675 VanDerWaalsContact O-CG 3.29Å; E671-K675 WeakPolarHBondContact O-CG 3.41Å; E671-K675 PolarHBondContact O-N 3.1Å; E671-K675 VanDerWaalsContact O-N 3.08Å; E671-K675 IonicContact OE2-NZ 3.79Å; E671-K675 PolarHBondContact OE2-NZ 2.75Å
672A85.2Confident82.3Confident55 Ų55118.5 Ų118.546%0.45555%0.553SS.*Hα-helixtrans-66.2-45.1174.200000112.3L668 A670 E674 K675 E676L668-A672 WeakPolarHBondContact O-CB 3.22Å; L668-A672 PolarHBondContact O-N 2.86Å; A670-A672 VanDerWaalsContact C-N 3.26Å; A670-A672 PolarHBondContact O-N 3.49Å; A672-E674 VanDerWaalsContact C-N 3.32Å; A672-E674 PolarHBondContact O-N 3.19Å; A672-K675 PolarHBondContact O-N 3.32Å; A672-E676 WeakPolarHBondContact O-CB 3.38Å; A672-E676 PolarHBondContact O-N 2.88Å
673K81.5Confident82.1Confident138 Ų138117.4 Ų117.460%0.655%0.545SS*.Hα-helixtrans-63.4-35.7175-77.8178.9175-177.30112.6R669 A670 E676 K677R669-K673 WeakPolarHBondContact O-CG 3.23Å; R669-K673 PolarHBondContact O-N 3.34Å; A670-K673 PolarHBondContact O-N 2.74Å; A670-K673 VanDerWaalsContact O-N 3.15Å; K673-E676 PolarHBondContact O-N 3.2Å; K673-K677 WeakPolarHBondContact O-CB 3.16Å; K673-K677 PolarHBondContact O-N 3.43Å
674E80.4Confident81.9Confident139 Ų139119.7 Ų119.765%0.6555%0.55SS*.Hα-helixtrans-66.4-47.3175.9-173.7165.3-140.900111.4A670 A672 E676 K677 E678A670-E674 PolarHBondContact O-N 3.27Å; A672-E674 VanDerWaalsContact C-N 3.32Å; A672-E674 PolarHBondContact O-N 3.19Å; E674-E676 VanDerWaalsContact C-N 3.31Å; E674-E676 PolarHBondContact O-N 2.74Å; E674-K677 PolarHBondContact O-N 3.19Å; E674-E678 PolarHBondContact O-N 3.34Å
675K82Confident81.4Confident122 Ų122120.4 Ų120.453%0.5356%0.556SS.*Hα-helixtrans-62.4-34.8174.6-70.4160.6-171.9151.90112.5E671 A672 R679E671-K675 WeakPolarHBondContact O-CD 2.89Å; E671-K675 VanDerWaalsContact O-CG 3.29Å; E671-K675 WeakPolarHBondContact O-CG 3.41Å; E671-K675 PolarHBondContact O-N 3.1Å; E671-K675 VanDerWaalsContact O-N 3.08Å; E671-K675 IonicContact OE2-NZ 3.79Å; E671-K675 PolarHBondContact OE2-NZ 2.75Å; A672-K675 PolarHBondContact O-N 3.32Å; K675-R679 VanDerWaalsContact O-CB 3.31Å; K675-R679 WeakPolarHBondContact O-CB 3.4Å; K675-R679 PolarHBondContact O-N 2.81Å
676E81.3Confident81.1Confident128 Ų128121.5 Ų121.560%0.59856%0.561SS**Hα-helixtrans-67.6-44.9172.8-177.2172.4-144.300112A672 K673 E674 R679 L680A672-E676 WeakPolarHBondContact O-CB 3.38Å; A672-E676 PolarHBondContact O-N 2.88Å; K673-E676 PolarHBondContact O-N 3.2Å; E674-E676 VanDerWaalsContact C-N 3.31Å; E674-E676 PolarHBondContact O-N 2.74Å; E676-R679 PolarHBondContact O-N 3.22Å; E676-L680 PolarHBondContact O-N 3.04Å
677K80Confident80.8Confident146 Ų146122.4 Ų122.464%0.63556%0.561SS**Hα-helixtrans-61.3-45.8175.9-177.8-172.4171.7-1670111.7K673 E674 R679 L680 E681K673-K677 WeakPolarHBondContact O-CB 3.16Å; K673-K677 PolarHBondContact O-N 3.43Å; E674-K677 PolarHBondContact O-N 3.19Å; K677-R679 VanDerWaalsContact C-N 3.32Å; K677-R679 PolarHBondContact O-N 2.99Å; K677-L680 PolarHBondContact O-N 3.17Å; K677-E681 WeakPolarHBondContact O-CB 3.3Å; K677-E681 PolarHBondContact O-N 2.82Å
678E79.2Confident80.3Confident139 Ų139124 Ų12465%0.6557%0.571SS**Hα-helixtrans-61-41.7176.3-170.9-173.1-163.400111.2E674 E681 K682E674-E678 PolarHBondContact O-N 3.34Å; E678-E681 PolarHBondContact O-N 2.79Å; E678-K682 WeakPolarHBondContact O-CB 3.25Å; E678-K682 PolarHBondContact O-N 2.82Å
679R82.3Confident79.7Confident191 Ų191122.5 Ų122.572%0.72157%0.572SS**Hα-helixtrans-63.1-42.8174.7-175.3179.4177.3-168.9-1.4112.3K675 E676 K677 K682 E683K675-R679 VanDerWaalsContact O-CB 3.31Å; K675-R679 WeakPolarHBondContact O-CB 3.4Å; K675-R679 PolarHBondContact O-N 2.81Å; E676-R679 PolarHBondContact O-N 3.22Å; K677-R679 VanDerWaalsContact C-N 3.32Å; K677-R679 PolarHBondContact O-N 2.99Å; R679-K682 PolarHBondContact O-N 2.83Å; R679-E683 WeakPolarHBondContact O-CB 3.4Å; R679-E683 PolarHBondContact O-N 2.88Å
680L79.6Confident79Confident105 Ų105117.9 Ų117.955%0.5557%0.567SS.*Hα-helixtrans-66.6-37.8175.8-100.3166.7000112.6E676 K677 E683 R684E676-L680 PolarHBondContact O-N 3.04Å; K677-L680 PolarHBondContact O-N 3.17Å; L680-E683 PolarHBondContact O-N 2.97Å; L680-R684 VanDerWaalsContact O-CB 3.28Å; L680-R684 WeakPolarHBondContact O-CB 3.44Å; L680-R684 PolarHBondContact O-N 3.43Å
681E79.5Confident78.2Confident115 Ų115118.6 Ų118.654%0.53757%0.572SS.*Hα-helixtrans-68.8-40.8175.1-178.2154.2-160.300111.5K677 E678 R684 L685K677-E681 WeakPolarHBondContact O-CB 3.3Å; K677-E681 PolarHBondContact O-N 2.82Å; E678-E681 PolarHBondContact O-N 2.79Å; E681-R684 PolarHBondContact O-N 2.95Å; E681-L685 HydrophobicContact CG-CD1 4.41Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 PolarHBondContact O-N 2.95Å
682K79.8Confident77.1Confident145 Ų145119.1 Ų119.163%0.6359%0.587SS**Hα-helixtrans-60.8-45.7171.5-173.6174.5-179176.30111.8E678 R679 R684 L685 E686E678-K682 WeakPolarHBondContact O-CB 3.25Å; E678-K682 PolarHBondContact O-N 2.82Å; R679-K682 PolarHBondContact O-N 2.83Å; K682-R684 VanDerWaalsContact C-N 3.3Å; K682-R684 PolarHBondContact O-N 3Å; K682-L685 PolarHBondContact O-N 2.84Å; K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 PolarHBondContact O-N 2.94Å
683E78.7Confident75.9Confident80 Ų80119.6 Ų119.637%0.37459%0.591SS.*Hα-helixtrans-64.9-34.3175.8-163.5-168.3127.500111.8R679 L680 E686 K687R679-E683 WeakPolarHBondContact O-CB 3.4Å; R679-E683 PolarHBondContact O-N 2.88Å; L680-E683 PolarHBondContact O-N 2.97Å; E683-E686 PolarHBondContact O-N 2.8Å; E683-K687 HydrophobicContact CG-CD 4.39Å; E683-K687 VanDerWaalsContact O-CB 3.3Å; E683-K687 WeakPolarHBondContact O-CB 3.39Å; E683-K687 WeakPolarHBondContact O-CG 3.47Å; E683-K687 PolarHBondContact O-N 3.27Å; E683-K687 VanDerWaalsContact OE1-CE 3.27Å; E683-K687 WeakPolarHBondContact OE1-CE 3.32Å; E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.85Å
684R79.2Confident74.7Confident199 Ų199117 Ų11775%0.75160%0.595SS**Hα-helixtrans-69.9-38.9174.5-173175.1-176.9167.51.1112.2L680 E681 K682 K688L680-R684 VanDerWaalsContact O-CB 3.28Å; L680-R684 WeakPolarHBondContact O-CB 3.44Å; L680-R684 PolarHBondContact O-N 3.43Å; E681-R684 PolarHBondContact O-N 2.95Å; K682-R684 VanDerWaalsContact C-N 3.3Å; K682-R684 PolarHBondContact O-N 3Å; R684-K688 VanDerWaalsContact O-CB 3.27Å; R684-K688 WeakPolarHBondContact O-CB 3.3Å; R684-K688 PolarHBondContact O-N 3.04Å
685L76.3Confident73.4Confident112 Ų112114.3 Ų114.359%0.58660%0.597SS**Hα-helixtrans-64.4-43.9171.3-92160.6000111.2E681 K682 K688 A689E681-L685 HydrophobicContact CG-CD1 4.41Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 PolarHBondContact O-N 2.95Å; K682-L685 PolarHBondContact O-N 2.84Å; L685-K688 CarbonylContact O-C 3.56Å; L685-K688 PolarHBondContact O-N 3.01Å; L685-A689 WeakPolarHBondContact O-CB 3.33Å; L685-A689 PolarHBondContact O-N 2.71Å
686E76.7Confident71.5Confident131 Ų131115.2 Ų115.261%0.61261%0.608SS**Hα-helixtrans-66.3-41.8177.6-171163.3-158.300111.8K682 E683 K688 A689 A690K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 PolarHBondContact O-N 2.94Å; E683-E686 PolarHBondContact O-N 2.8Å; E686-K688 VanDerWaalsContact C-N 3.34Å; E686-K688 PolarHBondContact O-N 3.31Å; E686-A689 PolarHBondContact O-N 2.83Å; E686-A690 VanDerWaalsContact O-CB 3.25Å; E686-A690 WeakPolarHBondContact O-CB 2.95Å; E686-A690 PolarHBondContact O-N 2.79Å
687K75.7Confident69.6Low134 Ų134114.7 Ų114.758%0.58362%0.615SS**Hα-helixtrans-63.7-35.5170.6-80171.3170.3168.50112.7E683 A691E683-K687 HydrophobicContact CG-CD 4.39Å; E683-K687 VanDerWaalsContact O-CB 3.3Å; E683-K687 WeakPolarHBondContact O-CB 3.39Å; E683-K687 WeakPolarHBondContact O-CG 3.47Å; E683-K687 PolarHBondContact O-N 3.27Å; E683-K687 VanDerWaalsContact OE1-CE 3.27Å; E683-K687 WeakPolarHBondContact OE1-CE 3.32Å; E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.85Å; K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 2.83Å
688K73.7Confident67.8Low159 Ų159115.5 Ų115.569%0.69163%0.627SS**Hα-helixtrans-72.6-36.3175.8-164.7177.4-176.8-174.40111.9R684 L685 E686 A692R684-K688 VanDerWaalsContact O-CB 3.27Å; R684-K688 WeakPolarHBondContact O-CB 3.3Å; R684-K688 PolarHBondContact O-N 3.04Å; L685-K688 CarbonylContact O-C 3.56Å; L685-K688 PolarHBondContact O-N 3.01Å; E686-K688 VanDerWaalsContact C-N 3.34Å; E686-K688 PolarHBondContact O-N 3.31Å; K688-A692 PolarHBondContact O-N 3Å; K688-A692 VanDerWaalsContact O-N 3.09Å
689A72.4Confident66Low61 Ų61113.4 Ų113.450%0.50463%0.625SS.*Hα-helixtrans-68.8-41.117200000111.6L685 E686 A692 A693L685-A689 WeakPolarHBondContact O-CB 3.33Å; L685-A689 PolarHBondContact O-N 2.71Å; E686-A689 PolarHBondContact O-N 2.83Å; A689-A692 CarbonylContact O-C 3.6Å; A689-A692 PolarHBondContact O-N 3.4Å; A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.15Å
690A68Low64.1Low58 Ų58110.6 Ų110.648%0.47963%0.629SS.*Hα-helixtrans-64.8-39.4174.200000111.9E686 A692 A693 A694E686-A690 VanDerWaalsContact O-CB 3.25Å; E686-A690 WeakPolarHBondContact O-CB 2.95Å; E686-A690 PolarHBondContact O-N 2.79Å; A690-A692 VanDerWaalsContact C-N 3.31Å; A690-A692 PolarHBondContact O-N 3.4Å; A690-A693 PolarHBondContact O-N 2.97Å; A690-A694 VanDerWaalsContact O-CB 3.27Å; A690-A694 WeakPolarHBondContact O-CB 3.38Å; A690-A694 PolarHBondContact O-N 3.36Å
691A67.1Low62.3Low72 Ų72111 Ų11160%0.59564%0.638SS**Hα-helixtrans-64.5-34172.600000112.7K687K687-A691 WeakPolarHBondContact O-CB 3.45Å; K687-A691 PolarHBondContact O-N 2.83Å
692A61Low60.4Low72 Ų72112.6 Ų112.660%0.59565%0.649SS**Hα-helixtrans-74.1-37.1172.600000112.7K688 A689 A690 A695K688-A692 PolarHBondContact O-N 3Å; K688-A692 VanDerWaalsContact O-N 3.09Å; A689-A692 CarbonylContact O-C 3.6Å; A689-A692 PolarHBondContact O-N 3.4Å; A690-A692 VanDerWaalsContact C-N 3.31Å; A690-A692 PolarHBondContact O-N 3.4Å; A692-A695 WeakPolarHBondContact O-CB 3.39Å; A692-A695 PolarHBondContact O-N 3.39Å
693A60.1Low59Low65 Ų65111 Ų11154%0.53765%0.653SS.*Hα-helixtrans-74.1-31178.500000112.8A689 A690 A695 N696A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.15Å; A690-A693 PolarHBondContact O-N 2.97Å; A693-A695 PolarHBondContact O-N 2.97Å; A693-N696 PolarHBondContact O-N 3.43Å
694A56.1Low57.6Low83 Ų83112 Ų11269%0.68667%0.667SS**THydrogen-bonded Turntrans-61.1-12.3173.800000113.5A690 N696A690-A694 VanDerWaalsContact O-CB 3.27Å; A690-A694 WeakPolarHBondContact O-CB 3.38Å; A690-A694 PolarHBondContact O-N 3.36Å; A694-N696 PolarHBondContact O-N 2.91Å
695A52.3Low55.6Low84 Ų84109.1 Ų109.169%0.69467%0.671SS**THydrogen-bonded Turntrans-73.2-5.5171.100000114.2A692 A693A692-A695 WeakPolarHBondContact O-CB 3.39Å; A692-A695 PolarHBondContact O-N 3.39Å; A693-A695 PolarHBondContact O-N 2.97Å
696N43.3Very low54.4Low141 Ų141109.8 Ų109.875%0.75468%0.683SS**SBendtrans-151.1107.8173.1-146.1-3.5000112.7A693 A694A693-N696 PolarHBondContact O-N 3.43Å; A694-N696 PolarHBondContact O-N 2.91Å
697P40.2Very low52.7Low117 Ų117107.6 Ų107.676%0.7669%0.686SS**  trans-90.2130.5-170.233.6-33.7000113.8
698N43.2Very low50.9Low163 Ų163107.6 Ų107.687%0.87270%0.698SS**  trans-152.3137152.7-146.210.1000110.6
699P41.1Very low49.3Very low95 Ų95104.7 Ų104.762%0.61770%0.696SS**  trans-118.8173.3-158.742.3-32.9000116.6
700T41Very low47.7Very low131 Ų131110 Ų11080%0.80471%0.71SS**  trans75146.7153.940.70000119.5
701P43.6Very low46.4Very low113 Ų113113.1 Ų113.173%0.73473%0.728SS**  trans-144.2-148.9-131.637.4-12.1000114.2
702I39.7Very low45.4Very low150 Ų150114.9 Ų114.977%0.76974%0.735SS**  trans107.3129.3160-59.3172.2000114.9
703P49Very low44.7Very low111 Ų111115.4 Ų115.472%0.72174%0.74SS**  trans-109-136.1-177.545.7-33.3000108.6
704P50.8Low44Very low101 Ų101119.7 Ų119.766%0.65675%0.749SS**  cis-127.4179.1-29.637.8-22.2000113.4
705T36.7Very low43.6Very low138 Ų138123.4 Ų123.485%0.84775%0.752SS**  -177.8155.7123.421.70000111.9
706P50.1Low42.8Very low127 Ų127128.4 Ų128.483%0.82576%0.761SS**  trans-105.6163.7-179.139.7-33.5000114.4
707A41.3Very low42.3Very low84 Ų84126.5 Ų126.569%0.69476%0.756SS**  trans-154.2112.716800000109.3
708T37.1Very low41.5Very low134 Ų134127.6 Ų127.682%0.82276%0.755SS**  69.3148.184.260.50000114.6
709P41.9Very low40.9Very low99 Ų99125 Ų12564%0.64375%0.746SS**  -135.4-164.8-114.226.30.8000115.5
710H39Very low40.4Very low173 Ų173124.2 Ų124.280%0.80174%0.741SS**  trans70.7121.2160.4-52.7-61.6000120.6
711S40.6Very low40Very low122 Ų122121.3 Ų121.385%0.85373%0.725SS**  trans175.6153146.7-82.70000108.2
712S45.1Very low39Very low109 Ų109120.6 Ų120.676%0.76271%0.714SS**  cis-173.4173.3-12.351.30000109.8
713A45.9Very low38.6Very low83 Ų83117 Ų11769%0.68670%0.703SS**  trans93.9139.3152.300000121.8
714Q46.5Very low37.6Very low156 Ų156116.4 Ų116.473%0.72970%0.697SS**  trans67.5106.9145.6-74.4176.8-9500123.6
715Q46.3Very low36.6Very low160 Ų160119.9 Ų119.975%0.74870%0.704SS**  78142.3118.9-70.9170.9-29.900121.5
716Q36.7Very low36.2Very low189 Ų189119.1 Ų119.188%0.88370%0.7SS**  trans76.3152.1171.9-58-142.8-8.700116.4
717P31.9Very low35.2Very low102 Ų102118.5 Ų118.566%0.66270%0.698SS**  trans-101.6134.3-138.935.9-34.4000116.3
718I25Very low34.8Very low140 Ų140118 Ų11872%0.71869%0.694SS**  42.7105.5120.5-51163.3000116.4
719P28.8Very low34.6Very low107 Ų107119.6 Ų119.670%0.69569%0.692SS**  trans-70.6142.3150.231.8-32.9000109.7P721P719-P721 WeakPolarHBondContact O-CD 3.43Å
720P31.2Very low34.2Very low79 Ų79121 Ų12151%0.51369%0.693SS.*  trans-73.4120.3171.528.7-32.5000111.4A1318P720-A1318 HydrophobicContact CG-CB 3.82Å
721P32.1Very low34Very low70 Ų70120.4 Ų120.446%0.45569%0.69SS.*  trans-107.3-175.8170.1168000110.8P719 S723P719-P721 WeakPolarHBondContact O-CD 3.43Å; P721-S723 CarbonylContact C-O 3.48Å; P721-S723 WeakPolarHBondContact CD-O 3.44Å; P721-S723 WeakPolarHBondContact CG-O 3.35Å; P721-S723 PolarHBondContact O-N 2.88Å
722L23.4Very low33.8Very low99 Ų99122 Ų12252%0.51869%0.685SS.*SBendtrans-69.3117.5159.2-179.7135.5000109.4T1321L722-T1321 WeakPolarHBondContact CB-OG1 3.31Å
723S30.5Very low33.2Very low75 Ų75122 Ų12252%0.52469%0.685SS.*  trans70.4144.3-162.8-380000111.4P721P721-S723 CarbonylContact C-O 3.48Å; P721-S723 WeakPolarHBondContact CD-O 3.44Å; P721-S723 WeakPolarHBondContact CG-O 3.35Å; P721-S723 PolarHBondContact O-N 2.88Å
724T29.2Very low32.8Very low98 Ų98122.2 Ų122.260%0.60169%0.686SS**  cis-158.3141.649.348.30000114.5
725Q30Very low32.4Very low173 Ų173122.2 Ų122.281%0.80869%0.686SS**  trans61.9148.1141.4-57.916549.800116.1
726T27.7Very low31.8Very low123 Ų123122.2 Ų122.276%0.75569%0.686SS**  cis-150.2149.730.437.50000108
727S29.7Very low31.8Very low114 Ų114118.2 Ų118.280%0.79768%0.676SS**  cis-154.4172.44.6-88.40000107.2
728A32.4Very low31.9Very low73 Ų73117.5 Ų117.560%0.60367%0.674SS**  cis-153.5160.523.900000114.1
729E31.8Very low32.3Very low168 Ų168117.4 Ų117.479%0.78568%0.68SS**  trans70.3110.7137.2-79.2175.1105.900122.8
730I34.7Very low32.7Very low127 Ų127117.4 Ų117.465%0.65168%0.68SS**  107.1122.5127.4-68.5165.5000118.3
731Q35.5Very low32.4Very low161 Ų161119.8 Ų119.875%0.75269%0.692SS**  trans67.8136.1162.3-76.9160.7-6.800118.4
732Q34.7Very low32.1Very low156 Ų156121.7 Ų121.773%0.72970%0.703SS**  cis-164.6144.7-14.3-138.6166.910.100110
733S33.6Very low32.2Very low109 Ų109124 Ų12476%0.76271%0.713SS**  trans37.8141.5152.652.50000121.9
734A38.3Very low32Very low87 Ų87127.5 Ų127.572%0.71972%0.724SS**  cis178.7172.1200000109
735Q36.2Very low31.9Very low157 Ų157126.8 Ų126.873%0.73473%0.728SS**  cis-168141-36.4-107-175.5-2700110.1
736Q34.8Very low31.9Very low160 Ų160125 Ų12575%0.74872%0.724SS**  trans71.2169.8139.7-66.4-174.7-20.300119
737P36.8Very low32.2Very low104 Ų104125.8 Ų125.868%0.67572%0.722SS**  -143.6-179.2-87.238.1-14.9000116.7
738S32.9Very low32.4Very low88 Ų88126.4 Ų126.462%0.61572%0.723SS**  trans41.2123.8142.965.40000122.1
739V33.7Very low32.2Very low138 Ų138126.7 Ų126.784%0.83673%0.726SS**  trans63.9157.8153.6-54.40000118.5
740P38.5Very low32.3Very low106 Ų106127.4 Ų127.469%0.68873%0.732SS**  -129.7-164.3-51.739.4-24.1000110.3T742P740-T742 PolarHBondContact O-N 2.9Å
741V24.7Very low32.3Very low129 Ų129126.3 Ų126.378%0.78274%0.735SS**  trans20.288.5152.9-174.90000117.1
742T26.3Very low32.5Very low110 Ų110123.8 Ų123.868%0.67573%0.733SS**  trans78155.1142.5-33.40000119.4P740P740-T742 PolarHBondContact O-N 2.9Å
743M25.1Very low32.3Very low147 Ų147122.6 Ų122.672%0.72474%0.736SS**  trans96.3101.9156.6-57.8-57.2-175.600120.9
744I26.1Very low32.2Very low150 Ų150123 Ų12377%0.76974%0.739SS**  71.1121.4117.7-66.7174.9000121.2
745A27.6Very low32.1Very low82 Ų82122.9 Ų122.968%0.67874%0.738SS**  trans91.9143.214000000125
746N28.3Very low31.9Very low136 Ų136124 Ų12473%0.72774%0.744SS**  trans80.287.7144.4-77.517.1000123.4
747I35.7Very low31.9Very low140 Ų140120.8 Ų120.872%0.71874%0.736SS**  36.8119.997.3-50.9164000116.9A749I747-A749 HydrophobicContact CG2-CB 3.97Å
748P33.4Very low31.7Very low126 Ų126123.9 Ų123.982%0.81874%0.742SS**  -128.3115.6116.633.7-25.3000111
749A26.9Very low31.7Very low80 Ų80124.4 Ų124.466%0.66174%0.743SS**  8381.860.200000115.1I747I747-A749 HydrophobicContact CG2-CB 3.97Å
750M35.3Very low31.7Very low183 Ų183123.5 Ų123.590%0.90174%0.737SS**  trans-176.497.6156.2-103.2171.3167.300107.4
751S34.7Very low31.2Very low104 Ų104125.9 Ų125.973%0.72774%0.743SS**  71.5140.974.7740000114.6
752P38.4Very low31.5Very low108 Ų108124.8 Ų124.870%0.70174%0.742SS**  cis-139.3170.11242.5-24.3000118
753T30.5Very low31.9Very low131 Ų131124.5 Ų124.580%0.80474%0.742SS**  trans47.2122.114851.50000122.6
754S31.9Very low32Very low118 Ų118123.7 Ų123.783%0.82575%0.745SS**  153.9145.297.1-163.20000114
755A36.2Very low32.2Very low84 Ų84121.7 Ų121.769%0.69474%0.744SS**  trans56.8119.1173.100000117.9
756Q31.3Very low32.2Very low181 Ų181121.8 Ų121.885%0.84675%0.745SS**  cis84.8143.847.5-77.7-161-56.800114.9
757P35.4Very low32.3Very low91 Ų91119.4 Ų119.459%0.59175%0.745SS**  -142.7172.8-5133-12.6000113.8
758Q33.4Very low32.1Very low170 Ų170118.9 Ų118.979%0.79475%0.748SS**  152.5142.5123.9-79.3-57.8-26.900112
759P33.4Very low32.2Very low99 Ų99118.3 Ų118.364%0.64374%0.744SS**  trans-131.8-146.4-170.234.3-9.8000113.3
760V32.4Very low32.3Very low118 Ų118119.8 Ų119.872%0.71575%0.745SS**  trans70.698.9162.3-62.70000121.4
761L28Very low32.4Very low156 Ų156116.6 Ų116.682%0.81774%0.738SS**  27.3100.3106.6-62.6168.8000119
762S31Very low32Very low107 Ų107116.9 Ų116.975%0.74874%0.735SS**  trans59.3-175.4139.976.30000118.4
763P35.4Very low31.6Very low103 Ų103117.4 Ų117.467%0.66974%0.736SS**  cis-115.3-157.3-38.423.7-1.6000109.4
764T27.8Very low31.4Very low130 Ų130118.7 Ų118.780%0.79874%0.735SS**  trans74.9146.3151.9-45.20000115.9
765S29.2Very low31.3Very low108 Ų108121 Ų12176%0.75574%0.737SS**  cis-174.4-168.6-27.3-174.40000106.2
766A28.7Very low31Very low84 Ų84124.5 Ų124.569%0.69474%0.738SS**  trans61.488.7148.500000119.1
767A28.8Very low30.9Very low87 Ų87120.5 Ų120.572%0.71973%0.726SS**  73.8127.1112.600000121.3
768V32.3Very low31Very low129 Ų129121.9 Ų121.978%0.78274%0.735SS**  56.4112128.8-176.80000116
769P35.3Very low30.8Very low114 Ų114120.7 Ų120.774%0.7473%0.727SS**  -142.8148.569.339.8-24.1000118.8P771P769-P771 WeakPolarHBondContact O-CD 3.4Å
770V28.5Very low31Very low111 Ų111121 Ų12167%0.67373%0.729SS**  trans-29.9131.7143.6179.80000113.1T772V770-T772 WeakPolarHBondContact CG1-OG1 3.26Å
771P37.6Very low31.1Very low116 Ų116119.1 Ų119.175%0.75372%0.721SS**  -124.483.7127.635.8-31.5000112.6P769 T773P769-P771 WeakPolarHBondContact O-CD 3.4Å; P771-T773 PolarHBondContact O-N 2.78Å; P771-T773 VanDerWaalsContact O-N 3.13Å
772T26.7Very low31.2Very low110 Ų110117.4 Ų117.468%0.67571%0.709SS**  trans-66.299.7156.3-59.50000109.1V770V770-T772 WeakPolarHBondContact CG1-OG1 3.26Å
773T29Very low31.2Very low119 Ų119119.2 Ų119.273%0.7371%0.709SS**  trans-146.494160.323.90000107P771P771-T773 PolarHBondContact O-N 2.78Å; P771-T773 VanDerWaalsContact O-N 3.13Å
774M28.1Very low31.1Very low157 Ų157119.4 Ų119.477%0.77371%0.71SS**  80.3153.476.2-77.9-153.4-177.800112.9
775I29Very low31.3Very low168 Ų168118.4 Ų118.486%0.86270%0.703SS**  trans72.4126.7175.6-51.3175.4000112
776H31Very low31.4Very low156 Ų156121 Ų12172%0.72270%0.703SS**  cis-162.2130.5-11.7-166.967.4000104.3
777V28Very low31.5Very low98 Ų98123.5 Ų123.559%0.59471%0.705SS**  40.9116.491.9174.50000111.1
778P37.5Very low31.7Very low119 Ų119125.9 Ų125.977%0.77371%0.71SS**  -129110.478.234.9-22.9000115
779K30.4Very low31.7Very low146 Ų146123.6 Ų123.664%0.63571%0.705SS**  trans-81.3127.1137178.1-169.7171.2-161.10106E782K779-E782 IonicContact NZ-OE1 2.66Å; K779-E782 PolarHBondContact NZ-OE1 2.71Å
780P36.7Very low31.6Very low106 Ų106123.6 Ų123.669%0.68870%0.703SS**  -121129.8119.3-2.923.9000109.3
781S34.8Very low31.8Very low77 Ų77124.1 Ų124.154%0.53871%0.707SS.*  83.4141.871.1-67.20000112.1
782E29.6Very low31.6Very low120 Ų120123.2 Ų123.256%0.56171%0.709SS**  cis174.5162.5-20.2-117.3153.4169.900106.8K779K779-E782 IonicContact NZ-OE1 2.66Å; K779-E782 PolarHBondContact NZ-OE1 2.71Å
783I30.5Very low31.7Very low146 Ų146122.3 Ų122.375%0.74971%0.713SS**  trans68.7139.4142.5-75.5168000118.3
784P34.7Very low32.2Very low106 Ų106122.2 Ų122.269%0.68871%0.714SS**  cis-142-161.4-20.334.7-11.5000114.9
785V31.9Very low32.3Very low109 Ų109121.5 Ų121.566%0.66172%0.719SS**  trans98.4101.6153.2-164.90000118.6
786Q31.1Very low32.3Very low163 Ų163117.5 Ų117.576%0.76271%0.711SS**  39.2149.2127.4-58.2174.1-32.300120.4
787N30.7Very low32.2Very low137 Ų137114.2 Ų114.273%0.73371%0.71SS**  cis-157.1169.3-8.2-92-9.7000104.7
788V33Very low32.3Very low136 Ų136116 Ų11682%0.82472%0.717SS**  cis-149.4165.933.8178.60000108.9
789A31.6Very low32Very low82 Ų82116.8 Ų116.868%0.67871%0.714SS**  trans-63.4-178.4172.700000113.8
790T33.4Very low32.2Very low113 Ų113115.9 Ų115.969%0.69372%0.72SS**  -165.3140.557.8-33.50000112.8
791T33.2Very low32.5Very low122 Ų122116 Ų11675%0.74872%0.721SS**  trans32.8125.3156.752.80000120.8
792A31.9Very low33Very low98 Ų98118.4 Ų118.481%0.8174%0.735SS**  cis82.6138.942.900000115.9
793A30.5Very low33.2Very low91 Ų91118 Ų11875%0.75275%0.746SS**  trans-99.3-152165.800000108.2
794P39.3Very low33.8Very low117 Ų117116.5 Ų116.576%0.7675%0.745SS**  cis-126.8-134.8-24.833.6-12.2000110.7
795V30Very low33.8Very low142 Ų142116.1 Ų116.186%0.86175%0.751SS**  trans95.1144.6160.3-176.80000118.9
796A28.7Very low34Very low84 Ų84115.6 Ų115.669%0.69475%0.75SS**  trans-93.2166.3-159.400000116.8
797A29.2Very low34.1Very low86 Ų86116.3 Ų116.371%0.71175%0.751SS**  trans77.8151.3132.700000122.8
798N30.2Very low34.2Very low137 Ų137118.3 Ų118.373%0.73375%0.753SS**  trans76.5105.6152.6-69.51.4000121.8
799N30.2Very low34Very low134 Ų134116.3 Ų116.372%0.71774%0.741SS**  103.8114.5111.7-76.9-2.8000122.5
800V35.6Very low34Very low127 Ų127120 Ų12077%0.7775%0.745SS**  98.4138.7122.8165.70000118.5
801P42.9Very low33.9Very low109 Ų109120.5 Ų120.571%0.70874%0.743SS**  trans-120.5-157.6-166.244.3-28000112
802P44Very low33.7Very low128 Ų128121.2 Ų121.283%0.83174%0.74SS**  trans-125.8147.9146.834.4-22.5000114.7
803S35.5Very low33.5Very low111 Ų111125.4 Ų125.478%0.77674%0.743SS**  trans-111.3-141.4167.5-156.10000107
804P41.3Very low33.3Very low115 Ų115126.6 Ų126.675%0.74774%0.741SS**  cis-130.8-178.1-35.838.2-21.6000113.5
805A35.8Very low33Very low97 Ų97126.7 Ų126.780%0.80274%0.742SS**  trans-175.3149.2138.500000113.4
806P36.3Very low32.9Very low98 Ų98125.2 Ų125.264%0.63673%0.734SS**  trans-137.8-152.9-161.742.9-22.1000116.5
807F32.7Very low32.9Very low178 Ų178129.1 Ų129.178%0.78174%0.742SS**  trans95139172.1-48.7-55.4000116.4
808K32.6Very low32.9Very low179 Ų179127.9 Ų127.978%0.77873%0.732SS**  cis-157.8177.3-1.1-124.2177.4-175.2-170.20114
809T29.8Very low32.7Very low94 Ų94129 Ų12958%0.57773%0.732SS**  trans-48.1179.2172.737.80000116.7
810E31.7Very low32.6Very low161 Ų161129.1 Ų129.175%0.75273%0.733SS**  cis-143.7173.215.2-76.390.1-12800110.2
811D30.9Very low32.3Very low123 Ų123129.2 Ų129.266%0.65873%0.734SS**  cis-165.7147.6-34.8-101.915.8000113.6
812I28.7Very low31.9Very low136 Ų136129.8 Ų129.870%0.69774%0.736SS**  trans27.1126.7139.5-58.6165.3000122.1
813Q28Very low31.5Very low186 Ų186128.2 Ų128.287%0.86973%0.725SS**  178.7149.7107.8-135.8147.589.800116.5
814T27Very low31.2Very low116 Ų116132.6 Ų132.671%0.71273%0.725SS**  trans-111.6150.317151.70000110.7
815P32.1Very low30.7Very low119 Ų119132.7 Ų132.777%0.77372%0.723SS**  -146.3152.987.140.8-24.7000113.6
816T27.3Very low30.3Very low112 Ų112135 Ų13569%0.68772%0.721SS**  cis63.2133.547.656.30000117.6
817L28.8Very low29.9Very low166 Ų166135.1 Ų135.187%0.86972%0.723SS**  trans70.6152163-104.269.5000117.2
818A28.7Very low29.6Very low60 Ų60132.1 Ų132.150%0.49672%0.72SS.*  cis-152.1170.42.400000113.5
819Q27.3Very low29.2Very low159 Ų159130.7 Ų130.774%0.74372%0.721SS**  trans70.4119.4142.9-76.4147.91500117.2
820N27.9Very low29.3Very low137 Ų137130.4 Ų130.473%0.73373%0.728SS**  74.7141.277.8-63.7-2.9000111.2
821T29.7Very low29Very low129 Ų129128.9 Ų128.979%0.79174%0.736SS**  cis-146.2151.335.2-40.30000114
822V33.8Very low28.8Very low122 Ų122126.2 Ų126.274%0.73974%0.737SS**  trans-70.3-163.8162.2-1240000110.1
823P36Very low28.6Very low94 Ų94127.2 Ų127.261%0.6174%0.743SS**  cis-137.4-165.8-22.532-9.1000114.4
824R29.5Very low28.6Very low204 Ų204124.4 Ų124.477%0.7774%0.738SS**  trans77155.8154.5-68.6176.5178.5178.6-1.7118M1495R824-M1495 PolarHBondContact NH2-O 3.13Å
825T29.5Very low28.7Very low116 Ų116125.2 Ų125.271%0.71274%0.737SS**  cis-173.1-177.1-29.4-82.40000106
826I27.8Very low28.4Very low147 Ų147126.4 Ų126.475%0.75474%0.736SS**  trans86111.5174.6-47.6170.9000109.7
827S27.6Very low29Very low99 Ų99126.6 Ų126.669%0.69274%0.737SS**  68.8144.562.9-52.70000112.1
828T26.1Very low29.1Very low116 Ų116124.2 Ų124.271%0.71273%0.732SS**  cis-154.4172.6-8.13.60000108
829D24.5Very low29.1Very low148 Ų148126 Ų12679%0.79175%0.746SS**  trans65.3136.2168-59.3-48.2000117.9
830A32.1Very low29.1Very low89 Ų89123.2 Ų123.274%0.73675%0.745SS**  cis85.648.63800000115.2
831S25.9Very low28.9Very low129 Ų129124 Ų12490%0.90275%0.748SS**  trans-155.8149.7147.3-810000108.6
832G25.6Very low28.7Very low66 Ų66122.4 Ų122.468%0.6875%0.747SS**  cis146.61243.100000109
833L26Very low28.6Very low158 Ų158122 Ų12283%0.82775%0.75SS**  trans34110.3171.2-85.362.7000118.5
834V27.2Very low28.4Very low126 Ų126123.2 Ų123.276%0.76476%0.757SS**  -133.4105.2117.5-176.30000109N836V834-N836 HydrophobicContact CG1-CB 4.24Å
835I28.8Very low28.6Very low134 Ų134118.6 Ų118.669%0.68776%0.757SS**  trans-83.3125.1160.2-65.9170.9000106.5
836N27.2Very low28.7Very low144 Ų144118.8 Ų118.877%0.7776%0.76SS**  trans-141.763.8170-97.6-22.8000111.6V834V834-N836 HydrophobicContact CG1-CB 4.24Å
837T38.5Very low29.1Very low115 Ų115115.8 Ų115.871%0.70676%0.757SS**  trans-54.3144.8139.846.70000108.9
838P32.3Very low29.6Very low116 Ų116116.3 Ų116.375%0.75376%0.758SS**  -156.9171.879.242.8-24.2000117.7
839A27.3Very low29.8Very low97 Ų97115.7 Ų115.780%0.80276%0.759SS**  trans61.3158.2137.200000121.7
840S27Very low30.2Very low102 Ų102113 Ų11371%0.71376%0.757SS**  cis-174.2-180-29.9-163.70000108.7
841I24.8Very low30.2Very low154 Ų154114.4 Ų114.479%0.7976%0.756SS**  trans78.1126.1155.3-64.8154.4000119.2
842A24.8Very low30.3Very low94 Ų94114.7 Ų114.778%0.77775%0.748SS**  trans78.7138.1150.300000123.3
843S33.2Very low30.5Very low114 Ų114117.8 Ų117.880%0.79775%0.753SS**  trans-62.3171.8162.5-32.50000112.6
844P30.4Very low30.8Very low119 Ų119113.9 Ų113.977%0.77374%0.744SS**  cis-139.6-170.922.143-23.1000116.7
845S34.4Very low31Very low108 Ų108113 Ų11376%0.75574%0.743SS**  trans-65.9145.6167.8-167.50000111.3
846P30.8Very low31Very low120 Ų120112.9 Ų112.978%0.77975%0.749SS**  -142.3172.795.241-27.9000115.4
847A36.8Very low31.1Very low83 Ų83112.3 Ų112.369%0.68675%0.751SS**  trans-91.1-165.2161.900000109.5
848P37.5Very low30.9Very low110 Ų110111 Ų11171%0.71475%0.751SS**  cis-140.1-162.7-3.237.7-14.9000114.9
849S30.5Very low31.4Very low104 Ų104111.1 Ų111.173%0.72775%0.752SS**  trans72.6136.616112.90000117
850A32.8Very low31.8Very low92 Ų92112.5 Ų112.576%0.7675%0.751SS**  75.8153.257.300000112.5
851T32.1Very low32.5Very low117 Ų117113.7 Ų113.772%0.71875%0.754SS**  cis-146.2163.919.5-28.30000109.1
852D28.9Very low33.5Very low135 Ų135111.6 Ų111.672%0.72275%0.75SS**  159.3159.192.9-98.5-43.1000107.1
853V29.7Very low34.3Very low132 Ų132111.5 Ų111.580%0.875%0.749SS**  cis-150.3157.86.7-110.30000107.3
854A31.4Very low35Very low76 Ų76112 Ų11263%0.62875%0.749SS**  cis-160.6158.2-3.500000112.1
855S31Very low35.8Very low108 Ų108112.9 Ų112.976%0.75575%0.753SS**  trans56.9141148.757.70000122.3
856T29.5Very low36.4Very low130 Ų130113.5 Ų113.580%0.79875%0.754SS**  cis-169.2179.4-1939.10000106.4
857T30.2Very low36.8Very low133 Ų133113.4 Ų113.482%0.81675%0.752SS**  cis-156.9-166.812.4-220000110.5
858A34.1Very low36.9Very low86 Ų86115.6 Ų115.671%0.71176%0.757SS**  trans-148.5-154173.200000109.3
859P42.6Very low36.9Very low120 Ų120116.1 Ų116.178%0.77976%0.758SS**  cis-112.3-143.6-8.920.85.9000112.9
860V36.1Very low37.1Very low126 Ų126116.6 Ų116.676%0.76476%0.757SS**  cis-156.9-171.718.3-138.10000113.5
861T40.4Very low37Very low127 Ų127119.3 Ų119.378%0.77976%0.758SS**  trans-147.4-160.7-177.858.10000109.9
862P45.8Very low36.8Very low110 Ų110117 Ų11771%0.71476%0.758SS**  cis-145.1174.7-7.144.1-24.8000119.4
863A41.7Very low36.7Very low92 Ų92114.5 Ų114.576%0.7677%0.765SS**  trans68.7173.5140.800000122
864P48.2Very low36.6Very low123 Ų123113.1 Ų113.180%0.79977%0.767SS**  cis-131.2174.3-0.640.9-23000118.2
865T47.4Very low36.6Very low139 Ų139113.7 Ų113.785%0.85377%0.772SS**  trans-149.9138.4-167.754.90000117.8
866P46.2Very low36.5Very low120 Ų120113 Ų11378%0.77977%0.772SS**  trans-124.5-172.3170.341.3-29.6000114.8
867T40Very low36.3Very low118 Ų118110.6 Ų110.672%0.72477%0.766SS**  -162.9164.5-55.847.50000111.2
868T38.4Very low36.3Very low129 Ų129109.4 Ų109.479%0.79176%0.763SS**  trans67.4139.4154.738.80000120.5
869T37.9Very low36Very low122 Ų122111.5 Ų111.575%0.74877%0.767SS**  cis-153.3171.57.9-82.20000112
870T34.7Very low35.2Very low113 Ų113111.9 Ų111.969%0.69377%0.767SS**  trans-49.4172.7176.121.40000117.6
871D30.2Very low34.7Very low149 Ų149112.2 Ų112.280%0.79777%0.77SS**  cis-158.9167.125-137.4-40.8000115.6
872G28.3Very low34.1Very low69 Ų69112.1 Ų112.171%0.71176%0.76SS**  trans80.3141.8145.500000121.7
873G27.5Very low33.5Very low83 Ų83112.1 Ų112.186%0.85675%0.754SS**  trans97.293.8154.700000116.9
874A27.4Very low32.9Very low103 Ų103110.1 Ų110.185%0.85173%0.728SS**  trans-67.5134.8-175.400000115.2
875A30.6Very low32Very low88 Ų88108 Ų10873%0.72771%0.708SS**  trans38.3104.8150.800000118
876A28.5Very low31.3Very low92 Ų92105.7 Ų105.776%0.7669%0.687SS**  59.592.680.800000111.2
877A25.6Very low30.4Very low81 Ų81106 Ų10667%0.66968%0.676SS**  cis65.1113.146.600000113.3
878S30.9Very low29.9Very low107 Ų107109.8 Ų109.875%0.74868%0.678SS**  trans19.8119.6143.8550000118.9
879T27.1Very low29.4Very low131 Ų131113.4 Ų113.480%0.80468%0.682SS**  trans-133.980.7146.2-34.80000109.8
880T25.5Very low29Very low127 Ų127112.9 Ų112.978%0.77968%0.683SS**  trans-18.8124.8158.113.90000115.1
881T27Very low28.9Very low134 Ų134114 Ų11482%0.82269%0.685SS**  trans-138.181.6153.88.40000110.7N883T881-N883 PolarHBondContact O-N 2.87Å
882E27.2Very low29.4Very low124 Ų124113.9 Ų113.958%0.57968%0.678SS**  73.141.6128.5-70.5-75.178.900120.1K254 R258K254-E882 WeakPolarHBondContact CE-OE2 3.03Å; K254-E882 VanDerWaalsContact NZ-CA 3.28Å; K254-E882 PolarHBondContact NZ-O 2.79Å; K254-E882 IonicContact NZ-OE1 2.8Å; K254-E882 PolarHBondContact NZ-OE1 3.13Å; K254-E882 IonicContact NZ-OE2 3.34Å; K254-E882 PolarHBondContact NZ-OE2 2.91Å; R258-E882 PolarHBondContact NH2-O 3.34Å
883N33.5Very low30.9Very low110 Ų110119 Ų11959%0.58868%0.676SS**  trans-57159.1174.3-141.322.5000116.2K254 R258 T881K254-N883 PolarHBondContact NZ-O 3.37Å; K254-N883 VanDerWaalsContact NZ-O 3.15Å; R258-N883 PolarHBondContact NH1-O 3.25Å; T881-N883 PolarHBondContact O-N 2.87Å
884K29.7Very low33.3Very low50 Ų50120.2 Ų120.222%0.21766%0.657CS.*  trans156.7156.3148.7-52.9-162.3-174.573.90105.3E251 K254 R258E251-K884 WeakPolarHBondContact O-CE 3.14Å; E251-K884 PolarHBondContact O-NZ 3.14Å; E251-K884 WeakPolarHBondContact OE1-CE 3.34Å; K254-K884 VanDerWaalsContact C-NZ 3.32Å; K254-K884 PolarHBondContact O-NZ 3.25Å; K254-K884 VanDerWaalsContact O-NZ 3.13Å; R258-K884 PolarHBondContact NE-O 2.78Å; R258-K884 VanDerWaalsContact NE-O 3.07Å; R258-K884 PolarHBondContact NH2-O 3.22Å
885E29.4Very low36.1Very low79 Ų79115.3 Ų115.337%0.36962%0.617SS.*  cis91.2152.58.3142.8-84.2-106.100108.3P983 N984E885-P983 WeakPolarHBondContact OE1-CG 3.34Å; E885-N984 PolarHBondContact OE2-ND2 2.89Å
886E31.2Very low39Very low90 Ų90111.8 Ų111.842%0.42159%0.586SS.*  cis-149.5138.4-9.3-156.2-117.9134.100105.4R888E886-R888 WeakPolarHBondContact OE1-CG 3.24Å; E886-R888 PolarHBondContact OE1-N 2.85Å
887K27.4Very low42.1Very low126 Ų126107.4 Ų107.455%0.54855%0.55SS..  -166.4131.493.1-96.7158.8-177.155.40119.1
888R30.3Very low45.4Very low198 Ų198105.3 Ų105.375%0.74753%0.526SS*.  trans69.181137.4-63.7167177.5-170.9-5.7121.6E886E886-R888 WeakPolarHBondContact OE1-CG 3.24Å; E886-R888 PolarHBondContact OE1-N 2.85Å
889K28.5Very low48.3Very low206 Ų206100.3 Ų100.390%0.89649%0.491SS*.  -156.3137.6106.4-132.7163.5-174.2166.10112.3N891K889-N891 PolarHBondContact O-N 2.95Å; K889-N891 VanDerWaalsContact O-N 3.09Å
890S27.8Very low51.3Low110 Ų11097.8 Ų97.877%0.76947%0.472SS*.  trans-86.278.2-162.349.60000115.4K892S890-K892 PolarHBondContact O-N 2.74Å
891N34.3Very low54.3Low137 Ų13792.6 Ų92.673%0.73344%0.444SS*.  trans-86.895.7163.5-82.27.8000110.6K889 R893K889-N891 PolarHBondContact O-N 2.95Å; K889-N891 VanDerWaalsContact O-N 3.09Å; N891-R893 PolarHBondContact O-N 3.41Å
892K40.7Very low56.9Low147 Ų14787.9 Ų87.964%0.63942%0.416SS*.  trans-57.4118.3178.4-71.5-171170.5-159.70111S890 K894 V980S890-K892 PolarHBondContact O-N 2.74Å; K892-K894 PolarHBondContact O-N 3.02Å; K892-V980 HydrophobicContact CB-CG1 4.22Å; K892-V980 HydrophobicContact CD-CG1 4.08Å; K892-V980 HydrophobicContact CG-CG1 4.42Å
893R60Low59.3Low177 Ų17784.4 Ų84.467%0.66840%0.402SS*.EExtended strand (participates in β ladder)trans-72.193.2178-65.3-178-170.7-173.45.1109.1N891 L981N891-R893 PolarHBondContact O-N 3.41Å; R893-L981 HydrophobicContact CB-CB 4.08Å; R893-L981 HydrophobicContact CB-CD1 4.3Å; R893-L981 WeakPolarHBondContact O-CB 3.47Å; R893-L981 PolarHBondContact O-N 3.09Å
894K77Confident61Low107 Ų10784.5 Ų84.547%0.46540%0.399SS..EExtended strand (participates in β ladder)trans-99.2128.8-176.4-163-174.8-175.9-177.70110.4K892 V896 A978 T979 V980K892-K894 PolarHBondContact O-N 3.02Å; K894-V896 HydrophobicContact CD-CG2 3.64Å; K894-V896 HydrophobicContact CG-CG2 3.68Å; K894-A978 VanDerWaalsContact CE-CB 3.49Å; K894-T979 WeakPolarHBondContact CA-O 3.35Å; K894-V980 HydrophobicContact CG-CG2 4.32Å
895V87.2Confident62.2Low1 Ų186.7 Ų86.71%0.00642%0.42CS..EExtended strand (participates in β ladder)trans-107125.7169.1-179.70000107.6L915 I953 V954 Q957 T979V895-L915 HydrophobicContact CG1-CD1 3.74Å; V895-I953 HydrophobicContact CB-CG2 4.1Å; V895-I953 HydrophobicContact CG1-CG2 4.16Å; V895-I953 HydrophobicContact CG2-CD1 4.16Å; V895-V954 HydrophobicContact CG1-CG2 4.08Å; V895-Q957 PolarHBondContact O-NE2 3.41Å; V895-T979 PolarHBondContact N-O 2.72Å; V895-T979 PolarHBondContact O-N 3.35Å
896V91.4Very high63.6Low13 Ų1387.5 Ų87.58%0.07942%0.42CS..EExtended strand (participates in β ladder)trans-128.4129.6-173.4-174.30000110.3K894 L915 D916 K976 L977 A978K894-V896 HydrophobicContact CD-CG2 3.64Å; K894-V896 HydrophobicContact CG-CG2 3.68Å; V896-L915 CarbonylContact O-C 3.59Å; V896-L915 WeakPolarHBondContact O-CA 3.39Å; V896-D916 HydrophobicContact CB-CB 4.37Å; V896-D916 PolarHBondContact N-O 2.83Å; V896-D916 PolarHBondContact O-N 2.63Å; V896-K976 HydrophobicContact CG1-CD 4.2Å; V896-K976 VanDerWaalsContact CG1-CE 3.46Å; V896-K976 HydrophobicContact CG1-CG 3.7Å; V896-L977 CarbonylContact C-O 3.5Å; V896-L977 WeakPolarHBondContact CA-O 3.28Å; V896-A978 HydrophobicContact CG2-CB 4.48Å
897M93.5Very high65Low0 Ų090.9 Ų90.90%044%0.441CS..EExtended strand (participates in β ladder)trans-121.3133.4173.1-174.7133.954.500110.4C913 R914 L915 F924 V954 Q957 L958 K976 L977M897-C913 HydrophobicContact CG-CB 4.2Å; M897-C913 HydrophobicContact SD-CB 4.11Å; M897-R914 CarbonylContact C-O 3.59Å; M897-R914 WeakPolarHBondContact CA-O 3.32Å; M897-L915 HydrophobicContact CB-CD1 4.45Å; M897-L915 HydrophobicContact SD-CB 4.39Å; M897-F924 HydrophobicContact SD-CE1 4.07Å; M897-F924 HydrophobicContact SD-CZ 3.74Å; M897-V954 HydrophobicContact CE-CG1 4.22Å; M897-Q957 VanDerWaalsContact CB-OE1 3.29Å; M897-Q957 HydrophobicContact CE-CB 3.39Å; M897-L958 HydrophobicContact CE-CD2 4.45Å; M897-L958 HydrophobicContact CE-CG 3.91Å; M897-K976 CarbonylContact O-C 3.53Å; M897-K976 WeakPolarHBondContact O-CA 3.29Å; M897-L977 PolarHBondContact N-O 3.09Å; M897-L977 PolarHBondContact O-N 3.25Å
898E93.4Very high66.6Low37 Ų3791.4 Ų91.417%0.17344%0.443CS..EExtended strand (participates in β ladder)trans-128.8123.5-173.4-172.4178.6112.100109.6L900 C913 R914 K976E898-L900 PolarHBondContact O-N 2.69Å; E898-C913 CarbonylContact O-C 3.57Å; E898-C913 WeakPolarHBondContact O-CA 3.21Å; E898-R914 VanDerWaalsContact CD-NH1 3.31Å; E898-R914 VanDerWaalsContact CD-NH2 3.32Å; E898-R914 PolarHBondContact N-O 2.71Å; E898-R914 PolarHBondContact O-N 3.48Å; E898-R914 IonicContact OE1-CZ 3.55Å; E898-R914 IonicContact OE1-NH1 3.47Å; E898-R914 PolarHBondContact OE1-NH1 2.79Å; E898-R914 IonicContact OE1-NH2 3.49Å; E898-R914 PolarHBondContact OE1-NH2 3.31Å; E898-R914 IonicContact OE2-CZ 2.79Å; E898-R914 IonicContact OE2-NH1 3.53Å; E898-R914 IonicContact OE2-NH2 2.71Å; E898-R914 PolarHBondContact OE2-NH2 2.87Å; E898-K976 HydrophobicContact CB-CG 4.36Å; E898-K976 HydrophobicContact CG-CD 4.4Å; E898-K976 HydrophobicContact CG-CG 4.42Å; E898-K976 WeakPolarHBondContact OE2-CD 3.48Å; E898-K976 WeakPolarHBondContact OE2-CE 3.35Å; E898-K976 IonicContact OE2-NZ 2.7Å; E898-K976 PolarHBondContact OE2-NZ 3.09Å
899I93Very high68.7Low2 Ų284.1 Ų84.11%0.0143%0.425CS..EExtended strand (participates in β ladder)trans-78.3110179-56.5174.1000108.3V911 V961 L964 I965 G972 G974 T975I899-V911 HydrophobicContact CG2-CG1 4.48Å; I899-V961 HydrophobicContact CD1-CB 4.36Å; I899-V961 HydrophobicContact CD1-CG1 3.88Å; I899-V961 HydrophobicContact CD1-CG2 4.02Å; I899-V961 HydrophobicContact CG1-CG1 4.04Å; I899-V961 HydrophobicContact CG1-CG2 3.99Å; I899-L964 HydrophobicContact CD1-CD2 3.86Å; I899-I965 HydrophobicContact CD1-CD1 4.29Å; I899-I965 HydrophobicContact CG2-CD1 4.17Å; I899-G972 WeakPolarHBondContact CD1-O 3.44Å; I899-G974 PolarHBondContact O-N 3.22Å; I899-T975 PolarHBondContact N-O 3.42Å; I899-T975 VanDerWaalsContact N-O 3.08Å
900L90.1Very high71.4Confident78 Ų7875.7 Ų75.741%0.40839%0.39SS..EExtended strand (participates in β ladder)trans-80.9-30.7-177.3-59.2178000112.9E898 S912 R914 T923E898-L900 PolarHBondContact O-N 2.69Å; L900-S912 WeakPolarHBondContact CB-O 3.37Å; L900-S912 PolarHBondContact N-O 2.78Å; L900-R914 HydrophobicContact CD1-CB 4.15Å; L900-R914 HydrophobicContact CD2-CB 4.12Å; L900-R914 HydrophobicContact CG-CB 4.25Å; L900-T923 HydrophobicContact CD1-CG2 3.96Å
901G87Confident74.3Confident18 Ų1870.5 Ų70.519%0.18635%0.353CS..EExtended strand (participates in β ladder)trans173.4160.9-17700000113S912G901-S912 PolarHBondContact O-N 2.77Å
902C83.4Confident77.1Confident35 Ų3565.1 Ų65.124%0.23633%0.327CS..EExtended strand (participates in β ladder)trans-122.6122.3171.2-169.30000108L910C902-L910 WeakPolarHBondContact CA-O 3.31Å
903D77Confident79.6Confident52 Ų5258.1 Ų58.128%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-102.2108.9179.1-177.39.3000110S905 A909 L910D903-S905 VanDerWaalsContact CG-OG 3.29Å; D903-S905 WeakPolarHBondContact OD1-CB 3.05Å; D903-S905 PolarHBondContact OD1-N 2.63Å; D903-S905 PolarHBondContact OD1-OG 2.94Å; D903-S905 PolarHBondContact OD2-OG 3.26Å; D903-A909 WeakPolarHBondContact O-CA 3.3Å; D903-L910 HydrophobicContact CB-CB 4.4Å; D903-L910 PolarHBondContact N-O 2.81Å; D903-L910 PolarHBondContact O-N 2.75Å
904E69.7Low81.3Confident112 Ų11252.4 Ų52.452%0.52328%0.275SS..  trans-87.5-0.7177.1-62.7176.8150.500112.7R906 K970E904-R906 VanDerWaalsContact C-N 3.3Å; E904-R906 PolarHBondContact O-N 2.9Å; E904-K970 VanDerWaalsContact CD-CE 3.4Å; E904-K970 VanDerWaalsContact OE1-CE 3.24Å; E904-K970 WeakPolarHBondContact OE1-CE 3.36Å; E904-K970 IonicContact OE1-NZ 2.81Å; E904-K970 PolarHBondContact OE1-NZ 2.95Å; E904-K970 WeakPolarHBondContact OE2-CE 3.35Å; E904-K970 IonicContact OE2-NZ 2.61Å; E904-K970 PolarHBondContact OE2-NZ 3.41Å
905S53.7Low82.1Confident95 Ų9547.3 Ų47.366%0.66425%0.252SS*.SBendtrans-80.6-2.4-171.872.50000115.4D903D903-S905 VanDerWaalsContact CG-OG 3.29Å; D903-S905 WeakPolarHBondContact OD1-CB 3.05Å; D903-S905 PolarHBondContact OD1-N 2.63Å; D903-S905 PolarHBondContact OD1-OG 2.94Å; D903-S905 PolarHBondContact OD2-OG 3.26Å
906R58.3Low82.3Confident96 Ų9649 Ų4936%0.36226%0.261SS..SBendtrans-119160.2179.1-56.9-171.7-176.4-166.6-5.5110.5E904 F908E904-R906 VanDerWaalsContact C-N 3.3Å; E904-R906 PolarHBondContact O-N 2.9Å; R906-F908 CarbonylContact O-C 3.5Å; R906-F908 PolarHBondContact O-N 2.6Å
907N60.6Low82.1Confident162 Ų16249.2 Ų49.287%0.86626%0.263SS*.SBendtrans-55.9-12.3-178-71.120.6000115.6
908F62.7Low81.3Confident137 Ų13753 Ų5360%0.60129%0.289SS*.SBendtrans-132.7131.2171-48.2-80.5000107.5R906 L910 A927R906-F908 CarbonylContact O-C 3.5Å; R906-F908 PolarHBondContact O-N 2.6Å; F908-L910 PolarHBondContact O-N 2.95Å; F908-A927 HydrophobicContact CB-CB 4.25Å
909A72.6Confident80.6Confident45 Ų4555.5 Ų55.537%0.37230%0.301SS..PPolyproline II helixtrans-63121.5176.900000110.1D903 P928D903-A909 WeakPolarHBondContact O-CA 3.3Å; A909-P928 VanDerWaalsContact O-CD 3.27Å; A909-P928 WeakPolarHBondContact O-CD 3.28Å
910L85.9Confident80.1Confident29 Ų2959.1 Ų59.115%0.15232%0.316CS..EExtended strand (participates in β ladder)trans-100.3122.5-178.6-75.7174.9000110.9C902 D903 F908 A927C902-L910 WeakPolarHBondContact CA-O 3.31Å; D903-L910 HydrophobicContact CB-CB 4.4Å; D903-L910 PolarHBondContact N-O 2.81Å; D903-L910 PolarHBondContact O-N 2.75Å; F908-L910 PolarHBondContact O-N 2.95Å; L910-A927 HydrophobicContact CD2-CB 4.29Å
911V89.8Confident80.1Confident0 Ų059.2 Ų59.20%032%0.324CS..EExtended strand (participates in β ladder)trans-98.6122.2178177.80000109.2I899 Q925 F926 P928 V961 I965I899-V911 HydrophobicContact CG2-CG1 4.48Å; V911-Q925 VanDerWaalsContact O-CA 3.28Å; V911-Q925 WeakPolarHBondContact O-CA 3.5Å; V911-F926 HydrophobicContact CB-CD1 4.29Å; V911-F926 HydrophobicContact CB-CE1 3.89Å; V911-F926 HydrophobicContact CB-CE2 4.48Å; V911-F926 HydrophobicContact CB-CZ 4Å; V911-F926 HydrophobicContact CG1-CD1 4.5Å; V911-F926 HydrophobicContact CG1-CE1 3.7Å; V911-F926 HydrophobicContact CG1-CZ 3.88Å; V911-F926 PolarHBondContact N-O 3.11Å; V911-F926 PolarHBondContact O-N 3.02Å; V911-F926 VanDerWaalsContact O-N 3.13Å; V911-P928 HydrophobicContact CB-CG 4.33Å; V911-P928 HydrophobicContact CG2-CG 3.39Å; V911-V961 HydrophobicContact CG1-CG1 3.88Å; V911-I965 HydrophobicContact CB-CD1 4.09Å; V911-I965 HydrophobicContact CG1-CD1 3.42Å; V911-I965 VanDerWaalsContact CG1-CD1 3.42Å; V911-I965 HydrophobicContact CG2-CD1 3.45Å; V911-I965 VanDerWaalsContact CG2-CD1 3.45Å; V911-I965 HydrophobicContact CG2-CG2 4.1Å
912S91.5Very high80.3Confident24 Ų2459.5 Ų59.517%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-96122.8174.8-590000110.1L900 G901 Q925L900-S912 WeakPolarHBondContact CB-O 3.37Å; L900-S912 PolarHBondContact N-O 2.78Å; G901-S912 PolarHBondContact O-N 2.77Å; S912-Q925 WeakPolarHBondContact OG-CG 3.3Å; S912-Q925 PolarHBondContact OG-NE2 3.03Å
913C94.3Very high80.8Confident0 Ų062.4 Ų62.40%034%0.339CS..EExtended strand (participates in β ladder)trans-123144.4176.2-76.80000111.5M897 E898 T923 F924M897-C913 HydrophobicContact CG-CB 4.2Å; M897-C913 HydrophobicContact SD-CB 4.11Å; E898-C913 CarbonylContact O-C 3.57Å; E898-C913 WeakPolarHBondContact O-CA 3.21Å; C913-T923 VanDerWaalsContact O-CA 3.32Å; C913-T923 WeakPolarHBondContact O-CA 3.02Å; C913-F924 HydrophobicContact CB-CE1 4.15Å; C913-F924 HydrophobicContact CB-CE2 4.28Å; C913-F924 HydrophobicContact CB-CZ 3.94Å; C913-F924 PolarHBondContact N-O 2.71Å; C913-F924 PolarHBondContact O-N 3.13Å
914R94.9Very high81.6Confident57 Ų5761.4 Ų61.422%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-102.8125.9160.2-166.8179.276.3-98.3-15.6109.2M897 E898 L900 D916 V922 T923M897-R914 CarbonylContact C-O 3.59Å; M897-R914 WeakPolarHBondContact CA-O 3.32Å; E898-R914 VanDerWaalsContact CD-NH1 3.31Å; E898-R914 VanDerWaalsContact CD-NH2 3.32Å; E898-R914 PolarHBondContact N-O 2.71Å; E898-R914 PolarHBondContact O-N 3.48Å; E898-R914 IonicContact OE1-CZ 3.55Å; E898-R914 IonicContact OE1-NH1 3.47Å; E898-R914 PolarHBondContact OE1-NH1 2.79Å; E898-R914 IonicContact OE1-NH2 3.49Å; E898-R914 PolarHBondContact OE1-NH2 3.31Å; E898-R914 IonicContact OE2-CZ 2.79Å; E898-R914 IonicContact OE2-NH1 3.53Å; E898-R914 IonicContact OE2-NH2 2.71Å; E898-R914 PolarHBondContact OE2-NH2 2.87Å; L900-R914 HydrophobicContact CD1-CB 4.15Å; L900-R914 HydrophobicContact CD2-CB 4.12Å; L900-R914 HydrophobicContact CG-CB 4.25Å; R914-D916 IonicContact CZ-OD2 2.66Å; R914-D916 VanDerWaalsContact CZ-OD2 3.28Å; R914-D916 IonicContact NE-OD1 2.67Å; R914-D916 PolarHBondContact NE-OD1 3.43Å; R914-D916 IonicContact NE-OD2 3.2Å; R914-D916 PolarHBondContact NE-OD2 2.65Å; R914-D916 IonicContact NH2-OD2 3.56Å; R914-D916 PolarHBondContact NH2-OD2 3.41Å; R914-V922 WeakPolarHBondContact CA-O 3.24Å; R914-T923 HydrophobicContact CB-CG2 3.98Å; R914-T923 HydrophobicContact CG-CG2 3.79Å
915L94.5Very high82.7Confident0 Ų060.5 Ų60.50%033%0.328CS..EExtended strand (participates in β ladder)trans-104.9121.5169.3172.170.1000108.8V895 V896 M897 T917 S921 V922 F924 L940 L946 V954V895-L915 HydrophobicContact CG1-CD1 3.74Å; V896-L915 CarbonylContact O-C 3.59Å; V896-L915 WeakPolarHBondContact O-CA 3.39Å; M897-L915 HydrophobicContact CB-CD1 4.45Å; M897-L915 HydrophobicContact SD-CB 4.39Å; L915-T917 HydrophobicContact CD1-CG2 4.3Å; L915-T917 HydrophobicContact CD2-CG2 4.09Å; L915-T917 HydrophobicContact CG-CG2 3.94Å; L915-S921 CarbonylContact O-C 3.6Å; L915-S921 VanDerWaalsContact O-CA 3.3Å; L915-S921 WeakPolarHBondContact O-CA 3.06Å; L915-V922 HydrophobicContact CB-CG1 3.92Å; L915-V922 HydrophobicContact CD2-CG1 4.09Å; L915-V922 HydrophobicContact CG-CG1 4.37Å; L915-V922 PolarHBondContact N-O 3.44Å; L915-V922 PolarHBondContact O-N 2.78Å; L915-F924 HydrophobicContact CB-CE1 4.02Å; L915-L940 HydrophobicContact CD2-CD1 4.27Å; L915-L946 HydrophobicContact CD2-CD1 3.55Å; L915-V954 HydrophobicContact CD1-CG2 3.83Å; L915-V954 HydrophobicContact CD2-CG1 4.26Å; L915-V954 HydrophobicContact CD2-CG2 3.95Å
916D90.7Very high84.6Confident36 Ų3656.2 Ų56.219%0.19330%0.297CS..EExtended strand (participates in β ladder)trans-107.3119.3173.3-59.1-48.2000109.1V896 R914 S921V896-D916 HydrophobicContact CB-CB 4.37Å; V896-D916 PolarHBondContact N-O 2.83Å; V896-D916 PolarHBondContact O-N 2.63Å; R914-D916 IonicContact CZ-OD2 2.66Å; R914-D916 VanDerWaalsContact CZ-OD2 3.28Å; R914-D916 IonicContact NE-OD1 2.67Å; R914-D916 PolarHBondContact NE-OD1 3.43Å; R914-D916 IonicContact NE-OD2 3.2Å; R914-D916 PolarHBondContact NE-OD2 2.65Å; R914-D916 IonicContact NH2-OD2 3.56Å; R914-D916 PolarHBondContact NH2-OD2 3.41Å; D916-S921 VanDerWaalsContact OD1-CB 3.31Å; D916-S921 WeakPolarHBondContact OD1-CB 3.34Å; D916-S921 PolarHBondContact OD1-OG 2.66Å
917T87.5Confident86.1Confident18 Ų1852 Ų5211%0.1128%0.283CS..  trans-115.6177.6176.275.80000111.5L915 H919 K920L915-T917 HydrophobicContact CD1-CG2 4.3Å; L915-T917 HydrophobicContact CD2-CG2 4.09Å; L915-T917 HydrophobicContact CG-CG2 3.94Å; T917-H919 PolarHBondContact O-N 2.99Å; T917-H919 VanDerWaalsContact O-N 3.13Å; T917-H919 PolarHBondContact OG1-CE1 3.46Å; T917-H919 PolarHBondContact OG1-N 2.78Å; T917-H919 PolarHBondContact OG1-ND1 3.46Å; T917-K920 WeakPolarHBondContact CB-O 3.19Å; T917-K920 PolarHBondContact N-O 2.9Å; T917-K920 PolarHBondContact OG1-N 2.94Å; T917-K920 VanDerWaalsContact OG1-N 3.11Å; T917-K920 PolarHBondContact OG1-O 3.32Å
918S77.1Confident87.3Confident80 Ų8045.2 Ų45.256%0.55925%0.248SC*.SBendtrans-61.1-16.4177.456.20000116
919H77.5Confident88.1Confident90 Ų9042.5 Ų42.542%0.41726%0.258SS..SBendtrans-137.1-17.5-169.953.2-77.2000113.9T917 H950T917-H919 PolarHBondContact O-N 2.99Å; T917-H919 VanDerWaalsContact O-N 3.13Å; T917-H919 PolarHBondContact OG1-CE1 3.46Å; T917-H919 PolarHBondContact OG1-N 2.78Å; T917-H919 PolarHBondContact OG1-ND1 3.46Å; H919-H950 AromaticContact CE1-CE1 3.67Å; H919-H950 AromaticContact CE1-ND1 3.72Å
920K83.8Confident88.6Confident77 Ų7744.7 Ų44.734%0.33527%0.267SS..  trans-154.6136.6-176.9-165.7156.6157.9-168.90110.9T917 E943 D944 C945T917-K920 WeakPolarHBondContact CB-O 3.19Å; T917-K920 PolarHBondContact N-O 2.9Å; T917-K920 PolarHBondContact OG1-N 2.94Å; T917-K920 VanDerWaalsContact OG1-N 3.11Å; T917-K920 PolarHBondContact OG1-O 3.32Å; K920-E943 PolarHBondContact NZ-O 2.92Å; K920-D944 VanDerWaalsContact CD-O 3.28Å; K920-D944 WeakPolarHBondContact CD-O 3.49Å; K920-D944 PolarHBondContact NZ-O 2.8Å; K920-C945 WeakPolarHBondContact CE-SG 3.45Å; K920-C945 PolarHBondContact NZ-SG 2.86Å
921S89.7Confident88.7Confident80 Ų8045.5 Ų45.556%0.55927%0.272SS*.EExtended strand (participates in β ladder)trans-103.2136.2164.5-71.70000108.9L915 D916L915-S921 CarbonylContact O-C 3.6Å; L915-S921 VanDerWaalsContact O-CA 3.3Å; L915-S921 WeakPolarHBondContact O-CA 3.06Å; D916-S921 VanDerWaalsContact OD1-CB 3.31Å; D916-S921 WeakPolarHBondContact OD1-CB 3.34Å; D916-S921 PolarHBondContact OD1-OG 2.66Å
922V91.9Very high88.7Confident24 Ų2452.2 Ų52.215%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-137.6135.1-179.661.80000110.3R914 L915 F924 L940 C945R914-V922 WeakPolarHBondContact CA-O 3.24Å; L915-V922 HydrophobicContact CB-CG1 3.92Å; L915-V922 HydrophobicContact CD2-CG1 4.09Å; L915-V922 HydrophobicContact CG-CG1 4.37Å; L915-V922 PolarHBondContact N-O 3.44Å; L915-V922 PolarHBondContact O-N 2.78Å; V922-F924 HydrophobicContact CG1-CD1 4.43Å; V922-L940 HydrophobicContact CG1-CD2 4.19Å; V922-L940 HydrophobicContact CG2-CD2 4.28Å; V922-C945 HydrophobicContact CG1-CB 4.25Å
923T93.8Very high88.8Confident97 Ų9752.7 Ų52.760%0.59530%0.304SS*.EExtended strand (participates in β ladder)trans-104.1126.7169.348.50000109.2L900 C913 R914L900-T923 HydrophobicContact CD1-CG2 3.96Å; C913-T923 VanDerWaalsContact O-CA 3.32Å; C913-T923 WeakPolarHBondContact O-CA 3.02Å; R914-T923 HydrophobicContact CB-CG2 3.98Å; R914-T923 HydrophobicContact CG-CG2 3.79Å
924F93.9Very high88.6Confident30 Ų3055.4 Ų55.413%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-137158.318065.2-87.9000111.4M897 C913 L915 V922 F926 I936 L940 L958M897-F924 HydrophobicContact SD-CE1 4.07Å; M897-F924 HydrophobicContact SD-CZ 3.74Å; C913-F924 HydrophobicContact CB-CE1 4.15Å; C913-F924 HydrophobicContact CB-CE2 4.28Å; C913-F924 HydrophobicContact CB-CZ 3.94Å; C913-F924 PolarHBondContact N-O 2.71Å; C913-F924 PolarHBondContact O-N 3.13Å; L915-F924 HydrophobicContact CB-CE1 4.02Å; V922-F924 HydrophobicContact CG1-CD1 4.43Å; F924-F926 HydrophobicContact CD2-CD1 4.04Å; F924-F926 AromaticContact CE2-CD1 3.65Å; F924-F926 HydrophobicContact CE2-CD1 3.65Å; F924-F926 HydrophobicContact CE2-CE1 4.07Å; F924-I936 HydrophobicContact CD2-CG2 4.09Å; F924-I936 HydrophobicContact CE2-CG2 3.69Å; F924-I936 HydrophobicContact CZ-CG2 4.24Å; F924-L940 HydrophobicContact CD1-CD1 4.23Å; F924-L940 HydrophobicContact CD1-CD2 4.41Å; F924-L940 HydrophobicContact CE1-CD1 3.98Å; F924-L940 HydrophobicContact CZ-CD1 4.28Å; F924-L958 HydrophobicContact CE2-CD2 4.08Å; F924-L958 HydrophobicContact CZ-CD2 4.16Å
925Q92.7Very high88.5Confident94 Ų9455.6 Ų55.644%0.43933%0.329SS..EExtended strand (participates in β ladder)trans-115.8146.1172.3-75.2-177.5-10.900110.4V911 S912V911-Q925 VanDerWaalsContact O-CA 3.28Å; V911-Q925 WeakPolarHBondContact O-CA 3.5Å; S912-Q925 WeakPolarHBondContact OG-CG 3.3Å; S912-Q925 PolarHBondContact OG-NE2 3.03Å
926F93.3Very high88.4Confident4 Ų456.2 Ų56.22%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-149158.3173.570.8-80.8000110.3V911 F924 P928 D931 I936 L958 V961 I962V911-F926 HydrophobicContact CB-CD1 4.29Å; V911-F926 HydrophobicContact CB-CE1 3.89Å; V911-F926 HydrophobicContact CB-CE2 4.48Å; V911-F926 HydrophobicContact CB-CZ 4Å; V911-F926 HydrophobicContact CG1-CD1 4.5Å; V911-F926 HydrophobicContact CG1-CE1 3.7Å; V911-F926 HydrophobicContact CG1-CZ 3.88Å; V911-F926 PolarHBondContact N-O 3.11Å; V911-F926 PolarHBondContact O-N 3.02Å; V911-F926 VanDerWaalsContact O-N 3.13Å; F924-F926 HydrophobicContact CD2-CD1 4.04Å; F924-F926 AromaticContact CE2-CD1 3.65Å; F924-F926 HydrophobicContact CE2-CD1 3.65Å; F924-F926 HydrophobicContact CE2-CE1 4.07Å; F926-P928 HydrophobicContact CE2-CG 4.07Å; F926-D931 HydrophobicContact CB-CB 4Å; F926-D931 HydrophobicContact CD2-CB 4.42Å; F926-I936 HydrophobicContact CB-CD1 3.74Å; F926-I936 HydrophobicContact CB-CG1 4.37Å; F926-I936 HydrophobicContact CD1-CD1 4.33Å; F926-I936 HydrophobicContact CD2-CD1 3.66Å; F926-I936 HydrophobicContact CE2-CD1 4.33Å; F926-I936 HydrophobicContact CG-CD1 3.65Å; F926-L958 HydrophobicContact CD1-CD2 4.22Å; F926-L958 HydrophobicContact CE1-CD2 3.68Å; F926-L958 HydrophobicContact CE2-CD2 4.18Å; F926-L958 HydrophobicContact CZ-CD2 3.65Å; F926-V961 HydrophobicContact CE1-CG1 4.35Å; F926-V961 HydrophobicContact CZ-CB 4.47Å; F926-V961 HydrophobicContact CZ-CG1 3.79Å; F926-I962 HydrophobicContact CE2-CD1 4.15Å; F926-I962 HydrophobicContact CE2-CG1 3.73Å; F926-I962 HydrophobicContact CZ-CG1 4.32Å
927A89.3Confident88.5Confident8 Ų854.5 Ų54.57%0.06632%0.323CS..  trans-103.6114175.800000110F908 L910 G929 T930 D931F908-A927 HydrophobicContact CB-CB 4.25Å; L910-A927 HydrophobicContact CD2-CB 4.29Å; A927-G929 PolarHBondContact O-N 3.39Å; A927-T930 WeakPolarHBondContact CB-OG1 3.43Å; A927-T930 PolarHBondContact O-N 3.47Å; A927-T930 PolarHBondContact O-OG1 2.88Å; A927-D931 PolarHBondContact N-OD2 2.84Å; A927-D931 PolarHBondContact O-N 2.97Å
928P85.2Confident88.6Confident19 Ų1957.5 Ų57.512%0.12334%0.342CS..THydrogen-bonded Turntrans-58.1-21.6-174.3-28.736.5000115.7A909 V911 F926 I962A909-P928 VanDerWaalsContact O-CD 3.27Å; A909-P928 WeakPolarHBondContact O-CD 3.28Å; V911-P928 HydrophobicContact CB-CG 4.33Å; V911-P928 HydrophobicContact CG2-CG 3.39Å; F926-P928 HydrophobicContact CE2-CG 4.07Å; P928-I962 HydrophobicContact CB-CG1 4.24Å; P928-I962 HydrophobicContact CB-CG2 4.4Å
929G79.4Confident89.3Confident80 Ų8059.5 Ų59.583%0.82534%0.34SS*.THydrogen-bonded Turntrans-85.5-10.9177.100000115.2A927A927-G929 PolarHBondContact O-N 3.39Å
930T83.5Confident90Very high92 Ų9255.6 Ų55.656%0.56432%0.323SS*.THydrogen-bonded Turntrans-130.7-35.2-175.1550000114.1A927A927-T930 WeakPolarHBondContact CB-OG1 3.43Å; A927-T930 PolarHBondContact O-N 3.47Å; A927-T930 PolarHBondContact O-OG1 2.88Å
931D88.7Confident90.4Very high45 Ų4554.4 Ų54.424%0.24132%0.32CS..  trans-91.1116.3-177.4-67.6-62.9000111.7F926 A927 I936F926-D931 HydrophobicContact CB-CB 4Å; F926-D931 HydrophobicContact CD2-CB 4.42Å; A927-D931 PolarHBondContact N-OD2 2.84Å; A927-D931 PolarHBondContact O-N 2.97Å; D931-I936 HydrophobicContact CB-CD1 3.88Å; D931-I936 HydrophobicContact CB-CG1 4.03Å
932K90.6Very high90.4Very high141 Ų14154.6 Ų54.661%0.61333%0.326SS*.  trans-77.4143176.1-62.1-177.6-179.9-179.20111.1C934 T935 I936K932-C934 VanDerWaalsContact C-N 3.29Å; K932-C934 PolarHBondContact O-N 2.95Å; K932-T935 WeakPolarHBondContact O-CB 3.34Å; K932-T935 PolarHBondContact O-N 3.13Å; K932-I936 PolarHBondContact O-N 2.85Å; K932-I936 VanDerWaalsContact O-N 3.13Å
933P92.2Very high90.2Very high35 Ų3559.6 Ų59.623%0.22735%0.348CS..Hα-helixtrans-48.6-45.4176.1-32.637.2000114.6T935 I936 A937 E955 L958 I962P933-T935 PolarHBondContact O-N 3.25Å; P933-I936 PolarHBondContact O-N 3.04Å; P933-A937 WeakPolarHBondContact O-CB 3.08Å; P933-A937 PolarHBondContact O-N 3.35Å; P933-E955 HydrophobicContact CB-CB 4.44Å; P933-L958 HydrophobicContact CB-CB 3.82Å; P933-L958 HydrophobicContact CB-CD1 4.47Å; P933-L958 HydrophobicContact CG-CB 4.11Å; P933-I962 HydrophobicContact CG-CD1 3.79Å
934C91.4Very high89.9Confident56 Ų5661.1 Ų61.138%0.37835%0.352SS..Hα-helixtrans-64.6-36.2178.860.60000113.3K932 T938 E955K932-C934 VanDerWaalsContact C-N 3.29Å; K932-C934 PolarHBondContact O-N 2.95Å; C934-T938 WeakPolarHBondContact O-CB 3.48Å; C934-T938 PolarHBondContact O-N 3.03Å; C934-T938 PolarHBondContact O-OG1 2.86Å; C934-E955 WeakPolarHBondContact CA-OE1 3.15Å; C934-E955 WeakPolarHBondContact CB-OE1 3.29Å
935T91.6Very high89.5Confident61 Ų6160 Ų6037%0.37435%0.348SS..Hα-helixtrans-65.6-42.3175.5-53.20000110.9K932 P933 K939K932-T935 WeakPolarHBondContact O-CB 3.34Å; K932-T935 PolarHBondContact O-N 3.13Å; P933-T935 PolarHBondContact O-N 3.25Å; T935-K939 WeakPolarHBondContact O-CG 3.47Å; T935-K939 PolarHBondContact O-N 2.89Å
936I92.8Very high89.4Confident13 Ų1355.8 Ų55.87%0.06733%0.328CS..Hα-helixtrans-66.9-49.9178-58163.2000109.9F924 F926 D931 K932 P933 T938 K939 L940 L958F924-I936 HydrophobicContact CD2-CG2 4.09Å; F924-I936 HydrophobicContact CE2-CG2 3.69Å; F924-I936 HydrophobicContact CZ-CG2 4.24Å; F926-I936 HydrophobicContact CB-CD1 3.74Å; F926-I936 HydrophobicContact CB-CG1 4.37Å; F926-I936 HydrophobicContact CD1-CD1 4.33Å; F926-I936 HydrophobicContact CD2-CD1 3.66Å; F926-I936 HydrophobicContact CE2-CD1 4.33Å; F926-I936 HydrophobicContact CG-CD1 3.65Å; D931-I936 HydrophobicContact CB-CD1 3.88Å; D931-I936 HydrophobicContact CB-CG1 4.03Å; K932-I936 PolarHBondContact O-N 2.85Å; K932-I936 VanDerWaalsContact O-N 3.13Å; P933-I936 PolarHBondContact O-N 3.04Å; I936-T938 VanDerWaalsContact C-N 3.3Å; I936-T938 PolarHBondContact O-N 2.8Å; I936-K939 PolarHBondContact O-N 2.9Å; I936-L940 HydrophobicContact CG2-CD1 3.99Å; I936-L940 HydrophobicContact CG2-CG 4.43Å; I936-L940 WeakPolarHBondContact O-CG 3.28Å; I936-L940 PolarHBondContact O-N 3.09Å; I936-L958 HydrophobicContact CB-CD1 3.72Å; I936-L958 HydrophobicContact CD1-CD1 4.02Å; I936-L958 HydrophobicContact CD1-CD2 3.9Å; I936-L958 HydrophobicContact CG1-CD1 4.49Å; I936-L958 HydrophobicContact CG2-CD1 3.66Å
937A92.9Very high89.1Confident0 Ų059.7 Ų59.70%035%0.349CS..Hα-helixtrans-62-36.3178.800000112.5P933 L941 V951 E955P933-A937 WeakPolarHBondContact O-CB 3.08Å; P933-A937 PolarHBondContact O-N 3.35Å; A937-L941 WeakPolarHBondContact O-CB 3.43Å; A937-L941 PolarHBondContact O-N 3.38Å; A937-V951 HydrophobicContact CB-CG1 4.14Å; A937-E955 HydrophobicContact CB-CG 3.63Å
938T89.6Confident89Confident81 Ų8167.7 Ų67.750%0.49738%0.382SS..Hα-helixtrans-69.5-40.7175-57.50000112.1C934 I936 L941 A942C934-T938 WeakPolarHBondContact O-CB 3.48Å; C934-T938 PolarHBondContact O-N 3.03Å; C934-T938 PolarHBondContact O-OG1 2.86Å; I936-T938 VanDerWaalsContact C-N 3.3Å; I936-T938 PolarHBondContact O-N 2.8Å; T938-L941 PolarHBondContact O-N 3.21Å; T938-A942 WeakPolarHBondContact O-CB 3.33Å; T938-A942 PolarHBondContact O-N 2.89Å
939K90.8Very high88.9Confident122 Ų12271.2 Ų71.253%0.5340%0.404SS..Hα-helixtrans-61.5-46.9172.5-79.2179.1176.2179.40111.5T935 I936 L941 A942 E943T935-K939 WeakPolarHBondContact O-CG 3.47Å; T935-K939 PolarHBondContact O-N 2.89Å; I936-K939 PolarHBondContact O-N 2.9Å; K939-L941 VanDerWaalsContact C-N 3.28Å; K939-L941 PolarHBondContact O-N 2.96Å; K939-A942 PolarHBondContact O-N 2.8Å; K939-E943 PolarHBondContact O-N 3.08Å
940L93.2Very high89.4Confident9 Ų967.7 Ų67.75%0.04737%0.365CS..Hα-helixtrans-64.1-32.4177.5-67.7172.6000112.2L915 V922 F924 I936 C945 L946 V954L915-L940 HydrophobicContact CD2-CD1 4.27Å; V922-L940 HydrophobicContact CG1-CD2 4.19Å; V922-L940 HydrophobicContact CG2-CD2 4.28Å; F924-L940 HydrophobicContact CD1-CD1 4.23Å; F924-L940 HydrophobicContact CD1-CD2 4.41Å; F924-L940 HydrophobicContact CE1-CD1 3.98Å; F924-L940 HydrophobicContact CZ-CD1 4.28Å; I936-L940 HydrophobicContact CG2-CD1 3.99Å; I936-L940 HydrophobicContact CG2-CG 4.43Å; I936-L940 WeakPolarHBondContact O-CG 3.28Å; I936-L940 PolarHBondContact O-N 3.09Å; L940-C945 HydrophobicContact CB-CB 4.05Å; L940-C945 HydrophobicContact CD2-CB 3.86Å; L940-C945 CarbonylContact O-C 3.52Å; L940-C945 VanDerWaalsContact O-CA 3.28Å; L940-C945 WeakPolarHBondContact O-CA 3.36Å; L940-C945 WeakPolarHBondContact O-CB 3.44Å; L940-C945 PolarHBondContact O-N 3.04Å; L940-L946 HydrophobicContact CB-CD1 3.55Å; L940-L946 HydrophobicContact CD1-CD1 3.96Å; L940-L946 HydrophobicContact CG-CD1 4.39Å; L940-L946 PolarHBondContact O-N 2.65Å; L940-L946 VanDerWaalsContact O-N 3.16Å; L940-V954 HydrophobicContact CD1-CG1 4.39Å
941L92Very high89.6Confident52 Ų5264.1 Ų64.127%0.27234%0.344SS..Hα-helixtrans-67-38.4170-178.667.1000112.1A937 T938 K939 D944 L946 K948 V951A937-L941 WeakPolarHBondContact O-CB 3.43Å; A937-L941 PolarHBondContact O-N 3.38Å; T938-L941 PolarHBondContact O-N 3.21Å; K939-L941 VanDerWaalsContact C-N 3.28Å; K939-L941 PolarHBondContact O-N 2.96Å; L941-D944 PolarHBondContact O-N 2.88Å; L941-L946 HydrophobicContact CB-CB 4.49Å; L941-L946 HydrophobicContact CD1-CB 4.46Å; L941-L946 WeakPolarHBondContact CD1-O 3.42Å; L941-K948 HydrophobicContact CD1-CG 3.97Å; L941-K948 HydrophobicContact CD2-CG 4.32Å; L941-V951 HydrophobicContact CD1-CG2 4.37Å; L941-V951 HydrophobicContact CD2-CG2 4.05Å
942A88.8Confident89.6Confident84 Ų8469 Ų6969%0.69437%0.365SS*.Hα-helixtrans-74.3-20.4-179.700000114.3T938 K939T938-A942 WeakPolarHBondContact O-CB 3.33Å; T938-A942 PolarHBondContact O-N 2.89Å; K939-A942 PolarHBondContact O-N 2.8Å
943E89.4Confident89.5Confident128 Ų12862.6 Ų62.660%0.59834%0.337SS*.THydrogen-bonded Turntrans-97.418.4174.4-66.3-178.1-174.500113.1K920 K939 C945K920-E943 PolarHBondContact NZ-O 2.92Å; K939-E943 PolarHBondContact O-N 3.08Å; E943-C945 PolarHBondContact O-N 2.91Å; E943-C945 PolarHBondContact O-SG 2.93Å; E943-C945 VanDerWaalsContact O-SG 3.41Å
944D87.3Confident89.5Confident129 Ų12961 Ų6169%0.6933%0.326SS*.THydrogen-bonded Turntrans50.528.9-173.3-66.5-46.7000113.2K920 L941K920-D944 VanDerWaalsContact CD-O 3.28Å; K920-D944 WeakPolarHBondContact CD-O 3.49Å; K920-D944 PolarHBondContact NZ-O 2.8Å; L941-D944 PolarHBondContact O-N 2.88Å
945C85.9Confident89.6Confident6 Ų660.5 Ų60.54%0.04132%0.319CS..SBendtrans-87.8-11.7176.7-63.90000112.4K920 V922 L940 E943K920-C945 WeakPolarHBondContact CE-SG 3.45Å; K920-C945 PolarHBondContact NZ-SG 2.86Å; V922-C945 HydrophobicContact CG1-CB 4.25Å; L940-C945 HydrophobicContact CB-CB 4.05Å; L940-C945 HydrophobicContact CD2-CB 3.86Å; L940-C945 CarbonylContact O-C 3.52Å; L940-C945 VanDerWaalsContact O-CA 3.28Å; L940-C945 WeakPolarHBondContact O-CA 3.36Å; L940-C945 WeakPolarHBondContact O-CB 3.44Å; L940-C945 PolarHBondContact O-N 3.04Å; E943-C945 PolarHBondContact O-N 2.91Å; E943-C945 PolarHBondContact O-SG 2.93Å; E943-C945 VanDerWaalsContact O-SG 3.41Å
946L88.9Confident89.5Confident6 Ų659.6 Ų59.63%0.03132%0.317CS..SBendtrans-133.7153.3174.3-105.389.5000111L915 L940 L941 H950 V951 V954L915-L946 HydrophobicContact CD2-CD1 3.55Å; L940-L946 HydrophobicContact CB-CD1 3.55Å; L940-L946 HydrophobicContact CD1-CD1 3.96Å; L940-L946 HydrophobicContact CG-CD1 4.39Å; L940-L946 PolarHBondContact O-N 2.65Å; L940-L946 VanDerWaalsContact O-N 3.16Å; L941-L946 HydrophobicContact CB-CB 4.49Å; L941-L946 HydrophobicContact CD1-CB 4.46Å; L941-L946 WeakPolarHBondContact CD1-O 3.42Å; L946-H950 HydrophobicContact CD2-CB 3.71Å; L946-H950 HydrophobicContact CG-CB 3.96Å; L946-V951 HydrophobicContact CD2-CB 4.47Å; L946-V951 HydrophobicContact CD2-CG2 4.08Å; L946-V954 HydrophobicContact CD1-CG1 4.37Å; L946-V954 HydrophobicContact CD1-CG2 4.18Å; L946-V954 HydrophobicContact CD2-CB 4.04Å; L946-V954 HydrophobicContact CD2-CG2 3.93Å; L946-V954 HydrophobicContact CG-CG2 4.38Å
947L88Confident89.5Confident87 Ų8759 Ų5946%0.45531%0.314SS..  trans-88.1153.4156.7-71.1166.9000109.5V949 H950L947-V949 HydrophobicContact CB-CG1 4.04Å; L947-V949 PolarHBondContact O-N 3.45Å; L947-V949 VanDerWaalsContact O-N 3.09Å; L947-H950 PolarHBondContact O-N 2.86Å
948K86.1Confident89.6Confident175 Ų17559 Ų5976%0.76131%0.314SS*.G310 helixtrans-50-37.6176.7-70.5-176.7177.6178.50113.3L941 H950 V951L941-K948 HydrophobicContact CD1-CG 3.97Å; L941-K948 HydrophobicContact CD2-CG 4.32Å; K948-H950 PolarHBondContact O-N 3.14Å; K948-V951 WeakPolarHBondContact O-CG2 3.47Å; K948-V951 PolarHBondContact O-N 2.96Å
949V84.9Confident89.6Confident94 Ų9456.5 Ų56.557%0.5731%0.305SS*.G310 helixtrans-67.5-17.4178.668.80000114.2L947L947-V949 HydrophobicContact CB-CG1 4.04Å; L947-V949 PolarHBondContact O-N 3.45Å; L947-V949 VanDerWaalsContact O-N 3.09Å
950H88.1Confident89.5Confident5 Ų554.2 Ų54.22%0.02330%0.296CS..G310 helixtrans-92.2-9.7178.8-61.6162.8000113.8H919 L946 L947 K948 I953 V954H919-H950 AromaticContact CE1-CE1 3.67Å; H919-H950 AromaticContact CE1-ND1 3.72Å; L946-H950 HydrophobicContact CD2-CB 3.71Å; L946-H950 HydrophobicContact CG-CB 3.96Å; L947-H950 PolarHBondContact O-N 2.86Å; K948-H950 PolarHBondContact O-N 3.14Å; H950-I953 WeakPolarHBondContact O-CB 3.45Å; H950-I953 PolarHBondContact O-N 3.47Å; H950-V954 PolarHBondContact O-N 3.44Å; H950-V954 VanDerWaalsContact O-N 3.09Å
951V89.4Confident89.3Confident18 Ų1853.9 Ų53.911%0.10930%0.295CS..Hα-helixtrans-57.5-58.3-169174.20000111.5A937 L941 L946 K948 I953 V954 E955A937-V951 HydrophobicContact CB-CG1 4.14Å; L941-V951 HydrophobicContact CD1-CG2 4.37Å; L941-V951 HydrophobicContact CD2-CG2 4.05Å; L946-V951 HydrophobicContact CD2-CB 4.47Å; L946-V951 HydrophobicContact CD2-CG2 4.08Å; K948-V951 WeakPolarHBondContact O-CG2 3.47Å; K948-V951 PolarHBondContact O-N 2.96Å; V951-I953 PolarHBondContact O-N 3.19Å; V951-V954 PolarHBondContact O-N 3.2Å; V951-V954 VanDerWaalsContact O-N 3.1Å; V951-E955 HydrophobicContact CG1-CG 4.35Å; V951-E955 WeakPolarHBondContact O-CG 3.35Å; V951-E955 PolarHBondContact O-N 2.83Å
952H87.4Confident89.2Confident146 Ų14652.6 Ų52.668%0.67629%0.288SS*.Hα-helixtrans-62.6-26.4-179.1-62.5-39.8000114E955 A956H952-E955 WeakPolarHBondContact CA-OE2 3.17Å; H952-E955 IonicContact CE1-OE2 2.71Å; H952-E955 IonicContact CG-OE2 2.62Å; H952-E955 IonicContact ND1-OE2 2.89Å; H952-E955 PolarHBondContact ND1-OE2 3.29Å; H952-A956 WeakPolarHBondContact O-CB 3.43Å; H952-A956 PolarHBondContact O-N 3.12Å
953I89.7Confident89Confident8 Ų854.9 Ų54.94%0.04128%0.284CS..Hα-helixtrans-68.8-46.1175.8-51.3171.7000109.9V895 H950 V951 A956 Q957 T979 L981V895-I953 HydrophobicContact CB-CG2 4.1Å; V895-I953 HydrophobicContact CG1-CG2 4.16Å; V895-I953 HydrophobicContact CG2-CD1 4.16Å; H950-I953 WeakPolarHBondContact O-CB 3.45Å; H950-I953 PolarHBondContact O-N 3.47Å; V951-I953 PolarHBondContact O-N 3.19Å; I953-A956 PolarHBondContact O-N 3.49Å; I953-Q957 WeakPolarHBondContact O-CB 3.32Å; I953-Q957 WeakPolarHBondContact O-CG 3.32Å; I953-Q957 PolarHBondContact O-N 2.85Å; I953-T979 HydrophobicContact CG2-CG2 3.8Å; I953-L981 HydrophobicContact CD1-CD1 3.65Å; I953-L981 HydrophobicContact CD1-CD2 3.79Å; I953-L981 HydrophobicContact CD1-CG 3.78Å
954V92.3Very high88.7Confident0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-74.5-32.8-179.1173.90000111.1V895 M897 L915 L940 L946 H950 V951 L958V895-V954 HydrophobicContact CG1-CG2 4.08Å; M897-V954 HydrophobicContact CE-CG1 4.22Å; L915-V954 HydrophobicContact CD1-CG2 3.83Å; L915-V954 HydrophobicContact CD2-CG1 4.26Å; L915-V954 HydrophobicContact CD2-CG2 3.95Å; L940-V954 HydrophobicContact CD1-CG1 4.39Å; L946-V954 HydrophobicContact CD1-CG1 4.37Å; L946-V954 HydrophobicContact CD1-CG2 4.18Å; L946-V954 HydrophobicContact CD2-CB 4.04Å; L946-V954 HydrophobicContact CD2-CG2 3.93Å; L946-V954 HydrophobicContact CG-CG2 4.38Å; H950-V954 PolarHBondContact O-N 3.44Å; H950-V954 VanDerWaalsContact O-N 3.09Å; V951-V954 PolarHBondContact O-N 3.2Å; V951-V954 VanDerWaalsContact O-N 3.1Å; V954-L958 HydrophobicContact CG1-CD1 4.01Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.46Å; V954-L958 WeakPolarHBondContact O-CD1 3.25Å; V954-L958 WeakPolarHBondContact O-CG 3.45Å; V954-L958 PolarHBondContact O-N 2.8Å
955E92.8Very high88.4Confident46 Ų4645.6 Ų45.622%0.21524%0.238CC..Hα-helixtrans-59.2-47.7167.9-70.9179.5131.600111.9P933 C934 A937 V951 H952 L958 G959P933-E955 HydrophobicContact CB-CB 4.44Å; C934-E955 WeakPolarHBondContact CA-OE1 3.15Å; C934-E955 WeakPolarHBondContact CB-OE1 3.29Å; A937-E955 HydrophobicContact CB-CG 3.63Å; V951-E955 HydrophobicContact CG1-CG 4.35Å; V951-E955 WeakPolarHBondContact O-CG 3.35Å; V951-E955 PolarHBondContact O-N 2.83Å; H952-E955 WeakPolarHBondContact CA-OE2 3.17Å; H952-E955 IonicContact CE1-OE2 2.71Å; H952-E955 IonicContact CG-OE2 2.62Å; H952-E955 IonicContact ND1-OE2 2.89Å; H952-E955 PolarHBondContact ND1-OE2 3.29Å; E955-L958 PolarHBondContact O-N 3.02Å; E955-G959 PolarHBondContact O-N 3.04Å
956A90.1Very high88.2Confident42 Ų4250.8 Ų50.835%0.34727%0.266SS..Hα-helixtrans-67.5-43.6179.700000112.3H952 I953 L958 G959 E960 I991H952-A956 WeakPolarHBondContact O-CB 3.43Å; H952-A956 PolarHBondContact O-N 3.12Å; I953-A956 PolarHBondContact O-N 3.49Å; A956-L958 VanDerWaalsContact C-N 3.33Å; A956-L958 PolarHBondContact O-N 3.01Å; A956-G959 PolarHBondContact O-N 2.75Å; A956-G959 VanDerWaalsContact O-N 3.16Å; A956-E960 PolarHBondContact O-N 3.42Å; A956-I991 HydrophobicContact CB-CD1 3.9Å
957Q92.3Very high87.4Confident0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-63.9-35.2174-71.5-179.11.700112.1V895 M897 I953 E960 V961 L977 T979 I991V895-Q957 PolarHBondContact O-NE2 3.41Å; M897-Q957 VanDerWaalsContact CB-OE1 3.29Å; M897-Q957 HydrophobicContact CE-CB 3.39Å; I953-Q957 WeakPolarHBondContact O-CB 3.32Å; I953-Q957 WeakPolarHBondContact O-CG 3.32Å; I953-Q957 PolarHBondContact O-N 2.85Å; Q957-E960 PolarHBondContact O-N 3.43Å; Q957-V961 WeakPolarHBondContact O-CG2 3.49Å; Q957-V961 PolarHBondContact O-N 3.06Å; Q957-L977 HydrophobicContact CB-CD1 3.99Å; Q957-L977 HydrophobicContact CG-CB 4.23Å; Q957-L977 HydrophobicContact CG-CD1 4.35Å; Q957-L977 VanDerWaalsContact O-CD1 3.28Å; Q957-L977 WeakPolarHBondContact O-CD1 3.34Å; Q957-T979 PolarHBondContact NE2-OG1 2.85Å; Q957-I991 HydrophobicContact CG-CD1 4.09Å; Q957-I991 HydrophobicContact CG-CG1 4.38Å
958L93.8Very high86.4Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-66.8-36.5171.9-84.7163000112.5M897 F924 F926 P933 I936 V954 E955 A956 V961 I962M897-L958 HydrophobicContact CE-CD2 4.45Å; M897-L958 HydrophobicContact CE-CG 3.91Å; F924-L958 HydrophobicContact CE2-CD2 4.08Å; F924-L958 HydrophobicContact CZ-CD2 4.16Å; F926-L958 HydrophobicContact CD1-CD2 4.22Å; F926-L958 HydrophobicContact CE1-CD2 3.68Å; F926-L958 HydrophobicContact CE2-CD2 4.18Å; F926-L958 HydrophobicContact CZ-CD2 3.65Å; P933-L958 HydrophobicContact CB-CB 3.82Å; P933-L958 HydrophobicContact CB-CD1 4.47Å; P933-L958 HydrophobicContact CG-CB 4.11Å; I936-L958 HydrophobicContact CB-CD1 3.72Å; I936-L958 HydrophobicContact CD1-CD1 4.02Å; I936-L958 HydrophobicContact CD1-CD2 3.9Å; I936-L958 HydrophobicContact CG1-CD1 4.49Å; I936-L958 HydrophobicContact CG2-CD1 3.66Å; V954-L958 HydrophobicContact CG1-CD1 4.01Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.46Å; V954-L958 WeakPolarHBondContact O-CD1 3.25Å; V954-L958 WeakPolarHBondContact O-CG 3.45Å; V954-L958 PolarHBondContact O-N 2.8Å; E955-L958 PolarHBondContact O-N 3.02Å; A956-L958 VanDerWaalsContact C-N 3.33Å; A956-L958 PolarHBondContact O-N 3.01Å; L958-V961 PolarHBondContact O-N 3.16Å; L958-I962 WeakPolarHBondContact O-CB 3.34Å; L958-I962 VanDerWaalsContact O-CG1 3.3Å; L958-I962 WeakPolarHBondContact O-CG1 3.27Å; L958-I962 PolarHBondContact O-N 3.41Å
959G91.2Very high85.3Confident30 Ų3046.8 Ų46.831%0.30927%0.266SS..Hα-helixtrans-57.2-48.9171.200000112E955 A956 I962 Q963E955-G959 PolarHBondContact O-N 3.04Å; A956-G959 PolarHBondContact O-N 2.75Å; A956-G959 VanDerWaalsContact O-N 3.16Å; G959-I962 PolarHBondContact O-N 3.26Å; G959-Q963 WeakPolarHBondContact O-CB 3.41Å; G959-Q963 PolarHBondContact O-N 3.35Å
960E88.5Confident84Confident74 Ų7449.2 Ų49.235%0.34627%0.269SS..Hα-helixtrans-57.7-48.7172.9-80.1-112.6135.600112.2A956 Q957 I962 Q963 L964 L977 I991A956-E960 PolarHBondContact O-N 3.42Å; Q957-E960 PolarHBondContact O-N 3.43Å; E960-I962 PolarHBondContact O-N 2.91Å; E960-Q963 PolarHBondContact O-N 3.13Å; E960-L964 VanDerWaalsContact O-CB 3.3Å; E960-L964 WeakPolarHBondContact O-CB 3.28Å; E960-L964 PolarHBondContact O-N 3.35Å; E960-L977 HydrophobicContact CB-CD1 3.63Å; E960-L977 HydrophobicContact CB-CD2 4.45Å; E960-L977 WeakPolarHBondContact OE2-CD2 3.45Å; E960-I991 HydrophobicContact CG-CD1 4Å; E960-I991 HydrophobicContact CG-CG2 4.43Å
961V89.1Confident82.8Confident1 Ų155.8 Ų55.81%0.00630%0.297CS..Hα-helixtrans-59.2-44.9179.1174.60000111.6I899 V911 F926 Q957 L958 L964 I965 L977I899-V961 HydrophobicContact CD1-CB 4.36Å; I899-V961 HydrophobicContact CD1-CG1 3.88Å; I899-V961 HydrophobicContact CD1-CG2 4.02Å; I899-V961 HydrophobicContact CG1-CG1 4.04Å; I899-V961 HydrophobicContact CG1-CG2 3.99Å; V911-V961 HydrophobicContact CG1-CG1 3.88Å; F926-V961 HydrophobicContact CE1-CG1 4.35Å; F926-V961 HydrophobicContact CZ-CB 4.47Å; F926-V961 HydrophobicContact CZ-CG1 3.79Å; Q957-V961 WeakPolarHBondContact O-CG2 3.49Å; Q957-V961 PolarHBondContact O-N 3.06Å; L958-V961 PolarHBondContact O-N 3.16Å; V961-L964 PolarHBondContact O-N 2.79Å; V961-I965 HydrophobicContact CG1-CD1 3.81Å; V961-I965 WeakPolarHBondContact O-CG1 3.11Å; V961-I965 PolarHBondContact O-N 3.19Å; V961-L977 HydrophobicContact CG2-CD1 3.79Å
962I88.6Confident81.8Confident26 Ų2655 Ų5513%0.13329%0.293CS..Hα-helixtrans-62.5-45.2177.3-70.5170.1000110.4F926 P928 P933 L958 G959 E960 L964 I965 N966F926-I962 HydrophobicContact CE2-CD1 4.15Å; F926-I962 HydrophobicContact CE2-CG1 3.73Å; F926-I962 HydrophobicContact CZ-CG1 4.32Å; P928-I962 HydrophobicContact CB-CG1 4.24Å; P928-I962 HydrophobicContact CB-CG2 4.4Å; P933-I962 HydrophobicContact CG-CD1 3.79Å; L958-I962 WeakPolarHBondContact O-CB 3.34Å; L958-I962 VanDerWaalsContact O-CG1 3.3Å; L958-I962 WeakPolarHBondContact O-CG1 3.27Å; L958-I962 PolarHBondContact O-N 3.41Å; G959-I962 PolarHBondContact O-N 3.26Å; E960-I962 PolarHBondContact O-N 2.91Å; I962-L964 PolarHBondContact O-N 2.91Å; I962-I965 PolarHBondContact O-N 2.94Å; I962-N966 WeakPolarHBondContact CG2-ND2 3.33Å; I962-N966 VanDerWaalsContact O-CB 3.23Å; I962-N966 WeakPolarHBondContact O-CB 3.32Å; I962-N966 PolarHBondContact O-N 3.27Å; I962-N966 PolarHBondContact O-ND2 3.41Å
963Q84.6Confident81.3Confident131 Ų13151 Ų5161%0.61228%0.278SS*.Hα-helixtrans-64.8-39.8179.2-170.8169.26.400112G959 E960 S967G959-Q963 WeakPolarHBondContact O-CB 3.41Å; G959-Q963 PolarHBondContact O-N 3.35Å; E960-Q963 PolarHBondContact O-N 3.13Å; Q963-S967 WeakPolarHBondContact O-CB 3.22Å; Q963-S967 PolarHBondContact O-N 3Å; Q963-S967 VanDerWaalsContact O-N 3.09Å; Q963-S967 PolarHBondContact O-OG 3.41Å
964L84.6Confident80.8Confident45 Ų4552.2 Ų52.224%0.23629%0.293CS..Hα-helixtrans-64.5-45.1178.9-156.773.9000111.8I899 E960 V961 I962 S967 D968 T975 M995I899-L964 HydrophobicContact CD1-CD2 3.86Å; E960-L964 VanDerWaalsContact O-CB 3.3Å; E960-L964 WeakPolarHBondContact O-CB 3.28Å; E960-L964 PolarHBondContact O-N 3.35Å; V961-L964 PolarHBondContact O-N 2.79Å; I962-L964 PolarHBondContact O-N 2.91Å; L964-S967 PolarHBondContact O-N 3.29Å; L964-D968 PolarHBondContact O-N 2.98Å; L964-D968 VanDerWaalsContact O-N 3.09Å; L964-T975 HydrophobicContact CD2-CG2 3.86Å; L964-M995 HydrophobicContact CD1-CE 3.87Å
965I80.9Confident80.4Confident17 Ų1752.3 Ų52.39%0.08729%0.293CS..Hα-helixtrans-78.6-32.1-176.6-66.8175000111.9I899 V911 V961 I962 S967 G969I899-I965 HydrophobicContact CD1-CD1 4.29Å; I899-I965 HydrophobicContact CG2-CD1 4.17Å; V911-I965 HydrophobicContact CB-CD1 4.09Å; V911-I965 HydrophobicContact CG1-CD1 3.42Å; V911-I965 VanDerWaalsContact CG1-CD1 3.42Å; V911-I965 HydrophobicContact CG2-CD1 3.45Å; V911-I965 VanDerWaalsContact CG2-CD1 3.45Å; V911-I965 HydrophobicContact CG2-CG2 4.1Å; V961-I965 HydrophobicContact CG1-CD1 3.81Å; V961-I965 WeakPolarHBondContact O-CG1 3.11Å; V961-I965 PolarHBondContact O-N 3.19Å; I962-I965 PolarHBondContact O-N 2.94Å; I965-S967 PolarHBondContact O-N 2.89Å; I965-G969 WeakPolarHBondContact O-CA 3.28Å; I965-G969 PolarHBondContact O-N 2.94Å
966N79.9Confident80.2Confident116 Ų11653.9 Ų53.962%0.6230%0.3SS*.Hα-helixtrans-69.5-17.7168.5-70.2-13.9000113I962I962-N966 WeakPolarHBondContact CG2-ND2 3.33Å; I962-N966 VanDerWaalsContact O-CB 3.23Å; I962-N966 WeakPolarHBondContact O-CB 3.32Å; I962-N966 PolarHBondContact O-N 3.27Å; I962-N966 PolarHBondContact O-ND2 3.41Å
967S74.1Confident80.2Confident93 Ų9352 Ų5265%0.6528%0.284SS*.Hα-helixtrans-88.2-45.6177.8-61.20000112.7Q963 L964 I965Q963-S967 WeakPolarHBondContact O-CB 3.22Å; Q963-S967 PolarHBondContact O-N 3Å; Q963-S967 VanDerWaalsContact O-N 3.09Å; Q963-S967 PolarHBondContact O-OG 3.41Å; L964-S967 PolarHBondContact O-N 3.29Å; I965-S967 PolarHBondContact O-N 2.89Å
968D66.3Low79.9Confident66 Ų6652.6 Ų52.635%0.35329%0.288SS..  trans-156.794177.5-162.2-38.9000110.7L964 K970 K971L964-D968 PolarHBondContact O-N 2.98Å; L964-D968 VanDerWaalsContact O-N 3.09Å; D968-K970 PolarHBondContact O-N 3.39Å; D968-K971 HydrophobicContact CB-CB 4.25Å; D968-K971 HydrophobicContact CB-CD 4.17Å; D968-K971 HydrophobicContact CB-CG 4.34Å; D968-K971 PolarHBondContact O-N 3.06Å; D968-K971 VanDerWaalsContact OD2-CD 3.29Å; D968-K971 WeakPolarHBondContact OD2-CD 3.38Å; D968-K971 WeakPolarHBondContact OD2-CE 3.27Å; D968-K971 IonicContact OD2-NZ 2.55Å; D968-K971 PolarHBondContact OD2-NZ 3.33Å
969G61.8Low79.3Confident24 Ų2452.6 Ų52.625%0.24729%0.289CS..THydrogen-bonded Turntrans-59.6-9.8-165.500000116.8I965I965-G969 WeakPolarHBondContact O-CA 3.28Å; I965-G969 PolarHBondContact O-N 2.94Å
970K59.3Low78.4Confident145 Ų14554 Ų5463%0.6329%0.291SS*.THydrogen-bonded Turntrans-113.2-10.1179.1-71.2172.5-1781640114.5E904 D968E904-K970 VanDerWaalsContact CD-CE 3.4Å; E904-K970 VanDerWaalsContact OE1-CE 3.24Å; E904-K970 WeakPolarHBondContact OE1-CE 3.36Å; E904-K970 IonicContact OE1-NZ 2.81Å; E904-K970 PolarHBondContact OE1-NZ 2.95Å; E904-K970 WeakPolarHBondContact OE2-CE 3.35Å; E904-K970 IonicContact OE2-NZ 2.61Å; E904-K970 PolarHBondContact OE2-NZ 3.41Å; D968-K970 PolarHBondContact O-N 3.39Å
971K61.4Low77.2Confident144 Ų14452.7 Ų52.763%0.62629%0.286SS*.THydrogen-bonded Turntrans-90.2-14.7176.1-67.9-177.9-174.6143.50114.4D968D968-K971 HydrophobicContact CB-CB 4.25Å; D968-K971 HydrophobicContact CB-CD 4.17Å; D968-K971 HydrophobicContact CB-CG 4.34Å; D968-K971 PolarHBondContact O-N 3.06Å; D968-K971 VanDerWaalsContact OD2-CD 3.29Å; D968-K971 WeakPolarHBondContact OD2-CD 3.38Å; D968-K971 WeakPolarHBondContact OD2-CE 3.27Å; D968-K971 IonicContact OD2-NZ 2.55Å; D968-K971 PolarHBondContact OD2-NZ 3.33Å
972G68.6Low75.6Confident1 Ų157.5 Ų57.51%0.0131%0.312CS..SBendtrans-71.3-28.218000000114.5I899 G974 T975I899-G972 WeakPolarHBondContact CD1-O 3.44Å; G972-G974 PolarHBondContact O-N 2.83Å; G972-T975 WeakPolarHBondContact O-CB 3.44Å; G972-T975 PolarHBondContact O-N 3.49Å; G972-T975 PolarHBondContact O-OG1 2.84Å
973V77.2Confident73.7Confident62 Ų6260.8 Ų60.838%0.37634%0.335SS..THydrogen-bonded Turntrans-63.1132.2-172.3-175.60000111.4T975V973-T975 VanDerWaalsContact C-N 3.27Å; V973-T975 PolarHBondContact O-N 3.39Å
974G79.4Confident71.7Confident34 Ų3459.8 Ų59.835%0.35133%0.334SS..THydrogen-bonded Turntrans81.1-4.8-173.500000114.9I899 G972 K976I899-G974 PolarHBondContact O-N 3.22Å; G972-G974 PolarHBondContact O-N 2.83Å; G974-K976 PolarHBondContact O-N 2.94Å
975T84.7Confident69.7Low1 Ų160.8 Ų60.81%0.00635%0.345CS..  trans-66.7132.6173.5-56.80000110.1I899 L964 G972 V973 L977 M995I899-T975 PolarHBondContact N-O 3.42Å; I899-T975 VanDerWaalsContact N-O 3.08Å; L964-T975 HydrophobicContact CD2-CG2 3.86Å; G972-T975 WeakPolarHBondContact O-CB 3.44Å; G972-T975 PolarHBondContact O-N 3.49Å; G972-T975 PolarHBondContact O-OG1 2.84Å; V973-T975 VanDerWaalsContact C-N 3.27Å; V973-T975 PolarHBondContact O-N 3.39Å; T975-L977 HydrophobicContact CG2-CD2 4.34Å; T975-M995 HydrophobicContact CG2-CG 4.2Å
976K88.8Confident67.9Low80 Ų8067.2 Ų67.235%0.34839%0.385SS..EExtended strand (participates in β ladder)trans-119.4105.2-175.6-162.6160.7-172.1156.40110.1V896 M897 E898 G974 V994V896-K976 HydrophobicContact CG1-CD 4.2Å; V896-K976 VanDerWaalsContact CG1-CE 3.46Å; V896-K976 HydrophobicContact CG1-CG 3.7Å; M897-K976 CarbonylContact O-C 3.53Å; M897-K976 WeakPolarHBondContact O-CA 3.29Å; E898-K976 HydrophobicContact CB-CG 4.36Å; E898-K976 HydrophobicContact CG-CD 4.4Å; E898-K976 HydrophobicContact CG-CG 4.42Å; E898-K976 WeakPolarHBondContact OE2-CD 3.48Å; E898-K976 WeakPolarHBondContact OE2-CE 3.35Å; E898-K976 IonicContact OE2-NZ 2.7Å; E898-K976 PolarHBondContact OE2-NZ 3.09Å; G974-K976 PolarHBondContact O-N 2.94Å; K976-V994 PolarHBondContact N-O 2.86Å; K976-V994 PolarHBondContact O-N 3.33Å
977L88.9Confident66.1Low3 Ų369 Ų692%0.01639%0.389CS..EExtended strand (participates in β ladder)trans-82.1129.7173.9-56.5-178000109V896 M897 Q957 E960 V961 T975 I991 A993V896-L977 CarbonylContact C-O 3.5Å; V896-L977 WeakPolarHBondContact CA-O 3.28Å; M897-L977 PolarHBondContact N-O 3.09Å; M897-L977 PolarHBondContact O-N 3.25Å; Q957-L977 HydrophobicContact CB-CD1 3.99Å; Q957-L977 HydrophobicContact CG-CB 4.23Å; Q957-L977 HydrophobicContact CG-CD1 4.35Å; Q957-L977 VanDerWaalsContact O-CD1 3.28Å; Q957-L977 WeakPolarHBondContact O-CD1 3.34Å; E960-L977 HydrophobicContact CB-CD1 3.63Å; E960-L977 HydrophobicContact CB-CD2 4.45Å; E960-L977 WeakPolarHBondContact OE2-CD2 3.45Å; V961-L977 HydrophobicContact CG2-CD1 3.79Å; T975-L977 HydrophobicContact CG2-CD2 4.34Å; L977-I991 HydrophobicContact CB-CG2 4.18Å; L977-I991 HydrophobicContact CD2-CG2 4.07Å; L977-A993 HydrophobicContact CD2-CB 3.69Å
978A85.9Confident64.7Low11 Ų1169.7 Ų69.79%0.09139%0.391CS..EExtended strand (participates in β ladder)trans-130.7128.8177.600000111K894 V896 T992K894-A978 VanDerWaalsContact CE-CB 3.49Å; V896-A978 HydrophobicContact CG2-CB 4.48Å; A978-T992 PolarHBondContact N-O 3.13Å; A978-T992 PolarHBondContact O-N 3.49Å
979T82.1Confident64.1Low1 Ų169.8 Ų69.81%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-117134.5169.9-57.40000108.7K894 V895 I953 Q957 P989K894-T979 WeakPolarHBondContact CA-O 3.35Å; V895-T979 PolarHBondContact N-O 2.72Å; V895-T979 PolarHBondContact O-N 3.35Å; I953-T979 HydrophobicContact CG2-CG2 3.8Å; Q957-T979 PolarHBondContact NE2-OG1 2.85Å; T979-P989 HydrophobicContact CG2-CB 3.7Å
980V71Confident63.9Low59 Ų5973.6 Ų73.636%0.35842%0.415SS..EExtended strand (participates in β ladder)trans-105.8125.7172175.80000107.6K892 K894K892-V980 HydrophobicContact CB-CG1 4.22Å; K892-V980 HydrophobicContact CD-CG1 4.08Å; K892-V980 HydrophobicContact CG-CG1 4.42Å; K894-V980 HydrophobicContact CG-CG2 4.32Å
981L63.8Low64.3Low46 Ų4668.9 Ų68.924%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-85.6114.8169.8-78.2158.3000109.7R893 I953R893-L981 HydrophobicContact CB-CB 4.08Å; R893-L981 HydrophobicContact CB-CD1 4.3Å; R893-L981 WeakPolarHBondContact O-CB 3.47Å; R893-L981 PolarHBondContact O-N 3.09Å; I953-L981 HydrophobicContact CD1-CD1 3.65Å; I953-L981 HydrophobicContact CD1-CD2 3.79Å; I953-L981 HydrophobicContact CD1-CG 3.78Å
982D56.7Low64.8Low102 Ų10265.8 Ų65.855%0.54539%0.389SS..  trans-94.4127.4156.2-83.7-52.5000108.4N984D982-N984 VanDerWaalsContact C-N 3.27Å; D982-N984 PolarHBondContact O-N 3.44Å
983P48Very low64.7Low96 Ų9668.1 Ų68.162%0.62341%0.408SS*.THydrogen-bonded Turntrans-73.3-15-170.729.2-35.9000114.5E885E885-P983 WeakPolarHBondContact OE1-CG 3.34Å
984N42.3Very low63.9Low109 Ų10969.3 Ų69.358%0.58342%0.416SS*.THydrogen-bonded Turntrans-12028.7-175.6-76.2-38.8000113.1E885 D982E885-N984 PolarHBondContact OE2-ND2 2.89Å; D982-N984 VanDerWaalsContact C-N 3.27Å; D982-N984 PolarHBondContact O-N 3.44Å
985S41.8Very low62.4Low67 Ų6773 Ų7347%0.46943%0.425SS..  trans-108.4131.8169.8-173.10000111.7E987S985-E987 VanDerWaalsContact C-N 3.32Å; S985-E987 PolarHBondContact OG-N 2.87Å
986T44.6Very low60.3Low151 Ų15176.2 Ų76.293%0.92645%0.446SS*.  trans-87.4-1.6172.9-21.80000112.7
987E40.6Very low57.7Low153 Ų15381.9 Ų81.972%0.71547%0.47SS*.SBendtrans-78150.1179-66.2-166.2141.400112.3S985S985-E987 VanDerWaalsContact C-N 3.32Å; S985-E987 PolarHBondContact OG-N 2.87Å
988P45.3Very low55Low108 Ų10888.2 Ų88.270%0.70150%0.504SS*.  trans-61.2143.1176.225.9-34.7000111.6T990P988-T990 PolarHBondContact O-N 3.3Å
989P54.3Low52.3Low69 Ų6994 Ų9445%0.44854%0.544SS..  trans-63.6110.4-173.123.8-33.6000112.1T979 I991T979-P989 HydrophobicContact CG2-CB 3.7Å; P989-I991 PolarHBondContact O-N 2.91Å; P989-I991 VanDerWaalsContact O-N 3.17Å
990T56.3Low49.6Very low104 Ų10498.9 Ų98.964%0.63858%0.578SS**  trans-65.8115.2178.3-66.50000110.6P988P988-T990 PolarHBondContact O-N 3.3Å
991I68.1Low47.7Very low45 Ų45101.2 Ų101.223%0.23160%0.604CS.*EExtended strand (participates in β ladder)trans-82.2123.6171.4-60176.9000108A956 Q957 E960 L977 P989A956-I991 HydrophobicContact CB-CD1 3.9Å; Q957-I991 HydrophobicContact CG-CD1 4.09Å; Q957-I991 HydrophobicContact CG-CG1 4.38Å; E960-I991 HydrophobicContact CG-CD1 4Å; E960-I991 HydrophobicContact CG-CG2 4.43Å; L977-I991 HydrophobicContact CB-CG2 4.18Å; L977-I991 HydrophobicContact CD2-CG2 4.07Å; P989-I991 PolarHBondContact O-N 2.91Å; P989-I991 VanDerWaalsContact O-N 3.17Å
992T72.4Confident46Very low79 Ų79103.4 Ų103.449%0.48563%0.629SS.*EExtended strand (participates in β ladder)trans-102.9106.5172.8-47.30000109A978A978-T992 PolarHBondContact N-O 3.13Å; A978-T992 PolarHBondContact O-N 3.49Å
993A66.3Low44.5Very low51 Ų51105.5 Ų105.542%0.42165%0.645SS.*EExtended strand (participates in β ladder)trans-82.7126.9172.300000110.8L977L977-A993 HydrophobicContact CD2-CB 3.69Å
994V59.8Low43.6Very low87 Ų87105.1 Ų105.153%0.52765%0.65SS.*EExtended strand (participates in β ladder)trans-116.6111.5170.7-1760000108.6K976K976-V994 PolarHBondContact N-O 2.86Å; K976-V994 PolarHBondContact O-N 3.33Å
995M49.6Very low43Very low111 Ų111105.3 Ų105.355%0.54766%0.66SS.*  trans-85.5152.4173.8-70179.4173.200111.5L964 T975L964-M995 HydrophobicContact CD1-CE 3.87Å; T975-M995 HydrophobicContact CG2-CG 4.2Å
996P40.3Very low42.3Very low69 Ų69109.2 Ų109.245%0.44868%0.676SS.*  trans-57.1142164.1-2133.5000111D998P996-D998 PolarHBondContact O-N 2.89Å
997K34.3Very low41.8Very low198 Ų198108 Ų10886%0.86167%0.668SS**  trans-94.790.5-180-171.2172.8-177.8173.70110.8S999K997-S999 PolarHBondContact O-N 3.48Å
998D31.8Very low41.4Very low136 Ų136110 Ų11073%0.72768%0.675SS**  trans-55.7130.4178.5-75.8-35.8000112.5P996 S1000P996-D998 PolarHBondContact O-N 2.89Å; D998-S1000 VanDerWaalsContact C-N 3.28Å; D998-S1000 PolarHBondContact O-N 2.83Å; D998-S1000 VanDerWaalsContact O-N 3.15Å
999S28.6Very low40.8Very low133 Ų133110.8 Ų110.893%0.9368%0.68SS**  trans-90.657.4-178.4-67.30000111.8K997K997-S999 PolarHBondContact O-N 3.48Å
1000S26.6Very low39.6Very low103 Ų103114.4 Ų114.472%0.7269%0.689SS**  trans-132.496.9174.660.80000111.2D998D998-S1000 VanDerWaalsContact C-N 3.28Å; D998-S1000 PolarHBondContact O-N 2.83Å; D998-S1000 VanDerWaalsContact O-N 3.15Å
1001A29.9Very low38.4Very low108 Ų108116.2 Ų116.289%0.89369%0.693SS**  trans-106.7125.2173.700000110
1002A27.7Very low36.4Very low93 Ų93119.6 Ų119.677%0.76971%0.708SS**  trans-98.9149.7-171.300000114
1003T26.8Very low34.5Very low145 Ų145122 Ų12289%0.8972%0.716SS**  trans16.3105.4142.8-480000118.8
1004A29.2Very low32.7Very low88 Ų88126.4 Ų126.473%0.72773%0.728SS**  trans-155.2119.115300000114.3
1005S29.3Very low31.3Very low113 Ų113129.6 Ų129.679%0.7974%0.735SS**  trans48.2106.4142.263.80000123.2
1006N27.3Very low30.4Very low150 Ų150130.1 Ų130.180%0.80275%0.745SS**  109.2156.2113.5-146.89.2000121.5
1007T33.4Very low30.8Very low125 Ų125132.4 Ų132.477%0.76776%0.759SS**  trans72.990.1166.537.20000120.9
1008K31.5Very low31.2Very low194 Ų194128.7 Ų128.784%0.84376%0.756SS**  trans-29.7156.5146.8-101.8179.1176.9172.10117
1009P33Very low31.2Very low126 Ų126128 Ų12882%0.81876%0.757SS**  -121.7-126.472.127.1-8.8000118.1
1010K29.6Very low31.6Very low145 Ų145132.2 Ų132.263%0.6375%0.752SS**  trans-157.1178.2-139.9-165.1-142.2165.4-1510111.7E1012K1010-E1012 VanDerWaalsContact CE-CD 3.48Å; K1010-E1012 VanDerWaalsContact CE-OE1 3.27Å; K1010-E1012 WeakPolarHBondContact CE-OE1 3.44Å; K1010-E1012 WeakPolarHBondContact CE-OE2 3.3Å; K1010-E1012 IonicContact NZ-OE1 2.95Å; K1010-E1012 PolarHBondContact NZ-OE1 3.35Å; K1010-E1012 IonicContact NZ-OE2 2.63Å; K1010-E1012 PolarHBondContact NZ-OE2 2.88Å
1011I30.2Very low31.8Very low141 Ų141133 Ų13372%0.72375%0.748SS**  trans92.6123162-51.8-173000114.9
1012E28Very low32Very low117 Ų117131.6 Ų131.655%0.54774%0.736SS.*  cis-169172.3-27.2-125161.3156.300113.1K1010K1010-E1012 VanDerWaalsContact CE-CD 3.48Å; K1010-E1012 VanDerWaalsContact CE-OE1 3.27Å; K1010-E1012 WeakPolarHBondContact CE-OE1 3.44Å; K1010-E1012 WeakPolarHBondContact CE-OE2 3.3Å; K1010-E1012 IonicContact NZ-OE1 2.95Å; K1010-E1012 PolarHBondContact NZ-OE1 3.35Å; K1010-E1012 IonicContact NZ-OE2 2.63Å; K1010-E1012 PolarHBondContact NZ-OE2 2.88Å
1013I30.9Very low32.2Very low128 Ų128132 Ų13266%0.65673%0.733SS**  trans72.5101.7146-72.9163.5000120.9
1014E28.9Very low32.3Very low144 Ų144133 Ų13367%0.67373%0.728SS**  66.8152.4122.5-62.5-163.612500124
1015K30.5Very low32.3Very low155 Ų155134.5 Ų134.567%0.67472%0.72SS**  cis179.3152.6-19.1-177.8166.4167.6-168.10112.7
1016T30.6Very low32.8Very low122 Ų122133.3 Ų133.375%0.74871%0.709SS**  trans65.5138156.540.10000124.5
1017P49.2Very low33Very low116 Ų116133 Ų13375%0.75371%0.708SS**  trans-110.1-169.7161.443.6-34.1000112.8
1018P41.8Very low32.6Very low121 Ų121134.1 Ų134.179%0.78671%0.709SS**  trans-144.812414135.5-18.3000118.1
1019T33.1Very low32.4Very low122 Ų122129.5 Ų129.575%0.74870%0.697SS**  17137.1125-26.50000122.8
1020R35.3Very low32.1Very low221 Ų221132 Ų13283%0.83470%0.698SS**  174131.2113.6-94.6-170.6129.9128.25.8119.5
1021D31.5Very low31.9Very low119 Ų119130.5 Ų130.564%0.63670%0.701SS**  trans59.5111.8131.3-56.3-15.3000126.3
1022A33.8Very low31.9Very low78 Ų78129.1 Ų129.165%0.64570%0.699SS**  100.9112.4108.900000125.5
1023S31.7Very low31.8Very low101 Ų101130.4 Ų130.471%0.70671%0.71SS**  99.9127.3120.4-66.40000126
1024Q29.9Very low31.7Very low168 Ų168129.3 Ų129.379%0.78571%0.708SS**  trans94.1151.5134.3-95.1175.9-27.900126
1025E28Very low31.9Very low118 Ų118132.8 Ų132.855%0.55172%0.715SS**  trans-142-174.1-171.1-137.8-159.9-163.900106.7I1158E1025-I1158 HydrophobicContact CB-CD1 4.18Å; E1025-I1158 HydrophobicContact CB-CG1 4.16Å; E1025-I1158 HydrophobicContact CG-CD1 4.16Å; E1025-I1158 HydrophobicContact CG-CG1 4.06Å
1026P40Very low32Very low88 Ų88133.4 Ų133.457%0.57172%0.718SS**  cis-130.3-156.5-28.628.6-4000112.7
1027N31.1Very low32Very low143 Ų143132.9 Ų132.977%0.76572%0.715SS**  trans85.3108.7151.3-70.6-32000124.2
1028N26.9Very low31.3Very low149 Ų149131 Ų13180%0.79770%0.704SS**  72.9154.7114.3-153.511000123.3
1029V26.9Very low30.7Very low97 Ų97131.9 Ų131.959%0.58870%0.698SS**  trans8796.8158.9-167.50000121.8
1030Q25.8Very low30.6Very low178 Ų178133.6 Ų133.683%0.83270%0.697SS**  trans58.4167.6132.7-57.4178.35.100124.5
1031V26.2Very low30.5Very low115 Ų115127.4 Ų127.470%0.69769%0.688SS**  trans104.281.9151.4-166.10000121.1
1032T28.9Very low30.4Very low111 Ų111128.9 Ų128.968%0.68170%0.696SS**  trans54.8131.8131.672.90000126.1
1033N26.5Very low30.2Very low145 Ų145129.2 Ų129.278%0.77570%0.699SS**  79.4133.5124.4-76.6-12.7000125.5
1034V29.3Very low30.2Very low104 Ų104132.8 Ų132.863%0.6370%0.704SS**  106.6116.5122.4143.50000123.4
1035R32.6Very low30.1Very low217 Ų217129.6 Ų129.682%0.81970%0.7SS**  trans73.6159.1147.3-74.2178.4-169141-1.4119.7
1036K32.8Very low30.2Very low169 Ų169129.2 Ų129.274%0.73571%0.706SS**  cis-162.9150.52.2-132.6-158.9170.6-161.60114.1
1037V30.8Very low29.6Very low111 Ų111133.3 Ų133.367%0.67372%0.717SS**  trans61.4146133150.80000120.6
1038S33.5Very low29.6Very low75 Ų75132.4 Ų132.452%0.52472%0.722SS.*  cis-172.3156.2-7.4-106.20000115.4
1039Q29.9Very low29.7Very low141 Ų141132.5 Ų132.566%0.65972%0.721SS**  trans63132.7132.9-68.6164.7-92.200126.5
1040E31Very low30Very low157 Ų157133.5 Ų133.573%0.73473%0.73SS**  71.3149.7129.9-69.5156.5-163.700122.3
1041S32.9Very low30.2Very low91 Ų91136 Ų13664%0.63673%0.731SS**  cis-171.3164.7-19.859.30000114
1042N29.4Very low30.9Very low151 Ų151136.6 Ų136.681%0.80774%0.737SS**  trans72.4131.4146.7-70.6-20.8000124.7
1043A30.6Very low30.9Very low85 Ų85135.1 Ų135.170%0.70275%0.745SS**  trans68149.6131.200000120.9
1044E30.5Very low31Very low176 Ų176131.2 Ų131.282%0.82274%0.739SS**  cis-162147-8.4-125.2-175.396.600113.8
1045S28.4Very low31Very low100 Ų100134.7 Ų134.770%0.69975%0.752SS**  trans68.8173.6136.3-150.70000123.3
1046V29.5Very low31Very low111 Ų111131.3 Ų131.367%0.67375%0.748SS**  trans7884.4166.1-161.10000120.4
1047Q27.5Very low30.7Very low173 Ų173129.6 Ų129.681%0.80875%0.752SS**  41.2126.8120.2-56.9166.8-1.900121.2
1048S31.9Very low30.9Very low124 Ų124132.7 Ų132.787%0.86776%0.761SS**  176.2160.897.546.90000114.6
1049I28.8Very low30.9Very low152 Ų152133.9 Ų133.978%0.77977%0.77SS**  trans-123.9129.9-176.9-70.3165.6000106.7
1050P32.8Very low31.3Very low118 Ų118132 Ų13277%0.76677%0.769SS**  -144.5154.393.235.4-16.9000114.5
1051R30.9Very low31.2Very low231 Ų231130.1 Ų130.187%0.87277%0.769SS**  70.8148.250.6-89-150.3169.8-157.7-1.4114.8
1052P40.1Very low31Very low126 Ų126131.2 Ų131.282%0.81877%0.768SS**  -129.6-175.4-128.644.4-31000115.6
1053G29.2Very low31Very low81 Ų81131.4 Ų131.484%0.83576%0.763SS**  trans121.7147.7173.200000111.5
1054G29.4Very low31Very low63 Ų63133.1 Ų133.165%0.64977%0.765SS**  cis163.2-175.4-1.500000110
1055I28.1Very low31.3Very low177 Ų177131.3 Ų131.391%0.90876%0.761SS**  trans60.5155.5173.510.7-176.3000113.7
1056I32.2Very low31.5Very low146 Ų146131.3 Ų131.375%0.74976%0.761SS**  cis-130.4148.312.1-61.5175.3000110.6M1058I1056-M1058 HydrophobicContact CG2-CG 4.49Å
1057V26.7Very low31.8Very low133 Ų133130.2 Ų130.281%0.80676%0.764SS**  trans-81.6125171.1173.30000111
1058M35.1Very low32.5Very low175 Ų175127.9 Ų127.986%0.86276%0.764SS**  trans-143.2101.7160.7-69.4-162.478.300112.3I1056I1056-M1058 HydrophobicContact CG2-CG 4.49Å
1059S33.4Very low33.2Very low101 Ų101127.5 Ų127.571%0.70676%0.758SS**  trans-92.8-175.3143.9-41.50000107.6
1060P38.9Very low33.9Very low101 Ų101126.7 Ų126.766%0.65676%0.763SS**  cis-135.4-172.4-735.5-14.9000113.7
1061T28.6Very low34Very low118 Ų118128.1 Ų128.172%0.72477%0.77SS**  trans63.9168.3151.3480000118
1062N28.1Very low34.3Very low114 Ų114120.8 Ų120.861%0.6177%0.767SS**  cis-157.2158.33.6-130-28.4000110.7
1063Q29.6Very low34.1Very low154 Ų154119.4 Ų119.472%0.7277%0.766SS**  trans62.7165.6148-71.116232.300116.9
1064T32.3Very low34.3Very low121 Ų121120.7 Ų120.774%0.74277%0.768SS**  cis-160.6165.3-1.13.40000106.7
1065D34.7Very low34.8Very low138 Ų138122.3 Ų122.374%0.73878%0.776SS**  cis-159.2176.6-3.5-165.620.8000110.8
1066S34.6Very low35.1Very low100 Ų100123.5 Ų123.570%0.69977%0.774SS**  trans80129.4142.773.10000121.5
1067A34.2Very low35.4Very low89 Ų89122.1 Ų122.174%0.73678%0.775SS**  trans-102.7172.4158.100000109.7
1068P42.6Very low35.8Very low123 Ų123121 Ų12180%0.79977%0.773SS**  -155.2170.193.139.5-21000116.9
1069P46.2Very low35.7Very low116 Ų116122.7 Ų122.775%0.75377%0.769SS**  trans-97.5168.3169.739-35000113.8
1070P44.1Very low35.6Very low136 Ų136125.9 Ų125.988%0.88377%0.771SS**  trans-141.7-176.8139.538-22.7000115.6
1071T35.9Very low35.2Very low147 Ų147129.2 Ų129.290%0.90278%0.778SS**  trans-110.7157.9-159.353.50000117
1072G36.3Very low35.2Very low78 Ų78129.9 Ų129.980%0.80478%0.782SS**  trans111.9163.3151.300000116.8
1073A36.1Very low35.4Very low97 Ų97131 Ų13180%0.80279%0.793SS**  cis-167.8152.5-14.800000111.6
1074A34.2Very low35.4Very low107 Ų107133 Ų13388%0.88480%0.799SS**  trans62.6158.2167.300000117.5
1075A38.8Very low35.3Very low98 Ų98132 Ų13281%0.8180%0.797SS**  cis-143.3173.417.600000115.3
1076K34.1Very low35.2Very low201 Ų201129.1 Ų129.187%0.87479%0.792SS**  trans-100.4172.8174.3-77.4177.6179.6176.80109.1
1077P39.1Very low35.3Very low117 Ų117131.5 Ų131.576%0.7680%0.797SS**  cis-150.6165.129.143.9-22.9000121
1078S35.5Very low35.5Very low109 Ų109132.4 Ų132.476%0.76280%0.796SS**  trans16.7137.5132.9-162.10000121.3
1079R33.1Very low34.8Very low211 Ų211134.4 Ų134.480%0.79680%0.798SS**  161.2116.797.6-165.7175.6-170.3157.24.3116.2
1080F29.9Very low34Very low169 Ų169132.8 Ų132.874%0.74179%0.794SS**  trans69.2155.6150.1-86.6-119.2000123.7
1081Q32.1Very low33.3Very low171 Ų171132.4 Ų132.480%0.79979%0.789SS**  trans67.6132164.3-67.6160.524.800116.9
1082V27.4Very low33.4Very low132 Ų132130.5 Ų130.580%0.878%0.779SS**  cis89.48522.8-173.10000115.6
1083T32Very low33Very low137 Ų137133.9 Ų133.984%0.8478%0.778SS**  trans170.4133151.333.20000105.9
1084K30.1Very low32.6Very low195 Ų195134.2 Ų134.285%0.84877%0.774SS**  cis80.794.517.3-142.4-174.9-171-175.30116.4
1085S30.9Very low32.3Very low100 Ų100134.5 Ų134.570%0.69977%0.77SS**  141.8142.4128.3-65.60000117.2
1086A31.9Very low31.8Very low78 Ų78134.6 Ų134.665%0.64576%0.764SS**  trans70.2108.1149.200000122.4
1087D37.4Very low31.5Very low151 Ų151132.2 Ų132.281%0.80776%0.759SS**  37.1140.499.5-56.4-45.3000119
1088P36.9Very low30.9Very low108 Ų108131.6 Ų131.670%0.70176%0.758SS**  -157.9166.660.243.9-23.3000120.8
1089I28.1Very low30.5Very low165 Ų165132.7 Ų132.785%0.84676%0.76SS**  trans63.5135.4138.7-70.3166.5000122.1
1090A29.5Very low30.3Very low81 Ų81126.4 Ų126.467%0.66975%0.754SS**  trans79.1118.6154.700000122.7
1091T30.9Very low30.3Very low128 Ų128124.6 Ų124.679%0.78576%0.756SS**  trans-6.8153.6133.256.70000118.7
1092P36.4Very low30.1Very low107 Ų107122 Ų12270%0.69575%0.752SS**  cis-155.4-173.240.745.3-24.1000119
1093I28.2Very low30.4Very low150 Ų150122.9 Ų122.977%0.76975%0.751SS**  trans59.6114.8145.5-70.6156000121.8
1094S27.5Very low30.7Very low103 Ų103120.9 Ų120.972%0.7274%0.74SS**  trans19.1160.9133.6-44.10000125
1095S29.3Very low30.7Very low114 Ų114118.7 Ų118.780%0.79774%0.736SS**  trans77.6151.1158.474.20000118
1096S28Very low30.8Very low99 Ų99120.3 Ų120.369%0.69274%0.741SS**  cis-167.9152.5-12.540.10000113.9
1097I27.9Very low31Very low151 Ų151121.3 Ų121.377%0.77475%0.75SS**  trans22120.9134.6-55.9172000119.5
1098S27Very low30.8Very low104 Ų104118.4 Ų118.473%0.72775%0.747SS**  trans54.4160.2148.2-51.10000119.5
1099T26.9Very low30.8Very low133 Ų133120.4 Ų120.482%0.81676%0.757SS**  cis-170.815538.9-38.90000111.9
1100A28.3Very low31.2Very low79 Ų79118 Ų11865%0.65375%0.753SS**  trans46.4116.7151.500000124.2
1101T28.7Very low31.6Very low130 Ų130120.7 Ų120.780%0.79876%0.76SS**  59.1137.2114.6-37.50000122.1
1102V29.7Very low31.5Very low116 Ų116121.3 Ų121.370%0.70376%0.759SS**  154.5107.5127.5163.20000113.9
1103I32.5Very low31.5Very low152 Ų152123.4 Ų123.478%0.77976%0.763SS**  trans68.7144.7138.9-78.1177.4000120.7
1104P38.4Very low31.7Very low95 Ų95121.8 Ų121.862%0.61776%0.76SS**  cis-153.4-165.7-22.146.3-26.3000117.7
1105I31.4Very low32.1Very low149 Ų149121.7 Ų121.776%0.76476%0.759SS**  trans87.7105.3144.5-79.7167.7000121.7
1106V32Very low32.2Very low133 Ų133124.9 Ų124.981%0.80676%0.762SS**  58.3113129.9-173.30000122.1
1107A36.2Very low32.7Very low100 Ų100124.9 Ų124.983%0.82676%0.759SS**  -151.5159.2115.400000109
1108A33.4Very low33Very low90 Ų90124.7 Ų124.774%0.74477%0.765SS**  trans-148.8160.1-166.600000115.2
1109T37.4Very low33Very low149 Ų149126.9 Ų126.991%0.91477%0.767SS**  trans-169.9131.8142.57.70000112.1
1110P36.1Very low33.2Very low116 Ų116126.9 Ų126.975%0.75377%0.767SS**  trans-128.9150.9175.540.2-28000115.8
1111T37.4Very low33.2Very low136 Ų136131 Ų13183%0.83477%0.772SS**  trans-164.6124.315831.10000106.6
1112N29Very low33.6Very low142 Ų142129.7 Ų129.776%0.75977%0.766SS**  cis74.7115.432.3-166.321.2000115.1
1113I35.9Very low33.5Very low150 Ų150130.9 Ų130.977%0.76977%0.767SS**  trans178.7112.8138.5-91.6153.8000109.6
1114T32.7Very low33.3Very low117 Ų117129.7 Ų129.772%0.71877%0.767SS**  45.2136.4124.7-40.50000119.8
1115S36Very low32.8Very low100 Ų100128.8 Ų128.870%0.69977%0.767SS**  cis-158.3137.31725.10000115.4
1116E32.3Very low32.6Very low182 Ų182130.1 Ų130.185%0.8577%0.77SS**  51.3151.4127.3-68.8-68.89500124.8
1117P38.6Very low32.5Very low98 Ų98129.6 Ų129.664%0.63677%0.767SS**  trans-111.6172.6-172.243.4-34.5000115.1
1118V33.6Very low32.2Very low148 Ų148131.8 Ų131.890%0.89776%0.763SS**  trans-134.5138.4162.7-177.40000112
1119I26.4Very low32.1Very low149 Ų149131.8 Ų131.876%0.76475%0.754SS**  trans-91.4162.2-174.1-53.3154.9000110.1
1120V31.3Very low31.8Very low134 Ų134132.3 Ų132.381%0.81275%0.746SS**  trans147.1154.4138.1169.70000112.8
1121Q28.2Very low31.6Very low166 Ų166134.2 Ų134.278%0.77675%0.749SS**  trans-107.3-152.1-167.3-47.4164.4-1.200110.2
1122P36.7Very low31.3Very low101 Ų101131.5 Ų131.566%0.65674%0.741SS**  -120.7-151-70.725.9-3.3000111.5
1123I28.6Very low31.5Very low142 Ų142131.2 Ų131.273%0.72874%0.744SS**  trans97.790.2153.6-54.3168.4000118.6
1124T27.8Very low31.6Very low127 Ų127130.3 Ų130.378%0.77975%0.748SS**  59.4118.5110-47.50000123.3
1125A27.8Very low31.5Very low75 Ų75129.8 Ų129.862%0.6275%0.749SS**  trans96.9139.7132.900000124.8
1126Q28.2Very low31.5Very low178 Ų178130 Ų13083%0.83275%0.748SS**  trans77.5128144-79.3167.28.200119.2
1127V28.3Very low31.6Very low121 Ų121127.9 Ų127.973%0.73375%0.747SS**  cis70.2128.510.3-1640000113.3
1128I30.9Very low31.3Very low146 Ų146126.9 Ų126.975%0.74974%0.743SS**  cis-127-153.134.6-9172.7000110.8
1129T30.9Very low31.4Very low91 Ų91128.3 Ų128.356%0.55874%0.739SS**  cis-156.8-170.512.2-17.30000110.8
1130H31.9Very low31.6Very low159 Ų159125.9 Ų125.974%0.73674%0.736SS**  trans82.3139.7161.4-40-70.2000116.1
1131L30.7Very low31.7Very low156 Ų156127 Ų12782%0.81774%0.736SS**  cis-161.4166.9-20.8-135.767.5000106
1132A32.2Very low31.9Very low80 Ų80124.2 Ų124.266%0.66174%0.735SS**  cis-152.5170.84.300000110.8
1133T32Very low31.9Very low136 Ų136124.3 Ų124.383%0.83474%0.738SS**  trans-144.5172.3167.252.10000110.2
1134P37.9Very low32Very low130 Ų130124.2 Ų124.284%0.84474%0.739SS**  -145.2171.8122.237.7-22.9000115.8
1135S31.5Very low32.4Very low107 Ų107122.7 Ų122.775%0.74873%0.734SS**  trans-131.5166.1169.2178.70000108.1
1136P36.5Very low32.6Very low105 Ų105124.1 Ų124.168%0.68274%0.739SS**  -161.4153.3111.639.9-20.3000119.5
1137V32.8Very low32.9Very low136 Ų136121 Ų12182%0.82473%0.734SS**  trans56.8162.4144.8-54.80000121.3
1138S33.8Very low32.9Very low78 Ų78120.7 Ų120.755%0.54574%0.737SS.*  cis-158.915010.9-1280000114.5
1139H34.3Very low32.8Very low177 Ų177118 Ų11882%0.81974%0.737SS**  trans51.4149.6148.4-54.8-33.6000122.4
1140S31.5Very low32.8Very low99 Ų99119.6 Ų119.669%0.69275%0.747SS**  cis-169.9153.1-342.30000113.8
1141L32.5Very low32.6Very low156 Ų156117.7 Ų117.782%0.81775%0.747SS**  trans66.9121166.1-60168000116.8
1142S33.2Very low32.6Very low109 Ų109118.5 Ų118.576%0.76275%0.746SS**  cis82.6133.240.9-61.10000113.9
1143S36.2Very low32.4Very low103 Ų103119.7 Ų119.772%0.7275%0.75SS**  cis-153.6-165.6-10.857.80000107.8
1144N31.1Very low32.2Very low139 Ų139120.2 Ų120.274%0.74375%0.747SS**  cis-159.4-167.616.5-135.44.4000106.7
1145S35.8Very low31.7Very low96 Ų96121.6 Ų121.667%0.67174%0.744SS**  cis-172.4150.7-3.432.10000106.5
1146S33.2Very low31.5Very low105 Ų105121.2 Ų121.273%0.73474%0.742SS**  cis-159.9161-8-85.80000110.1
1147P33.5Very low31.1Very low112 Ų112119.1 Ų119.173%0.72773%0.729SS**  trans-124.2-179.3-17444.4-32.4000115.4
1148S28.8Very low30.9Very low114 Ų114118.8 Ų118.880%0.79772%0.722SS**  trans66.6138.2141.7-66.40000124.5
1149A29.1Very low30.5Very low90 Ų90121.8 Ų121.874%0.74473%0.727SS**  trans71.8110.9131.800000123.6
1150T30.7Very low30.3Very low124 Ų124118.5 Ų118.576%0.76172%0.724SS**  trans1.1128.5130.8-30.50000120.2
1151T27.3Very low30.2Very low120 Ų120119.8 Ų119.874%0.73673%0.728SS**  173.9152.8111.232.70000115.7
1152H31.2Very low30Very low172 Ų172119.3 Ų119.380%0.79673%0.731SS**  trans-5.4142.8168.9-44.4-71.4000120.8
1153S28.8Very low29.8Very low106 Ų106119 Ų11974%0.74173%0.73SS**  178.6153.770.458.30000117.4
1154N26.5Very low29.7Very low146 Ų146121.1 Ų121.178%0.78174%0.738SS**  trans64.8127.7143.9-79-2.5000127.1
1155M28.2Very low30Very low159 Ų159119.9 Ų119.978%0.78374%0.737SS**  trans75.1114.9140.9-67.1-171.875.600123.8
1156S27.6Very low29.9Very low100 Ų100119.2 Ų119.270%0.69975%0.745SS**  59149.1128-55.40000122.1
1157S27Very low29.9Very low60 Ų60126.6 Ų126.642%0.4276%0.757SS.*  cis-177.4119.1-16.9164.30000110.2
1158I28.3Very low29.8Very low129 Ų129130.3 Ų130.366%0.66276%0.757SS**  trans-137.3135.7161.6-62-175.2000110.3E1025E1025-I1158 HydrophobicContact CB-CD1 4.18Å; E1025-I1158 HydrophobicContact CB-CG1 4.16Å; E1025-I1158 HydrophobicContact CG-CD1 4.16Å; E1025-I1158 HydrophobicContact CG-CG1 4.06Å
1159Q26.3Very low29.8Very low142 Ų142135 Ų13566%0.66476%0.763SS**  trans-110.9141.6179.5-59.7171.1-12.700111.5
1160S29.5Very low29.9Very low108 Ų108134.6 Ų134.676%0.75575%0.751SS**  trans169.9106145.6-78.50000108.4
1161T28.9Very low29.7Very low125 Ų125134.5 Ų134.577%0.76775%0.751SS**  45122.886.368.30000113.4
1162T28.2Very low29.7Very low146 Ų146136.2 Ų136.290%0.89675%0.75SS**  -145.5168.670.935.70000115.1
1163S29.8Very low29.9Very low104 Ų104134.1 Ų134.173%0.72775%0.752SS**  trans-109.7154.4-171.854.50000114
1164V34.1Very low29.8Very low146 Ų146135.2 Ų135.289%0.88575%0.754SS**  trans-132.7120.8148.2-177.50000108
1165P37.1Very low29.8Very low113 Ų113133 Ų13373%0.73475%0.75SS**  trans-95.5164-174.836.9-34.9000113.4
1166G34.4Very low29.6Very low82 Ų82134.2 Ų134.285%0.84575%0.754SS**  trans-79.3-172.6179.700000115.3
1167R33.9Very low29.5Very low261 Ų261133.9 Ų133.999%0.98576%0.757SS**  trans-123.9157.6169.4-129179.7-172.8-163.91111.6
1168R29.6Very low29.5Very low189 Ų189139.5 Ų139.571%0.71378%0.777SS**  trans-134142.1-156.7168.8-166.4-173.8167.27.1109.3T1170R1168-T1170 HydrophobicContact CG-CG2 4.18Å; R1168-T1170 PolarHBondContact NE-OG1 3.28Å; R1168-T1170 VanDerWaalsContact NE-OG1 3.15Å
1169F30Very low29.5Very low213 Ų213139.3 Ų139.393%0.93479%0.787SS**  trans-137125139.5-100.8-74.3000110.7
1170T30.6Very low29.6Very low81 Ų81135.7 Ų135.750%0.49779%0.787SS.*  trans-112.6-178.1170.146.10000107.6R1168R1168-T1170 HydrophobicContact CG-CG2 4.18Å; R1168-T1170 PolarHBondContact NE-OG1 3.28Å; R1168-T1170 VanDerWaalsContact NE-OG1 3.15Å
1171V26Very low29.6Very low123 Ų123138.4 Ų138.475%0.74579%0.792SS**  trans102.5132.2-174.8172.40000111.1
1172Q27.5Very low29.6Very low156 Ų156137.4 Ų137.473%0.72979%0.79SS**  cis-159.8162.1-12.1-114.5170.10.500109.4
1173P35.4Very low29.8Very low128 Ų128135.4 Ų135.483%0.83178%0.782SS**  trans-112.2108.1165.734.7-22.1000112.3
1174V26.5Very low29.8Very low128 Ų128135.3 Ų135.378%0.77678%0.781SS**  trans-143.5152.9177.1-177.40000110.9
1175S26.2Very low29.7Very low101 Ų101135.9 Ų135.971%0.70678%0.777SS**  trans-100.5-177.5-169.8-46.70000114.5
1176Q25.1Very low29.2Very low184 Ų184134.6 Ų134.686%0.8677%0.771SS**  trans75.6126.7168.9-67.9167.1-24.100114.1
1177A25.3Very low29Very low92 Ų92137.4 Ų137.476%0.7677%0.772SS**  67.5139.774.900000111.9
1178E27.8Very low28.8Very low179 Ų179130.8 Ų130.884%0.83676%0.763SS**  cis-140.817621.5-59171.183.200112.7
1179S28Very low29Very low125 Ų125129.3 Ų129.387%0.87476%0.764SS**  trans63148.9164.672.90000117.8
1180G27.3Very low29.2Very low66 Ų66124.7 Ų124.768%0.6876%0.755SS**  cis124.591.3-4.500000113.8
1181I29.7Very low29.4Very low165 Ų165127.7 Ų127.785%0.84676%0.763SS**  trans-158.8126.2137.732.7174.3000111.1
1182S29.4Very low29.9Very low104 Ų104127.3 Ų127.373%0.72776%0.764SS**  trans20147.8131.4-38.10000120.2
1183S31.2Very low30.2Very low103 Ų103125.4 Ų125.472%0.7276%0.763SS**  cis-150.6144.925-450000110.2
1184S30Very low30.3Very low102 Ų102125 Ų12571%0.71376%0.76SS**  55129.978.2-350000112.4
1185I31.8Very low30.5Very low158 Ų158123.2 Ų123.281%0.8176%0.759SS**  cis-152.2147.443.8-73.2166.5000108.1
1186S27.1Very low30.8Very low87 Ų87125.7 Ų125.761%0.60876%0.762SS**  cis100.1100.213.6-56.60000117.8
1187T29.9Very low31.1Very low140 Ų140123.4 Ų123.486%0.85976%0.761SS**  trans66.8166.1151.254.70000118.6
1188P30.2Very low31.4Very low123 Ų123123.2 Ų123.280%0.79975%0.754SS**  cis-131.7-178.57.642.7-25.3000118.2
1189H33.5Very low31.6Very low158 Ų158120.8 Ų120.873%0.73176%0.756SS**  trans-51.6167.9163.3-120.8-130.8000113.6
1190P34.4Very low32.3Very low115 Ų115120.3 Ų120.375%0.74775%0.75SS**  cis-145.2-179.138.142-20.8000119.9
1191E35Very low33.4Very low144 Ų144122.8 Ų122.867%0.67375%0.754SS**  trans-47.2167.5164.7-94-173.297.900116.8
1192P35.8Very low34.1Very low116 Ų116120.7 Ų120.775%0.75375%0.751SS**  cis-139.6-174.231.941.6-21.6000119.1
1193T35.3Very low34.4Very low116 Ų116122.3 Ų122.371%0.71276%0.756SS**  trans-64.6170.5173.930.30000114.4
1194P36.2Very low35.3Very low119 Ų119123.2 Ų123.277%0.77376%0.759SS**  cis-144.8176.132.143-22.1000120.8
1195A31.1Very low35.5Very low90 Ų90124 Ų12474%0.74477%0.765SS**  trans-7.2161.6159.700000121.4
1196I32.1Very low36.2Very low153 Ų153123.3 Ų123.379%0.78577%0.768SS**  -158.5130.253.8-76177.6000114
1197T31.4Very low36.6Very low136 Ų136124.5 Ų124.583%0.83477%0.774SS**  trans57155.6142.5-50.80000123.8
1198S33.1Very low36.9Very low88 Ų88123.3 Ų123.362%0.61577%0.768SS**  trans-131.7167.8-171.958.40000113.8
1199C30.7Very low37.1Very low128 Ų128124 Ų12487%0.86577%0.77SS**  trans-177.4158.8143.1-99.40000115.5
1200P44.1Very low37Very low115 Ų115123.1 Ų123.175%0.74778%0.775SS**  trans-119.1169.9177.942.9-32.8000115.5
1201P48.8Very low37.1Very low119 Ų119122.8 Ų122.877%0.77378%0.776SS**  trans-138.5179.5166.345.6-31.2000114.3
1202P46Very low36.9Very low121 Ų121124.3 Ų124.379%0.78679%0.789SS**  -138.3174.7-68.140.7-23.6000115
1203V35.1Very low36.9Very low137 Ų137122.4 Ų122.483%0.8379%0.79SS**  trans-115149.4156-91.20000109.7
1204P49Very low36.6Very low122 Ų122123.1 Ų123.179%0.79279%0.794SS**  trans-82.8124.9-174.531.7-33.7000113.1
1205S36Very low36.6Very low120 Ų120125.3 Ų125.384%0.83980%0.799SS**  trans-155.8142.3159.1-73.50000107.8
1206V44.5Very low36.4Very low142 Ų142127.4 Ų127.486%0.86180%0.798SS**  trans-138.3154.6-166.4-104.70000110.4
1207P37.3Very low36.4Very low112 Ų112126.9 Ų126.973%0.72780%0.796SS**  -138.4-173.3-109.842.3-25.4000114.5
1208P35.2Very low36.2Very low116 Ų116127.7 Ų127.775%0.75379%0.79SS**  trans-115.7131.5158.735.4-25000114.7
1209V34.4Very low36.2Very low138 Ų138129.6 Ų129.684%0.83680%0.798SS**  trans50.4118138.6-172.60000121.5
1210V32.5Very low36.3Very low138 Ų138127.5 Ų127.584%0.83679%0.789SS**  trans-160.2158.6132.6-990000107.4
1211S35Very low36.1Very low108 Ų108128 Ų12876%0.75579%0.792SS**  cis-149.9162.331.1-49.30000112.6
1212N31.8Very low35.4Very low177 Ų177131.1 Ų131.195%0.94779%0.794SS**  trans-99148.7166.2-102.1-3.3000111.7
1213G35.9Very low34.7Very low76 Ų76132.8 Ų132.878%0.78479%0.791SS**  trans-140.4128.8171.800000111.2
1214T29.2Very low34.5Very low130 Ų130132 Ų13280%0.79879%0.787SS**  trans-86.7132.1-163.5-46.50000114.5
1215L34.9Very low33.9Very low166 Ų166131.9 Ų131.987%0.86979%0.786SS**  trans-151115144.4-84.6-169.8000112.7
1216N26.6Very low33.6Very low134 Ų134131.6 Ų131.672%0.71778%0.784SS**  trans23156.2140.5-80.423000125.2
1217L31.9Very low33Very low142 Ų142129.2 Ų129.274%0.74378%0.779SS**  trans72.9143.2166.6-88.471.9000116.5
1218E28.1Very low32.7Very low153 Ų153129.2 Ų129.272%0.71578%0.777SS**  cis-164.7163-22-143.3179.271.600110.5
1219V33.5Very low32.5Very low128 Ų128129.6 Ų129.678%0.77677%0.773SS**  trans63.6144.1162.8-178.70000117.6
1220A32.1Very low32.3Very low84 Ų84130.2 Ų130.269%0.69477%0.767SS**  cis-163.5152.6-36.100000108.7
1221P39.4Very low32.2Very low124 Ų124129.7 Ų129.781%0.80576%0.759SS**  trans-96.7166.5-178.438.3-36.3000113.9
1222K34.4Very low32.1Very low186 Ų186130 Ų13081%0.80976%0.757SS**  trans179.4153.6158.8-101.7-177-177.9-178.70110.5
1223Q32.5Very low32.1Very low155 Ų155127.4 Ų127.472%0.72474%0.742SS**  cis-159.5167.4-21.7-136.4166.1-5.600111.3
1224T31.4Very low31.9Very low121 Ų121129 Ų12974%0.74274%0.737SS**  trans-64173.9169.339.70000113.4
1225P36.3Very low32Very low119 Ų119131.2 Ų131.277%0.77374%0.738SS**  cis-134.5179.727.741.7-21.3000115.4
1226S28.9Very low31.9Very low114 Ų114131.5 Ų131.580%0.79774%0.735SS**  cis88.4100.518.1-162.50000117.8
1227A32.6Very low32.2Very low92 Ų92130.3 Ų130.376%0.7674%0.737SS**  trans-174.7157.3158.900000110.6
1228T30.4Very low32.2Very low113 Ų113128.8 Ų128.869%0.69374%0.738SS**  cis-174.9157.4-24.4-90.20000108.4
1229N30.7Very low32.3Very low124 Ų124126.2 Ų126.266%0.66374%0.737SS**  trans76.4118.1169-72.8-12.8000117.5
1230Q31Very low32.3Very low151 Ų151126.5 Ų126.571%0.70674%0.74SS**  98.5145.578.2-82.7179.742.400110.8
1231N30.2Very low32.3Very low126 Ų126127.3 Ų127.367%0.67475%0.746SS**  cis-161.8167.5-0-133.75.5000109.8
1232V32.6Very low31.8Very low116 Ų116126.9 Ų126.970%0.70375%0.746SS**  trans62.1143.2146169.80000117.7
1233D32Very low31.5Very low121 Ų121124.2 Ų124.265%0.64775%0.746SS**  cis-162.7134.6-26.7-106.3-61.9000105.3
1234T30.7Very low31.2Very low109 Ų109121 Ų12167%0.66975%0.745SS**  74.2143.590.1-53.20000115.5
1235Q31.6Very low31Very low177 Ų177120.7 Ų120.783%0.82774%0.743SS**  trans91.3139.5175.4-54-160.57.900118.6
1236H33.9Very low30.6Very low173 Ų173122.5 Ų122.580%0.80175%0.746SS**  cis-162.8161.4-34.3-131.2-94.4000109.5
1237S31.4Very low30.5Very low109 Ų109123.1 Ų123.176%0.76274%0.744SS**  trans-86.1149.6-174.7-25.50000114.8
1238S32.7Very low30.3Very low109 Ų109123.9 Ų123.976%0.76274%0.744SS**  trans-173.1126.8140.160.30000115.7
1239S31Very low30.4Very low99 Ų99127.7 Ų127.769%0.69275%0.754SS**  trans32.5135.3139.963.50000122.8
1240T32.8Very low30.4Very low135 Ų135127.6 Ų127.683%0.82876%0.758SS**  175.7167.997.831.70000113
1241A32.8Very low30.3Very low100 Ų100126.4 Ų126.483%0.82676%0.763SS**  trans67.1126156.400000119.8
1242S28.4Very low30.4Very low115 Ų115124.8 Ų124.880%0.80477%0.768SS**  trans-95.1179.7175.9-51.90000112.7
1243T26.9Very low30.2Very low131 Ų131125.6 Ų125.680%0.80477%0.773SS**  trans95102.2152.8-49.60000116.8
1244A26.4Very low30.2Very low87 Ų87125.7 Ų125.772%0.71978%0.778SS**  trans34.1140.3144.300000121.3
1245T27.5Very low30.2Very low114 Ų114128.7 Ų128.770%0.69978%0.784SS**  167120.2105.9-70.90000112.6
1246L27.4Very low30.1Very low158 Ų158126.6 Ų126.683%0.82778%0.783SS**  trans61.9172.1156.4-71.1169.1000121.7
1247V27.5Very low30.1Very low126 Ų126123.5 Ų123.576%0.76478%0.776SS**  trans66.7109.6160.8-74.60000121.9
1248S28.5Very low30.3Very low108 Ų108124.5 Ų124.576%0.75578%0.78SS**  75.492.2123.7-56.60000120.8
1249E31.6Very low30.3Very low194 Ų194126.8 Ų126.891%0.90778%0.782SS**  trans-112.489.2147-71.2-164.8130.400111
1250T31.6Very low30.4Very low122 Ų122126.8 Ų126.875%0.74878%0.782SS**  trans22.4113.3149.4560000119.9
1251P29Very low30.8Very low125 Ų125126 Ų12681%0.81278%0.777SS**  trans-66.8132.714730.7-32.3000109.2T1253P1251-T1253 PolarHBondContact O-N 3.43Å
1252A31.7Very low31.2Very low92 Ų92126.9 Ų126.976%0.7677%0.774SS**  trans-69.3116.5179.900000111.1V1254A1252-V1254 PolarHBondContact O-N 3.13Å; A1252-V1254 VanDerWaalsContact O-N 3.12Å
1253T28.3Very low31.6Very low134 Ų134125.5 Ų125.582%0.82277%0.769SS**  trans-68.6106.2177.5-50.60000110.9P1251P1251-T1253 PolarHBondContact O-N 3.43Å
1254V32.2Very low31.9Very low123 Ų123123.4 Ų123.475%0.74576%0.758SS**  trans-105.6124.6165.7-179.60000108.1A1252 V1256A1252-V1254 PolarHBondContact O-N 3.13Å; A1252-V1254 VanDerWaalsContact O-N 3.12Å; V1254-V1256 PolarHBondContact O-N 3.45Å
1255H30.4Very low32.1Very low172 Ų172124.4 Ų124.480%0.79676%0.755SS**  trans-60.8127.8179.5-86.6-94000111.6
1256V30.5Very low32.2Very low133 Ų133122.8 Ų122.881%0.80674%0.74SS**  trans-115.2117.5156.5179.60000107.1V1254V1254-V1256 PolarHBondContact O-N 3.45Å
1257T32.7Very low32.3Very low107 Ų107120.7 Ų120.766%0.65673%0.726SS**PPolyproline II helixtrans-79.5122176.745.80000110.3I1259T1257-I1259 PolarHBondContact O-N 2.99Å
1258P36.7Very low32.5Very low130 Ų130119.8 Ų119.884%0.84472%0.722SS**PPolyproline II helixtrans-73.9120.4169.530.1-31.8000109.7
1259I32.9Very low32.3Very low158 Ų158120.6 Ų120.681%0.8172%0.718SS**PPolyproline II helixtrans-90.3142.1164.1-69.3179.5000108.2T1257T1257-I1259 PolarHBondContact O-N 2.99Å
1260S33Very low32.1Very low98 Ų98118 Ų11869%0.68571%0.714SS**PPolyproline II helixtrans-79130.8-169.7-179.40000113.7
1261V41.1Very low31.8Very low120 Ų120118.7 Ų118.773%0.72771%0.712SS**  15.9134.9118.2-137.90000114.4
1262P41.6Very low31.7Very low117 Ų117119.6 Ų119.676%0.7671%0.71SS**  -156.8158.757.943.6-22.3000124
1263A36.2Very low31.6Very low86 Ų86122.7 Ų122.771%0.71171%0.709SS**  trans95.9138.9137.100000120.5
1264P32.5Very low31.7Very low87 Ų87125.4 Ų125.457%0.56571%0.712SS**  trans-108.5-167.8-172.944.1-35.4000113
1265V31.5Very low31.5Very low108 Ų108123.6 Ų123.666%0.65571%0.705SS**  trans-128.1109.4163.4176.70000108.9L1401V1265-L1401 HydrophobicContact CG2-CD1 4.2Å
1266Q28.6Very low31.4Very low80 Ų80121.1 Ų121.137%0.37470%0.697SS.*  trans-56.3136.5164.8-95.9100.7-26.100110.8E659E659-Q1266 VanDerWaalsContact CD-NE2 3.3Å; E659-Q1266 PolarHBondContact OE1-NE2 3.35Å; E659-Q1266 PolarHBondContact OE2-NE2 2.93Å
1267E31.2Very low31.2Very low115 Ų115119.7 Ų119.754%0.53769%0.688SS.*  71.3159.777.2-102.4-145.4137.100113.7
1268P30.5Very low31.1Very low107 Ų107121.3 Ų121.370%0.69569%0.692SS**  cis-118.8164.524.241.8-31.1000116.9
1269L24.8Very low30.8Very low125 Ų125119.8 Ų119.865%0.65468%0.681SS**  trans-52139.9153.7-75.7154.4000111.7
1270V27.1Very low30.7Very low138 Ų138119 Ų11984%0.83667%0.674SS**  trans-112.797.9155.5179.10000107.2
1271I25.8Very low30.5Very low137 Ų137118.9 Ų118.970%0.70367%0.665SS**  trans-92.1112161.7-60172.3000106
1272D27.2Very low30.1Very low145 Ų145117 Ų11778%0.77565%0.651SS**  trans-147.6157.7151.3-144.6-24.8000110.4
1273H27.7Very low29.6Very low157 Ų157114 Ų11473%0.72763%0.632SS**  trans-86.9140.5-171.8-68.4-18.1000112.5
1274H31.2Very low29.5Very low191 Ų191115.8 Ų115.888%0.88463%0.626SS**  trans-144.2133.4137.9-109.9-75.2000111.4
1275S28.8Very low29.5Very low85 Ų85118.1 Ų118.159%0.59463%0.633SS**  trans-82.8-172.4178.946.50000112.4
1276D26.9Very low29.4Very low120 Ų120122 Ų12264%0.64264%0.636SS**  trans76.344.9157.1-49.8-50.7000118.6
1277V27.6Very low29.4Very low102 Ų102124.9 Ų124.962%0.61865%0.647SS**SBendtrans-128.2-41.1150.7-175.30000112.4T1279 Q1280V1277-T1279 VanDerWaalsContact C-N 3.34Å; V1277-T1279 PolarHBondContact O-N 2.97Å; V1277-Q1280 WeakPolarHBondContact O-CB 3.35Å; V1277-Q1280 PolarHBondContact O-N 2.92Å; V1277-Q1280 VanDerWaalsContact O-N 3.12Å
1278L29.8Very low29.2Very low142 Ų142124.5 Ų124.574%0.74366%0.656SS**Hα-helixtrans-77.3-15.7-175-73.2172.1000114.8Q1280 L1281 D1282L1278-Q1280 PolarHBondContact O-N 3.37Å; L1278-L1281 PolarHBondContact O-N 3.06Å; L1278-D1282 PolarHBondContact O-N 3.04Å
1279T31.4Very low29.1Very low97 Ų97128.4 Ų128.460%0.59566%0.662SS**Hα-helixtrans-69.3-20.2166.538.70000112.9V1277 S1283V1277-T1279 VanDerWaalsContact C-N 3.34Å; V1277-T1279 PolarHBondContact O-N 2.97Å; T1279-S1283 PolarHBondContact O-OG 3.38Å
1280Q29.5Very low29.1Very low143 Ų143131 Ų13167%0.66867%0.671SS**Hα-helixtrans-87.6-18.3177.5-157.874.423.600113V1277 L1278 S1283V1277-Q1280 WeakPolarHBondContact O-CB 3.35Å; V1277-Q1280 PolarHBondContact O-N 2.92Å; V1277-Q1280 VanDerWaalsContact O-N 3.12Å; L1278-Q1280 PolarHBondContact O-N 3.37Å; Q1280-S1283 VanDerWaalsContact C-OG 3.32Å; Q1280-S1283 PolarHBondContact O-OG 3.44Å
1281L30.4Very low29.1Very low95 Ų95131 Ų13150%0.49767%0.671SS.*Hα-helixtrans-93.1-36.6178.4-94.479.2000113.6L1278 S1283 E1284 L1285L1278-L1281 PolarHBondContact O-N 3.06Å; L1281-S1283 PolarHBondContact O-N 3.33Å; L1281-E1284 PolarHBondContact O-N 2.91Å; L1281-E1284 VanDerWaalsContact O-N 3.13Å; L1281-L1285 PolarHBondContact O-N 2.98Å; L1281-L1285 VanDerWaalsContact O-N 3.1Å
1282D31.1Very low29.3Very low81 Ų81129.3 Ų129.343%0.43367%0.672SS.*THydrogen-bonded Turntrans-71.6-7.6175.3-16530.8000112.8L1278 R1286L1278-D1282 PolarHBondContact O-N 3.04Å; D1282-R1286 VanDerWaalsContact CG-NE 3.31Å; D1282-R1286 WeakPolarHBondContact O-CD 3.23Å; D1282-R1286 VanDerWaalsContact O-CG 3.27Å; D1282-R1286 WeakPolarHBondContact O-CG 3.34Å; D1282-R1286 IonicContact OD1-CZ 3.48Å; D1282-R1286 IonicContact OD1-NE 2.71Å; D1282-R1286 PolarHBondContact OD1-NE 3.22Å; D1282-R1286 IonicContact OD1-NH2 3.54Å; D1282-R1286 PolarHBondContact OD1-NH2 2.88Å; D1282-R1286 IonicContact OD2-CZ 3.58Å; D1282-R1286 IonicContact OD2-NE 2.77Å; D1282-R1286 PolarHBondContact OD2-NE 3.36Å; D1282-R1286 IonicContact OD2-NH2 3.52Å; D1282-R1286 PolarHBondContact OD2-NH2 2.89Å
1283S31Very low29.3Very low53 Ų53126 Ų12637%0.37167%0.672SS.*THydrogen-bonded Turntrans-91.9-12.6170.3500000115.1T1279 Q1280 L1281T1279-S1283 PolarHBondContact O-OG 3.38Å; Q1280-S1283 VanDerWaalsContact C-OG 3.32Å; Q1280-S1283 PolarHBondContact O-OG 3.44Å; L1281-S1283 PolarHBondContact O-N 3.33Å
1284E34.6Very low29.3Very low123 Ų123124.7 Ų124.758%0.57567%0.674SS**THydrogen-bonded Turntrans-100.7-41.4174.4-78.5-68.7104.500111.5L1281 R1286 K1287L1281-E1284 PolarHBondContact O-N 2.91Å; L1281-E1284 VanDerWaalsContact O-N 3.13Å; E1284-R1286 PolarHBondContact O-N 2.88Å; E1284-R1286 VanDerWaalsContact O-N 3.15Å; E1284-K1287 PolarHBondContact O-N 3.35Å; E1284-K1287 VanDerWaalsContact O-N 3.14Å; E1284-K1287 IonicContact OE1-NZ 3.08Å
1285L32.7Very low29.3Very low137 Ų137121.2 Ų121.272%0.71767%0.672SS**THydrogen-bonded Turntrans-67.1-13.8176.9-82.3164.1000114L1281L1281-L1285 PolarHBondContact O-N 2.98Å; L1281-L1285 VanDerWaalsContact O-N 3.1Å
1286R30.1Very low29.6Very low190 Ų190125 Ų12572%0.71768%0.68SS**THydrogen-bonded Turntrans-93.117.7173.3-63.2-175-168-146.212.1114.5D1282 E1284D1282-R1286 VanDerWaalsContact CG-NE 3.31Å; D1282-R1286 WeakPolarHBondContact O-CD 3.23Å; D1282-R1286 VanDerWaalsContact O-CG 3.27Å; D1282-R1286 WeakPolarHBondContact O-CG 3.34Å; D1282-R1286 IonicContact OD1-CZ 3.48Å; D1282-R1286 IonicContact OD1-NE 2.71Å; D1282-R1286 PolarHBondContact OD1-NE 3.22Å; D1282-R1286 IonicContact OD1-NH2 3.54Å; D1282-R1286 PolarHBondContact OD1-NH2 2.88Å; D1282-R1286 IonicContact OD2-CZ 3.58Å; D1282-R1286 IonicContact OD2-NE 2.77Å; D1282-R1286 PolarHBondContact OD2-NE 3.36Å; D1282-R1286 IonicContact OD2-NH2 3.52Å; D1282-R1286 PolarHBondContact OD2-NH2 2.89Å; E1284-R1286 PolarHBondContact O-N 2.88Å; E1284-R1286 VanDerWaalsContact O-N 3.15Å
1287K28.6Very low29.8Very low139 Ų139124.6 Ų124.660%0.60469%0.686SS**SBendtrans-118.1-2.4173.7-74.3176-171.5151.90115.5E1284 F1289E1284-K1287 PolarHBondContact O-N 3.35Å; E1284-K1287 VanDerWaalsContact O-N 3.14Å; E1284-K1287 IonicContact OE1-NZ 3.08Å; K1287-F1289 PolarHBondContact O-N 3.29Å
1288C26.3Very low30.1Very low108 Ų108124.6 Ų124.673%0.7370%0.697SS**SBendtrans-86.622.3176.5-68.90000114.5
1289F27.5Very low30.2Very low188 Ų188123.2 Ų123.283%0.82570%0.699SS**SBendtrans-138.8139.6161.6-95.3-91.4000109K1287K1287-F1289 PolarHBondContact O-N 3.29Å
1290Q26.1Very low30.6Very low181 Ų181123.9 Ų123.985%0.84671%0.705SS**  trans74.669-177.1-54.2-170.44.100118.1
1291V27.2Very low30.9Very low137 Ų137121.7 Ų121.783%0.8371%0.705SS**  trans-130.1101.4142.4-176.90000106.3
1292S29.3Very low31Very low102 Ų102123 Ų12371%0.71372%0.718SS**  77.484.759.6-60.50000114.2
1293G28.3Very low31Very low76 Ų76124.9 Ų124.978%0.78473%0.732SS**  trans53.4110.3141.900000120.3
1294V27.1Very low30.9Very low128 Ų128127.7 Ų127.778%0.77675%0.747SS**  trans-107.8119155.7179.90000108.9
1295S31.1Very low30.7Very low118 Ų118129.3 Ų129.383%0.82575%0.754SS**  trans-114.5130.8175.3-59.10000110.3
1296H35.2Very low30.6Very low166 Ų166126.8 Ų126.877%0.76975%0.748SS**  trans-103.2113.7177.6-85.4-75.6000112.9
1297S31Very low30.5Very low111 Ų111124.4 Ų124.478%0.77675%0.749SS**  trans51.996.3146.560.40000120.2
1298A33.7Very low30.6Very low101 Ų101123.6 Ų123.684%0.83576%0.756SS**  trans-154.585.9137.400000111.5
1299S32.7Very low30.6Very low114 Ų114122.8 Ų122.880%0.79775%0.751SS**  trans7.5153.4152.5-61.90000122.6
1300P40Very low30.8Very low111 Ų111121.1 Ų121.172%0.72175%0.748SS**  cis-146.8-177.4-20.840.9-21.6000116.7
1301S34.1Very low31Very low96 Ų96118 Ų11867%0.67174%0.741SS**  trans89.3101141.7-69.10000122.4
1302T32.3Very low31.5Very low124 Ų124116.7 Ų116.776%0.76174%0.735SS**  96.3127.8114.451.90000123
1303V31.7Very low31.4Very low120 Ų120119.8 Ų119.873%0.72774%0.739SS**  trans86.6106.5139.3160.30000116.8
1304V30Very low31.4Very low112 Ų112120.8 Ų120.868%0.67973%0.73SS**  87.5129.663.4154.50000109.7
1305E30.4Very low31.5Very low156 Ų156122.2 Ų122.273%0.72973%0.731SS**  cis-169.6171.83.9-128.3-179.7-154.200112.7
1306S29.7Very low31.8Very low85 Ų85121.6 Ų121.659%0.59472%0.724SS**  trans62.6156.7137.4-64.80000121.8
1307L28.9Very low31.5Very low139 Ų139121.4 Ų121.473%0.72873%0.728SS**  cis-168.4161.2-19.2-106.5169.9000109
1308T29.3Very low31.4Very low123 Ų123118.5 Ų118.576%0.75571%0.711SS**  trans63156.715049.10000121.4
1309S27.9Very low31.1Very low91 Ų91118 Ų11864%0.63670%0.701SS**  cis-174.9174.4-25.658.20000112.9
1310M30.8Very low30.8Very low153 Ų153119.7 Ų119.775%0.75470%0.696SS**  trans73.895155.7-60.4-57.5103.400122.2
1311T29.6Very low30.3Very low115 Ų115118 Ų11871%0.70668%0.684SS**  -12.5173.7118.651.70000120.1
1312P37.9Very low30.3Very low109 Ų109119.5 Ų119.571%0.70869%0.688SS**  cis-140.2-167.9-34.836.5-16000113.3
1313Q28Very low30.3Very low168 Ų168119.3 Ų119.379%0.78569%0.689SS**  trans146.7129.5130.7-83.3-131.2-1.900118.7
1314T27.5Very low30.1Very low97 Ų97117.9 Ų117.960%0.59569%0.69SS**  83.290.9125.4-58.10000123
1315I29.8Very low30Very low158 Ų158117.6 Ų117.681%0.8169%0.693SS**  82.9150.2115.3-79.8166.8000121.8
1316P37.9Very low29.8Very low104 Ų104117.7 Ų117.768%0.67570%0.697SS**  trans-128.7-168.7-15841.7-22.9000114.8
1317L28.9Very low29.6Very low162 Ų162116.9 Ų116.985%0.84870%0.702SS**  trans-178.8151.2133.6-123.469.7000116.9
1318A28.5Very low29.5Very low50 Ų50119.9 Ų119.941%0.41371%0.712SS.*  trans76.6111.613400000125.7P720P720-A1318 HydrophobicContact CG-CB 3.82Å
1319C27.3Very low29.3Very low92 Ų92118.2 Ų118.262%0.62271%0.711SS**  86.7134.1114.5-67.20000125.7
1320Q27.6Very low29.8Very low148 Ų148119.5 Ų119.569%0.69272%0.717SS**  trans70.4150.9144.5-98.117655.600119.4
1321T27.9Very low29.6Very low77 Ų77116.9 Ų116.947%0.47272%0.719SS.*  cis-149.116210.1-33.90000111.4L722L722-T1321 WeakPolarHBondContact CB-OG1 3.31Å
1322V33.9Very low29.6Very low126 Ų126117.2 Ų117.276%0.76472%0.721SS**  trans-73.8157.9157.8-146.90000109.9
1323P32.4Very low29.3Very low121 Ų121119.4 Ų119.479%0.78673%0.725SS**  -149.1167102.138.8-23.1000115
1324A28.9Very low29.2Very low89 Ų89115.9 Ų115.974%0.73673%0.725SS**  trans-90.5148.3168.300000111.7
1325S26.6Very low29.1Very low106 Ų106115.9 Ų115.974%0.74174%0.735SS**  trans-160.3116.7153.8-87.50000113.9
1326I26.3Very low29.2Very low159 Ų159112.4 Ų112.482%0.81573%0.73SS**  62.593.2121.2-57165.6000117.7
1327G26.3Very low28.7Very low68 Ų68116.6 Ų116.670%0.70174%0.74SS**  51.9116.7113.400000121.2
1328Q27.1Very low28.8Very low202 Ų202113.5 Ų113.594%0.94474%0.737SS**  -150.2137.4128.6-111.6170.236.500110.3
1329A24.7Very low28.9Very low87 Ų87116 Ų11672%0.71976%0.758SS**  trans-104.7140.6-17900000111.3A1331A1329-A1331 VanDerWaalsContact C-N 3.34Å; A1329-A1331 PolarHBondContact O-N 3.09Å
1330P37.8Very low29.1Very low119 Ų119116.3 Ų116.377%0.77376%0.761SS**  trans-86.173165.934.7-32.1000110.5V1332P1330-V1332 PolarHBondContact O-N 2.89Å
1331A27.1Very low29.3Very low97 Ų97116.6 Ų116.680%0.80277%0.767SS**  trans-80.866.7170.400000110.9A1329A1329-A1331 VanDerWaalsContact C-N 3.34Å; A1329-A1331 PolarHBondContact O-N 3.09Å
1332V28.8Very low29.6Very low122 Ų122119.8 Ų119.874%0.73978%0.779SS**  trans-147.6133177.5-132.90000106.4P1330P1330-V1332 PolarHBondContact O-N 2.89Å
1333I32.1Very low29.8Very low156 Ų156119 Ų11980%0.878%0.777SS**  cis-128.7141.925.9-66.8161.2000111.3
1334A25.5Very low29.9Very low93 Ų93120.3 Ų120.377%0.76978%0.777SS**  trans-110.5166.6165.100000111
1335A26.9Very low30.2Very low98 Ų98120.3 Ų120.381%0.8178%0.777SS**  trans67.7155-175.800000115.1
1336A32.1Very low30.6Very low85 Ų85120 Ų12070%0.70278%0.775SS**  cis-133.4143.6-000000109.3
1337H26.7Very low31.1Very low192 Ų192119.2 Ų119.289%0.88978%0.777SS**  47.298.275.2-93.1-85.3000115.2
1338A30.1Very low31.6Very low96 Ų96120.8 Ų120.879%0.79378%0.775SS**  trans178.3130.6130.300000114.1
1339A31.9Very low31.7Very low103 Ų103120.4 Ų120.485%0.85177%0.774SS**  trans58.8151.1144.300000121.8
1340S30.2Very low32.1Very low98 Ų98121.8 Ų121.869%0.68578%0.778SS**  cis-172.4175.7-22.8-168.30000109.8
1341L33.2Very low31.9Very low154 Ų154121.9 Ų121.981%0.80678%0.778SS**  trans70.8100.6167.2-51.2169.9000115.5
1342I32.4Very low32.1Very low145 Ų145121.8 Ų121.874%0.74477%0.772SS**  cis60.911732.6-58.8178.6000110.7
1343P39.6Very low32Very low108 Ų108125.9 Ų125.970%0.70177%0.774SS**  -153147.373.839.6-19.2000121.1
1344N34.3Very low32Very low149 Ų149125.3 Ų125.380%0.79777%0.772SS**  trans63.5151.4135.8-61.3-4.7000120.6
1345A35.1Very low32.1Very low89 Ų89127.4 Ų127.474%0.73677%0.77SS**  cis-160.4167.73.900000109.1
1346S35Very low32.4Very low100 Ų100126.5 Ų126.570%0.69976%0.762SS**  cis-175.3-169.4-16.7-85.90000108.2
1347V36.8Very low32.3Very low142 Ų142132 Ų13286%0.86177%0.774SS**  trans89129.4173.7-173.70000113.6
1348P35.7Very low32.4Very low102 Ų102129.3 Ų129.366%0.66277%0.771SS**  -140.9156.9-112.544.1-27.9000119.9
1349Q30.4Very low32.5Very low194 Ų194127.3 Ų127.391%0.90776%0.76SS**  trans44.5117.5132.7-59.9175.5-18.700122.2
1350S32.9Very low32.7Very low115 Ų115129.3 Ų129.380%0.80476%0.756SS**  trans-144.2155.2139.456.90000108.9
1351P33.7Very low33Very low121 Ų121128.9 Ų128.979%0.78676%0.758SS**  trans-103.6138.2-131-5.425.9000119.1
1352S30Very low33.2Very low96 Ų96122.5 Ų122.567%0.67173%0.729SS**  24.9142.3124.670.30000123.5
1353R27.9Very low33.6Very low207 Ų207120.4 Ų120.478%0.78172%0.719SS**  trans65.1121.7147.4-66.1170.297.9178.57.6118.3
1354L31.6Very low33.8Very low145 Ų145121.4 Ų121.476%0.75971%0.714SS**  -166.9136.187.4-83.6165.3000105.8
1355D28.2Very low34.4Very low137 Ų137120.6 Ų120.673%0.73371%0.706SS**  5365.655.5-62.8-36.3000112.4
1356A32.3Very low35.1Very low78 Ų78123.5 Ų123.565%0.64570%0.702SS**  trans-148.265.4173.600000111.9T1358A1356-T1358 VanDerWaalsContact C-N 3.26Å; A1356-T1358 PolarHBondContact O-N 3.44Å
1357E30.6Very low35.9Very low200 Ų200124.1 Ų124.194%0.93570%0.697SS**  trans-68.287.7155.5-77.2-167121.500109
1358T29.4Very low36.6Very low136 Ų136121.4 Ų121.483%0.83467%0.674SS**  trans-178.8149.5164.410.90000108.9A1356A1356-T1358 VanDerWaalsContact C-N 3.26Å; A1356-T1358 PolarHBondContact O-N 3.44Å
1359G32.4Very low37.7Very low55 Ų55119 Ų11957%0.56766%0.663SS**  trans127.59.7164.200000119.8A1361G1359-A1361 CarbonylContact C-O 3.12Å; G1359-A1361 VanDerWaalsContact CA-O 3.26Å; G1359-A1361 WeakPolarHBondContact CA-O 3.47Å
1360L35.4Very low38.8Very low145 Ų145115.7 Ų115.776%0.75965%0.651SS**SBendtrans-99.4-20.4158.5-75.7178.1000113.4G1362 L1363L1360-G1362 PolarHBondContact O-N 3.27Å; L1360-L1363 HydrophobicContact CD2-CD1 4.11Å; L1360-L1363 PolarHBondContact O-N 3.13Å; L1360-L1363 VanDerWaalsContact O-N 3.13Å
1361A35.6Very low40.1Very low88 Ų88116.6 Ų116.673%0.72764%0.641SS**THydrogen-bonded Turntrans-59.9119.5137.300000106.7G1359G1359-A1361 CarbonylContact C-O 3.12Å; G1359-A1361 VanDerWaalsContact CA-O 3.26Å; G1359-A1361 WeakPolarHBondContact CA-O 3.47Å
1362G37Very low41.1Very low20 Ų20116.7 Ų116.721%0.20663%0.632CS.*THydrogen-bonded Turntrans123.9-18.6-16100000113.9L1360 K1366L1360-G1362 PolarHBondContact O-N 3.27Å; G1362-K1366 VanDerWaalsContact O-CB 3.23Å; G1362-K1366 WeakPolarHBondContact O-CB 3.27Å; G1362-K1366 WeakPolarHBondContact O-CD 3.22Å; G1362-K1366 WeakPolarHBondContact O-CG 3.26Å; G1362-K1366 PolarHBondContact O-N 2.98Å; G1362-K1366 VanDerWaalsContact O-N 3.15Å
1363L42.7Very low42.4Very low102 Ų102114.6 Ų114.653%0.53461%0.612SS.*THydrogen-bonded Turntrans-91.8-40.8169.9-126.6170.4000111.8L1360 K1366 L1367L1360-L1363 HydrophobicContact CD2-CD1 4.11Å; L1360-L1363 PolarHBondContact O-N 3.13Å; L1360-L1363 VanDerWaalsContact O-N 3.13Å; L1363-K1366 PolarHBondContact O-N 3.2Å; L1363-L1367 HydrophobicContact CD2-CD1 4.11Å; L1363-L1367 PolarHBondContact O-N 3.01Å
1364H42.7Very low43.7Very low128 Ų128110.6 Ų110.659%0.59360%0.602SS**Hα-helixtrans-59.8-52.2162.9-164.3-86000109.7K1366 L1367 E1368H1364-K1366 PolarHBondContact O-N 2.93Å; H1364-K1366 VanDerWaalsContact O-N 3.12Å; H1364-L1367 CarbonylContact O-C 3.53Å; H1364-L1367 WeakPolarHBondContact O-CA 3.45Å; H1364-L1367 WeakPolarHBondContact O-CB 3.49Å; H1364-L1367 PolarHBondContact O-N 3.46Å; H1364-E1368 VanDerWaalsContact CE1-CD 3.45Å; H1364-E1368 IonicContact CE1-OE1 3.72Å; H1364-E1368 PolarHBondContact CE1-OE1 3.07Å; H1364-E1368 IonicContact CE1-OE2 2.72Å; H1364-E1368 PolarHBondContact CE1-OE2 2.99Å; H1364-E1368 VanDerWaalsContact CE1-OE2 3.23Å; H1364-E1368 IonicContact ND1-OE1 2.67Å; H1364-E1368 IonicContact ND1-OE2 3.5Å; H1364-E1368 PolarHBondContact ND1-OE2 3.05Å; H1364-E1368 WeakPolarHBondContact O-CB 3.18Å; H1364-E1368 PolarHBondContact O-N 2.97Å
1365E48.1Very low44.5Very low133 Ų133108.2 Ų108.262%0.62159%0.59SS**Hα-helixtrans-61.4-23.3179.1-161.6179.6-178.600113.5A1369E1365-A1369 WeakPolarHBondContact O-CA 3.47Å; E1365-A1369 WeakPolarHBondContact O-CB 3.49Å; E1365-A1369 PolarHBondContact O-N 3.1Å
1366K49Very low45.4Very low149 Ų149109.3 Ų109.365%0.64858%0.584SS**Hα-helixtrans-83.1-35.1169.2-82.6173.8-178.3172.60113.6G1362 L1363 H1364 L1370G1362-K1366 VanDerWaalsContact O-CB 3.23Å; G1362-K1366 WeakPolarHBondContact O-CB 3.27Å; G1362-K1366 WeakPolarHBondContact O-CD 3.22Å; G1362-K1366 WeakPolarHBondContact O-CG 3.26Å; G1362-K1366 PolarHBondContact O-N 2.98Å; G1362-K1366 VanDerWaalsContact O-N 3.15Å; L1363-K1366 PolarHBondContact O-N 3.2Å; H1364-K1366 PolarHBondContact O-N 2.93Å; H1364-K1366 VanDerWaalsContact O-N 3.12Å; K1366-L1370 WeakPolarHBondContact O-CB 3.5Å; K1366-L1370 WeakPolarHBondContact O-CD1 3.46Å; K1366-L1370 WeakPolarHBondContact O-CG 3.28Å; K1366-L1370 PolarHBondContact O-N 3.09Å
1367L52Low46.2Very low114 Ų114109.3 Ų109.360%0.59757%0.567SS**Hα-helixtrans-62.4-37.2166.6-104.473.1000111.1L1363 H1364 K1371L1363-L1367 HydrophobicContact CD2-CD1 4.11Å; L1363-L1367 PolarHBondContact O-N 3.01Å; H1364-L1367 CarbonylContact O-C 3.53Å; H1364-L1367 WeakPolarHBondContact O-CA 3.45Å; H1364-L1367 WeakPolarHBondContact O-CB 3.49Å; H1364-L1367 PolarHBondContact O-N 3.46Å; L1367-K1371 VanDerWaalsContact O-CB 3.29Å; L1367-K1371 WeakPolarHBondContact O-CB 3.48Å; L1367-K1371 PolarHBondContact O-N 3.19Å
1368E51.4Low46.8Very low84 Ų84105.4 Ų105.439%0.39355%0.549SS..Hα-helixtrans-86.1-29.9-173.5-167.8163.2-134.600112.1H1364 K1371 M1372H1364-E1368 VanDerWaalsContact CE1-CD 3.45Å; H1364-E1368 IonicContact CE1-OE1 3.72Å; H1364-E1368 PolarHBondContact CE1-OE1 3.07Å; H1364-E1368 IonicContact CE1-OE2 2.72Å; H1364-E1368 PolarHBondContact CE1-OE2 2.99Å; H1364-E1368 VanDerWaalsContact CE1-OE2 3.23Å; H1364-E1368 IonicContact ND1-OE1 2.67Å; H1364-E1368 IonicContact ND1-OE2 3.5Å; H1364-E1368 PolarHBondContact ND1-OE2 3.05Å; H1364-E1368 WeakPolarHBondContact O-CB 3.18Å; H1364-E1368 PolarHBondContact O-N 2.97Å; E1368-K1371 CarbonylContact O-C 3.6Å; E1368-K1371 PolarHBondContact O-N 2.89Å; E1368-M1372 WeakPolarHBondContact O-CB 3.4Å; E1368-M1372 WeakPolarHBondContact O-CG 3.4Å; E1368-M1372 PolarHBondContact O-N 3.36Å
1369A58.5Low47.3Very low52 Ų52105.5 Ų105.543%0.4354%0.544SS..Hα-helixtrans-74.4-31.4163.600000112.1E1365 K1371 E1373E1365-A1369 WeakPolarHBondContact O-CA 3.47Å; E1365-A1369 WeakPolarHBondContact O-CB 3.49Å; E1365-A1369 PolarHBondContact O-N 3.1Å; A1369-K1371 VanDerWaalsContact C-N 3.3Å; A1369-E1373 WeakPolarHBondContact O-CB 3.36Å; A1369-E1373 PolarHBondContact O-N 2.96Å
1370L53.1Low47.7Very low124 Ų124112 Ų11265%0.64956%0.562SS**Hα-helixtrans-66.7-34.9166.9-78.3167.2000111.2K1366 Q1374K1366-L1370 WeakPolarHBondContact O-CB 3.5Å; K1366-L1370 WeakPolarHBondContact O-CD1 3.46Å; K1366-L1370 WeakPolarHBondContact O-CG 3.28Å; K1366-L1370 PolarHBondContact O-N 3.09Å; L1370-Q1374 VanDerWaalsContact O-CB 3.27Å; L1370-Q1374 WeakPolarHBondContact O-CB 3.48Å; L1370-Q1374 PolarHBondContact O-N 3.19Å
1371K60.1Low47.7Very low135 Ų135108.6 Ų108.659%0.58756%0.563SS**Hα-helixtrans-71.9-43.3174.5-163.1171.3-177.3179.40112.2L1367 E1368 A1369 Q1374 D1375L1367-K1371 VanDerWaalsContact O-CB 3.29Å; L1367-K1371 WeakPolarHBondContact O-CB 3.48Å; L1367-K1371 PolarHBondContact O-N 3.19Å; E1368-K1371 CarbonylContact O-C 3.6Å; E1368-K1371 PolarHBondContact O-N 2.89Å; A1369-K1371 VanDerWaalsContact C-N 3.3Å; K1371-Q1374 CarbonylContact O-C 3.57Å; K1371-Q1374 WeakPolarHBondContact O-CA 3.43Å; K1371-Q1374 WeakPolarHBondContact O-CB 3.37Å; K1371-Q1374 PolarHBondContact O-N 2.85Å; K1371-D1375 PolarHBondContact O-N 2.92Å
1372M55.6Low47.7Very low122 Ų122111.4 Ų111.460%0.60157%0.565SS**Hα-helixtrans-69.6-34.3174.7-75.8-170.7-176.400112.9E1368 Q1374 R1376E1368-M1372 WeakPolarHBondContact O-CB 3.4Å; E1368-M1372 WeakPolarHBondContact O-CG 3.4Å; E1368-M1372 PolarHBondContact O-N 3.36Å; M1372-Q1374 PolarHBondContact O-N 2.87Å; M1372-R1376 WeakPolarHBondContact O-CB 3.43Å; M1372-R1376 PolarHBondContact O-N 3.45Å
1373E57.3Low47.6Very low53 Ų53118.2 Ų118.225%0.24860%0.597CS.*Hα-helixtrans-80.9-5173.2-174.956.5-16300112.3A1369 R1376 R1377A1369-E1373 WeakPolarHBondContact O-CB 3.36Å; A1369-E1373 PolarHBondContact O-N 2.96Å; E1373-R1376 IonicContact OE1-NH2 2.98Å; E1373-R1376 PolarHBondContact OE1-NH2 3.16Å; E1373-R1376 IonicContact OE2-CZ 2.77Å; E1373-R1376 IonicContact OE2-NE 3.35Å; E1373-R1376 PolarHBondContact OE2-NE 3.05Å; E1373-R1376 IonicContact OE2-NH2 3.45Å; E1373-R1376 PolarHBondContact OE2-NH2 2.93Å; E1373-R1377 VanDerWaalsContact CG-NH2 3.32Å; E1373-R1377 WeakPolarHBondContact O-CG 3.41Å; E1373-R1377 IonicContact OE1-CZ 3.03Å; E1373-R1377 VanDerWaalsContact OE1-CZ 3.23Å; E1373-R1377 IonicContact OE1-NE 2.71Å; E1373-R1377 PolarHBondContact OE1-NE 3.49Å; E1373-R1377 IonicContact OE1-NH2 3.23Å; E1373-R1377 PolarHBondContact OE1-NH2 3.17Å
1374Q54.5Low47.2Very low122 Ų122116.9 Ų116.957%0.5760%0.6SS**Hα-helixtrans-85.8-53.9161.6-174170.4-14.400110L1370 K1371 M1372 R1376 R1377L1370-Q1374 VanDerWaalsContact O-CB 3.27Å; L1370-Q1374 WeakPolarHBondContact O-CB 3.48Å; L1370-Q1374 PolarHBondContact O-N 3.19Å; K1371-Q1374 CarbonylContact O-C 3.57Å; K1371-Q1374 WeakPolarHBondContact O-CA 3.43Å; K1371-Q1374 WeakPolarHBondContact O-CB 3.37Å; K1371-Q1374 PolarHBondContact O-N 2.85Å; M1372-Q1374 PolarHBondContact O-N 2.87Å; Q1374-R1376 VanDerWaalsContact C-N 3.3Å; Q1374-R1376 PolarHBondContact O-N 3.31Å; Q1374-R1377 PolarHBondContact O-N 3.35Å
1375D48.3Very low46.8Very low95 Ų95119.1 Ų119.151%0.50862%0.615SS.*Hα-helixtrans-53.8-43.1175.1-67.6-27.4000111.9K1371 R1377 E1378K1371-D1375 PolarHBondContact O-N 2.92Å; D1375-R1377 PolarHBondContact O-N 3.4Å; D1375-R1377 VanDerWaalsContact O-N 3.13Å; D1375-E1378 PolarHBondContact O-N 2.66Å; D1375-E1378 VanDerWaalsContact O-N 3.11Å
1376R46.9Very low46.2Very low160 Ų160115.5 Ų115.560%0.60461%0.614SS**THydrogen-bonded Turntrans-77.49.5-178.8-154.7-160.264.469.45114.1M1372 E1373 Q1374M1372-R1376 WeakPolarHBondContact O-CB 3.43Å; M1372-R1376 PolarHBondContact O-N 3.45Å; E1373-R1376 IonicContact OE1-NH2 2.98Å; E1373-R1376 PolarHBondContact OE1-NH2 3.16Å; E1373-R1376 IonicContact OE2-CZ 2.77Å; E1373-R1376 IonicContact OE2-NE 3.35Å; E1373-R1376 PolarHBondContact OE2-NE 3.05Å; E1373-R1376 IonicContact OE2-NH2 3.45Å; E1373-R1376 PolarHBondContact OE2-NH2 2.93Å; Q1374-R1376 VanDerWaalsContact C-N 3.3Å; Q1374-R1376 PolarHBondContact O-N 3.31Å
1377R49.8Very low45.5Very low78 Ų78114.9 Ų114.929%0.29462%0.622SS.*THydrogen-bonded Turntrans-115.20.9166.5-65.9-171.6-162.1146.59.3113.4E1373 Q1374 D1375 M1477E1373-R1377 VanDerWaalsContact CG-NH2 3.32Å; E1373-R1377 WeakPolarHBondContact O-CG 3.41Å; E1373-R1377 IonicContact OE1-CZ 3.03Å; E1373-R1377 VanDerWaalsContact OE1-CZ 3.23Å; E1373-R1377 IonicContact OE1-NE 2.71Å; E1373-R1377 PolarHBondContact OE1-NE 3.49Å; E1373-R1377 IonicContact OE1-NH2 3.23Å; E1373-R1377 PolarHBondContact OE1-NH2 3.17Å; Q1374-R1377 PolarHBondContact O-N 3.35Å; D1375-R1377 PolarHBondContact O-N 3.4Å; D1375-R1377 VanDerWaalsContact O-N 3.13Å; R1377-M1477 PolarHBondContact NH1-SD 3.04Å
1378E42.2Very low44.6Very low119 Ų119115.1 Ų115.156%0.55663%0.629SS**SBendtrans-9811.9175-61.6-172.1177.300112.4D1375D1375-E1378 PolarHBondContact O-N 2.66Å; D1375-E1378 VanDerWaalsContact O-N 3.11Å
1379D40.1Very low43.8Very low138 Ų138116.4 Ų116.474%0.73864%0.643SS**SBendtrans-13371-176.8-173.928.7000112.4
1380M41.1Very low42.6Very low190 Ų190120.4 Ų120.494%0.93666%0.662SS**SBendtrans179.8116.7147.7-87.4-138.4-170.500113.7
1381G34.8Very low41.7Very low75 Ų75122.1 Ų122.177%0.77367%0.672SS**  trans94100.1130.700000120.2
1382D35.3Very low40.5Very low146 Ų146118.6 Ų118.678%0.78167%0.674SS**  trans-60.4160.6165.5-47.3-97.3000114.7
1383D36.7Very low39.8Very low163 Ų163121.8 Ų121.887%0.87268%0.684SS**  -171.6163.3103.5-131.3-35.3000115.8
1384A34.6Very low39Very low74 Ų74125.7 Ų125.761%0.61271%0.707SS**  trans7679.8155.400000123.4
1385I34.3Very low38.5Very low175 Ų175129 Ų12990%0.89772%0.722SS**  60.9125.8122.6-57.3150.6000120
1386G33.6Very low38.5Very low58 Ų58128.5 Ų128.560%0.59872%0.719SS**  cis159.6168.6-7.800000115.5
1387T34.9Very low38.6Very low135 Ų135124.8 Ų124.883%0.82872%0.715SS**  trans70.7143.6166.170.60000118.9
1388T34.2Very low38.9Very low119 Ų119127.3 Ų127.373%0.7373%0.733SS**  cis-178.5154.7-20.134.40000108.1
1389T33.2Very low39.5Very low112 Ų112129 Ų12969%0.68775%0.746SS**  cis-173.4147.5-21.527.80000108.2
1390T33Very low40.8Very low135 Ų135125.7 Ų125.783%0.82873%0.731SS**  trans62.6156.816154.20000118.1
1391D34.3Very low41.6Very low160 Ų160122.3 Ų122.386%0.85672%0.716SS**  cis-142.5170.39.3-158.82.5000111.2
1392G35Very low43.1Very low61 Ų61125.7 Ų125.763%0.62971%0.709SS**  trans-151.6168.3-17500000116.1
1393K40.7Very low44.7Very low189 Ų189119 Ų11982%0.82268%0.675SS**  trans-157.2111.4174.2-144.8147.1-165.6159.90116.4
1394D41.8Very low46Very low136 Ų136115.5 Ų115.573%0.72766%0.656SS**  trans52.979.3143.2-47.3-19.6000119.5
1395E44.3Very low47.5Very low191 Ų191114.7 Ų114.789%0.89365%0.649SS**  trans-68.5146.6146.6-69.6-171120.600110.1P1397E1395-P1397 WeakPolarHBondContact O-CD 3.46Å
1396I48.3Very low49.1Very low84 Ų84110.1 Ų110.143%0.43162%0.624SS.*  trans-93.3118.7180-60.2175.1000109.6I1398I1396-I1398 PolarHBondContact O-N 3.08Å
1397P49.4Very low50.4Low82 Ų82109.8 Ų109.853%0.53262%0.616SS.*  trans-66.6114.3173.5-19.533.2000110.7E1395 D1399 T1400E1395-P1397 WeakPolarHBondContact O-CD 3.46Å; P1397-D1399 PolarHBondContact O-N 3.39Å; P1397-T1400 PolarHBondContact O-OG1 3.27Å
1398I55.9Low51.4Low132 Ų132107.6 Ų107.668%0.67760%0.598SS**THydrogen-bonded Turntrans-69.4-24.6-175.9-64176.3000111.1I1396 T1400I1396-I1398 PolarHBondContact O-N 3.08Å; I1398-T1400 PolarHBondContact O-N 2.9Å; I1398-T1400 VanDerWaalsContact O-N 3.11Å
1399D54.7Low52.9Low155 Ų155103.4 Ų103.483%0.82958%0.579SS**THydrogen-bonded Turntrans-74.73.6-174.2-45.9-68.6000114.8P1397P1397-D1399 PolarHBondContact O-N 3.39Å
1400T67.4Low54.2Low68 Ų68104.1 Ų104.142%0.41757%0.573SS.*SBendtrans-103.5138.3176.4630000111.7P1397 I1398 K1402 G1403 L1404P1397-T1400 PolarHBondContact O-OG1 3.27Å; I1398-T1400 PolarHBondContact O-N 2.9Å; I1398-T1400 VanDerWaalsContact O-N 3.11Å; T1400-K1402 PolarHBondContact O-N 3.48Å; T1400-K1402 VanDerWaalsContact O-N 3.09Å; T1400-G1403 WeakPolarHBondContact O-CA 3.41Å; T1400-G1403 PolarHBondContact O-N 3.42Å; T1400-G1403 WeakPolarHBondContact OG1-CA 3.25Å; T1400-G1403 PolarHBondContact OG1-N 2.96Å; T1400-L1404 WeakPolarHBondContact O-CB 3.32Å; T1400-L1404 PolarHBondContact O-N 3.42Å
1401L57.9Low55Low118 Ų118100.7 Ų100.762%0.61855%0.551SS**Hα-helixtrans-58.6-27.5178.2-149149.5000112.1V1265 A1405V1265-L1401 HydrophobicContact CG2-CD1 4.2Å; L1401-A1405 VanDerWaalsContact O-CB 3.31Å; L1401-A1405 WeakPolarHBondContact O-CB 3.3Å; L1401-A1405 PolarHBondContact O-N 2.94Å
1402K65.1Low55.7Low146 Ų14698.8 Ų98.864%0.63554%0.54SS*.Hα-helixtrans-73.6-45.7170-174.7176.7-176.6-79.80113.1T1400 L1404 A1405 E1406T1400-K1402 PolarHBondContact O-N 3.48Å; T1400-K1402 VanDerWaalsContact O-N 3.09Å; K1402-L1404 VanDerWaalsContact C-N 3.3Å; K1402-L1404 PolarHBondContact O-N 3.16Å; K1402-A1405 PolarHBondContact O-N 3.33Å; K1402-E1406 WeakPolarHBondContact CE-OE1 3.42Å; K1402-E1406 IonicContact NZ-OE1 2.74Å; K1402-E1406 PolarHBondContact NZ-OE1 3.22Å; K1402-E1406 PolarHBondContact O-N 2.98Å
1403G69.3Low56.1Low6 Ų6103.5 Ų103.56%0.06255%0.545CS..Hα-helixtrans-59.9-41174.700000111.9T1400 E1406 A1407T1400-G1403 WeakPolarHBondContact O-CA 3.41Å; T1400-G1403 PolarHBondContact O-N 3.42Å; T1400-G1403 WeakPolarHBondContact OG1-CA 3.25Å; T1400-G1403 PolarHBondContact OG1-N 2.96Å; G1403-E1406 PolarHBondContact O-N 3.15Å; G1403-A1407 VanDerWaalsContact O-CB 3.28Å; G1403-A1407 WeakPolarHBondContact O-CB 3.23Å; G1403-A1407 PolarHBondContact O-N 3.39Å
1404L63.9Low56Low89 Ų8997.1 Ų97.147%0.46653%0.528SS..Hα-helixtrans-65.3-41.5173.9-157.5159.6000111.5T1400 K1402 A1407 L1408T1400-L1404 WeakPolarHBondContact O-CB 3.32Å; T1400-L1404 PolarHBondContact O-N 3.42Å; K1402-L1404 VanDerWaalsContact C-N 3.3Å; K1402-L1404 PolarHBondContact O-N 3.16Å; L1404-A1407 PolarHBondContact O-N 2.99Å; L1404-L1408 HydrophobicContact CD2-CD1 3.59Å; L1404-L1408 HydrophobicContact CD2-CG 4.04Å; L1404-L1408 WeakPolarHBondContact O-CB 3.38Å; L1404-L1408 WeakPolarHBondContact O-CG 3.49Å; L1404-L1408 PolarHBondContact O-N 3.35Å
1405A67.5Low55.7Low57 Ų5798.8 Ų98.847%0.47154%0.537SS..Hα-helixtrans-65.5-38.1173.700000113.4L1401 K1402 G1409L1401-A1405 VanDerWaalsContact O-CB 3.31Å; L1401-A1405 WeakPolarHBondContact O-CB 3.3Å; L1401-A1405 PolarHBondContact O-N 2.94Å; K1402-A1405 PolarHBondContact O-N 3.33Å; A1405-G1409 PolarHBondContact O-N 3Å
1406E66.7Low55.2Low80 Ų8092.8 Ų92.837%0.37453%0.527SS..Hα-helixtrans-73.3-34.6175.5-74.9-177.6-153.600112.5K1402 G1403 G1409 K1410K1402-E1406 WeakPolarHBondContact CE-OE1 3.42Å; K1402-E1406 IonicContact NZ-OE1 2.74Å; K1402-E1406 PolarHBondContact NZ-OE1 3.22Å; K1402-E1406 PolarHBondContact O-N 2.98Å; G1403-E1406 PolarHBondContact O-N 3.15Å; E1406-G1409 PolarHBondContact O-N 3.43Å; E1406-K1410 WeakPolarHBondContact O-CB 3.5Å; E1406-K1410 VanDerWaalsContact O-CG 3.32Å; E1406-K1410 WeakPolarHBondContact O-CG 3.48Å; E1406-K1410 PolarHBondContact O-N 3.36Å
1407A61.8Low54.4Low51 Ų5199.2 Ų99.242%0.42155%0.545SS..Hα-helixtrans-64-47.8170.400000110.9G1403 L1404 G1409 K1410 V1411G1403-A1407 VanDerWaalsContact O-CB 3.28Å; G1403-A1407 WeakPolarHBondContact O-CB 3.23Å; G1403-A1407 PolarHBondContact O-N 3.39Å; L1404-A1407 PolarHBondContact O-N 2.99Å; A1407-G1409 VanDerWaalsContact C-N 3.3Å; A1407-G1409 PolarHBondContact O-N 2.91Å; A1407-K1410 PolarHBondContact O-N 2.69Å; A1407-V1411 WeakPolarHBondContact O-CG2 3.27Å; A1407-V1411 PolarHBondContact O-N 2.87Å
1408L56.1Low53.6Low88 Ų88103.1 Ų103.146%0.46156%0.556SS.*Hα-helixtrans-59.7-39.3172.4-75.8175.4000111.8L1404 V1411 I1412L1404-L1408 HydrophobicContact CD2-CD1 3.59Å; L1404-L1408 HydrophobicContact CD2-CG 4.04Å; L1404-L1408 WeakPolarHBondContact O-CB 3.38Å; L1404-L1408 WeakPolarHBondContact O-CG 3.49Å; L1404-L1408 PolarHBondContact O-N 3.35Å; L1408-V1411 PolarHBondContact O-N 3.48Å; L1408-I1412 HydrophobicContact CB-CD1 4.36Å; L1408-I1412 VanDerWaalsContact O-CB 3.25Å; L1408-I1412 WeakPolarHBondContact O-CB 3.25Å; L1408-I1412 WeakPolarHBondContact O-CD1 3.45Å; L1408-I1412 WeakPolarHBondContact O-CG1 3.34Å; L1408-I1412 PolarHBondContact O-N 2.96Å
1409G64.8Low52.5Low32 Ų32103.2 Ų103.233%0.3356%0.563SS.*Hα-helixtrans-62.2-47.4174.900000113A1405 E1406 A1407 V1411 I1412 H1413A1405-G1409 PolarHBondContact O-N 3Å; E1406-G1409 PolarHBondContact O-N 3.43Å; A1407-G1409 VanDerWaalsContact C-N 3.3Å; A1407-G1409 PolarHBondContact O-N 2.91Å; G1409-V1411 VanDerWaalsContact C-N 3.31Å; G1409-V1411 PolarHBondContact O-N 3.03Å; G1409-I1412 PolarHBondContact O-N 2.97Å; G1409-H1413 PolarHBondContact O-N 3.44Å; G1409-H1413 VanDerWaalsContact O-N 3.1Å
1410K60.6Low51.5Low127 Ų127102.3 Ų102.355%0.55256%0.564SS**Hα-helixtrans-63-35.4175.9-74.2167.1-179.2168.70112.2E1406 A1407E1406-K1410 WeakPolarHBondContact O-CB 3.5Å; E1406-K1410 VanDerWaalsContact O-CG 3.32Å; E1406-K1410 WeakPolarHBondContact O-CG 3.48Å; E1406-K1410 PolarHBondContact O-N 3.36Å; A1407-K1410 PolarHBondContact O-N 2.69Å
1411V50.6Low49.8Very low62 Ų62104.5 Ų104.538%0.37658%0.579SS.*Hα-helixtrans-66.6-56.7170.9171.20000110.4K443 A1407 L1408 G1409 H1413 A1414K443-V1411 HydrophobicContact CD-CG1 4.32Å; K443-V1411 WeakPolarHBondContact CE-O 3.35Å; K443-V1411 HydrophobicContact CG-CG1 4.01Å; K443-V1411 PolarHBondContact NZ-O 2.79Å; A1407-V1411 WeakPolarHBondContact O-CG2 3.27Å; A1407-V1411 PolarHBondContact O-N 2.87Å; L1408-V1411 PolarHBondContact O-N 3.48Å; G1409-V1411 VanDerWaalsContact C-N 3.31Å; G1409-V1411 PolarHBondContact O-N 3.03Å; V1411-H1413 VanDerWaalsContact C-N 3.27Å; V1411-H1413 PolarHBondContact O-N 3.16Å; V1411-A1414 PolarHBondContact O-N 3.02Å
1412I47.4Very low48.8Very low121 Ų121107.4 Ų107.462%0.62159%0.592SS**Hα-helixtrans-64.7-25.4-169.2-71.2166.3000113.3L1408 G1409L1408-I1412 HydrophobicContact CB-CD1 4.36Å; L1408-I1412 VanDerWaalsContact O-CB 3.25Å; L1408-I1412 WeakPolarHBondContact O-CB 3.25Å; L1408-I1412 WeakPolarHBondContact O-CD1 3.45Å; L1408-I1412 WeakPolarHBondContact O-CG1 3.34Å; L1408-I1412 PolarHBondContact O-N 2.96Å; G1409-I1412 PolarHBondContact O-N 2.97Å
1413H43.4Very low47.7Very low159 Ų159105.7 Ų105.774%0.73660%0.595SS**Hα-helixtrans-101.4-2.9-178.8-82.4-71.3000117.2G1409 V1411 D1415G1409-H1413 PolarHBondContact O-N 3.44Å; G1409-H1413 VanDerWaalsContact O-N 3.1Å; V1411-H1413 VanDerWaalsContact C-N 3.27Å; V1411-H1413 PolarHBondContact O-N 3.16Å; H1413-D1415 PolarHBondContact O-N 3.23Å
1414A40.4Very low46.1Very low56 Ų56110.7 Ų110.746%0.46363%0.627SS.*  trans-79.380.4174.900000112.5K443 V1411K443-A1414 PolarHBondContact NZ-O 3.46Å; V1411-A1414 PolarHBondContact O-N 3.02Å
1415D33.8Very low44.7Very low170 Ų170113 Ų11391%0.90964%0.639SS**SBendtrans-171.980.1147.3-98.5-25.8000109H1413H1413-D1415 PolarHBondContact O-N 3.23Å
1416G34.2Very low43Very low66 Ų66118.9 Ų118.968%0.6866%0.657SS**  trans-178.5120.2-179.300000114
1417R31.2Very low41.6Very low218 Ų218120.3 Ų120.382%0.82367%0.673SS**  trans70.7149.8-165.5-57-176.8171.2114-4.3113
1418E33.8Very low40.3Very low164 Ų164125.2 Ų125.277%0.76669%0.692SS**  cis-133.8143.210.6-158.3135-114.400112.8
1419T31.7Very low39Very low134 Ų134128.1 Ų128.182%0.82271%0.707SS**  trans-89.5110.3-179.247.20000111
1420T33.6Very low37.5Very low136 Ų136133.8 Ų133.883%0.83474%0.736SS**PPolyproline II helixtrans-71.8125.9170.9-390000110
1421P33Very low36Very low115 Ų115135.2 Ų135.275%0.74775%0.75SS**PPolyproline II helixtrans-77.8136.3-176.830.1-34.3000112.2
1422M36.5Very low35.1Very low179 Ų179136.2 Ų136.288%0.88276%0.764SS**PPolyproline II helixtrans-76.5133.5163.1-90.7-177.96000110.4
1423P42.1Very low34.4Very low109 Ų109135.4 Ų135.471%0.70877%0.77SS**PPolyproline II helixtrans-77.8155.1164.533.4-33.5000111.3
1424P36Very low33.8Very low111 Ų111133.9 Ų133.972%0.72177%0.772SS**PPolyproline II helixtrans-89.7154.4-172.135.1-36.6000115.5
1425D32.7Very low33.3Very low137 Ų137139.3 Ų139.373%0.73379%0.787SS**  trans29.9112.1142.7-44.6-39.1000120.7
1426H32.9Very low33.1Very low182 Ų182138.2 Ų138.284%0.84378%0.777SS**  175.4159.995.7-106.2-85.3000111.6
1427P36.6Very low32.8Very low110 Ų110141.7 Ų141.771%0.71478%0.779SS**  trans-101.6166-177.539.5-32.3000113.4
1428D34.3Very low32.8Very low153 Ų153137.8 Ų137.882%0.81877%0.773SS**  trans-150.9164137-145.8-19.4000111.3
1429L29.5Very low32.8Very low149 Ų149135 Ų13578%0.7877%0.771SS**  trans-93.8154.7-177.3-56.499.9000112.3
1430T33.1Very low33.2Very low151 Ų151134 Ų13493%0.92677%0.767SS**  -165.4150.6125.79.60000112.2
1431D29.1Very low33.3Very low157 Ų157132.8 Ų132.884%0.8476%0.764SS**  trans-112.6141.4-178170.131.5000110.3
1432A32.7Very low33.2Very low83 Ų83134.2 Ų134.269%0.68677%0.766SS**  trans-173.3128.3159.700000115.2
1433S33.1Very low33.4Very low105 Ų105130.8 Ų130.873%0.73476%0.757SS**  trans64.593.9139.6-56.70000121.3
1434T29.6Very low32.8Very low127 Ų127132 Ų13278%0.77976%0.758SS**  21.4144.2106.8-35.60000120.1
1435Q30.7Very low32.5Very low169 Ų169132.7 Ų132.779%0.7976%0.759SS**  trans100144.7163.1-63-171.574.700117
1436Q28.3Very low32.4Very low148 Ų148133 Ų13369%0.69276%0.76SS**  cis-166.9147.5-32.5-136.7-165.725.700111.1
1437L28.1Very low32.4Very low138 Ų138128.6 Ų128.672%0.72375%0.747SS**  trans70.4164.9137.1-139.274.9000121.8
1438I32.1Very low32.1Very low137 Ų137127.3 Ų127.370%0.70374%0.737SS**  trans94.875.2157.1-41.4-159.9000120
1439S34.5Very low32Very low104 Ų104127.8 Ų127.873%0.72774%0.736SS**  70.8164.7106.9-640000122.9
1440P39.5Very low32.2Very low113 Ų113125.4 Ų125.473%0.73473%0.732SS**  cis-145.8-167.9-36.839.6-20000116.2
1441S35.8Very low32Very low111 Ų111123.2 Ų123.278%0.77672%0.722SS**  trans89.295.1141.4520000123
1442N31.4Very low32Very low145 Ų145120.4 Ų120.478%0.77572%0.721SS**  trans-51.1169.9134.3-104.39.1000112.6
1443P38.9Very low32Very low108 Ų108122.4 Ų122.470%0.70173%0.725SS**  -158.8158.854.244.4-22.1000122.2
1444D30.8Very low31.7Very low134 Ų134126.5 Ų126.572%0.71773%0.732SS**  55.2130.2129.7-61-33.7000126.8
1445V28.4Very low31.8Very low125 Ų125124.2 Ų124.276%0.75873%0.734SS**  94.2147.8125.8158.70000122.5
1446L31.4Very low31.6Very low144 Ų144122.1 Ų122.175%0.75474%0.738SS**  trans93.6132.4163.4-84.9159000122.9
1447T31.9Very low31.8Very low90 Ų90119.4 Ų119.455%0.55274%0.741SS**  trans72.7164.5142.2-83.20000121.6Y1744T1447-Y1744 WeakPolarHBondContact O-CE1 3.47Å; T1447-Y1744 PolarHBondContact O-OH 3.05Å
1448T31.6Very low31.8Very low83 Ų83118.5 Ų118.551%0.50975%0.746SS.*  -161.4144.2-65.3-34.40000111.8
1449M32Very low31.7Very low163 Ų163116.8 Ų116.880%0.80375%0.746SS**  trans71.7148.2145.1-99.2168.7-177.500125.1
1450S32.7Very low31.4Very low98 Ų98116.9 Ų116.969%0.68574%0.742SS**  trans80.394.6141.6-630000125.2
1451S30.3Very low31Very low105 Ų105119.3 Ų119.373%0.73475%0.746SS**  41.9122.6112.667.40000124.8
1452A29.1Very low30.8Very low98 Ų98121.2 Ų121.281%0.8175%0.746SS**  80.6170.4122.100000123.3
1453V31.3Very low30.9Very low126 Ų126121.8 Ų121.876%0.76474%0.744SS**  trans97.4103.2166-167.80000118.9
1454E27.4Very low30.6Very low190 Ų190123.1 Ų123.189%0.88875%0.745SS**  trans23.4141.2133.7-51.6178.8145.700122.8
1455G31.8Very low30.8Very low79 Ų79123.5 Ų123.581%0.81475%0.746SS**  trans-175.8118.6162.600000112.5
1456S27.2Very low31Very low126 Ų126124.6 Ų124.688%0.88175%0.747SS**  trans-119.2179.9-176-63.90000113.1
1457A31.2Very low31.1Very low90 Ų90122.1 Ų122.174%0.74475%0.747SS**  trans78120.1-176.500000114.3
1458S27.6Very low31.1Very low120 Ų120122.2 Ų122.284%0.83975%0.752SS**  cis81.311949.4-610000113.6
1459S31Very low31.1Very low101 Ų101123.7 Ų123.771%0.70676%0.761SS**  169.7131.999-154.50000115
1460T28.8Very low31.1Very low105 Ų105121 Ų12164%0.64476%0.758SS**  trans43.9121.7139.6570000124.5
1461M29.9Very low30.8Very low165 Ų165120.1 Ų120.181%0.81376%0.757SS**  67.5139.9120.4-62.4173.8172.800123.2
1462I32.3Very low30.9Very low151 Ų151122 Ų12277%0.77476%0.764SS**  trans163.9100.8136.7-86.5158000104.3
1463E33.1Very low30.8Very low157 Ų157124.8 Ų124.873%0.73477%0.765SS**  93.1134.871-87.3178.4157.100114.1
1464D33Very low30.7Very low136 Ų136122.2 Ų122.273%0.72776%0.757SS**  trans96.1145.7136.7-83.19.8000126.7
1465I34Very low30.8Very low142 Ų142117.8 Ų117.873%0.72875%0.747SS**  trans86.381.3155.1-66.8151.4000119.4
1466D32.9Very low30.8Very low148 Ų148120 Ų12079%0.79174%0.737SS**  73.8143.7112.6-77.4-37.8000126.2
1467A33.7Very low31Very low91 Ų91120.9 Ų120.975%0.75273%0.73SS**  trans70.3148.1141.400000121.4
1468S32.6Very low31Very low93 Ų93123.5 Ų123.565%0.6573%0.731SS**  cis-167.7-179.2-23.659.10000109.8
1469T31.6Very low31.2Very low114 Ų114120.7 Ų120.770%0.69971%0.711SS**  trans57.6101.9152.843.30000117.6
1470S30.9Very low31.5Very low107 Ų107123.7 Ų123.775%0.74872%0.716SS**  65137.389.374.30000113.7
1471A28Very low32Very low79 Ų79123.6 Ų123.665%0.65372%0.717SS**  cis174-168.22.600000103.8
1472V30.6Very low32.4Very low145 Ų145121.4 Ų121.488%0.87972%0.715SS**  trans57.2140.7176.3-59.60000115
1473D27Very low32.3Very low155 Ų155117.9 Ų117.983%0.82972%0.716SS**  cis174.5-171-5.4-178.710.6000103
1474A30Very low32.2Very low72 Ų72115 Ų11560%0.59572%0.719SS**  trans69.2106.6155.100000120.4
1475S29.3Very low32.2Very low97 Ų97116.7 Ų116.768%0.67872%0.723SS**  73.8122.7120.867.60000123.7
1476M31.3Very low32Very low125 Ų125116.8 Ų116.862%0.61673%0.725SS**  73.595.7127.2-61.8177.6-170.100121.9
1477M31.8Very low31.9Very low146 Ų146114.2 Ų114.272%0.71972%0.718SS**  37.2115.3114.6-81.9-179.615300122.4R1377R1377-M1477 PolarHBondContact NH1-SD 3.04Å
1478N32.6Very low31.7Very low144 Ų144115.8 Ų115.877%0.7772%0.719SS**  80.9155.6105.7-141.367000122.7
1479S31.5Very low31.5Very low62 Ų62117.2 Ų117.243%0.43472%0.72SS.*  trans100113.1149.8-61.50000122.4
1480M37.1Very low31.4Very low164 Ų164121 Ų12181%0.80873%0.729SS**  trans68.7-177.1134.3-101.2-177.1-176.800119.7
1481P38Very low31.2Very low103 Ų103122.7 Ų122.767%0.66973%0.728SS**  cis-136.1-148.219.851.2-30.4000115.5
1482P39.5Very low31.7Very low118 Ų118124.3 Ų124.377%0.76673%0.732SS**  -142.7-170.2-121.838.7-12.4000119
1483G30.6Very low31.5Very low77 Ų77121.9 Ų121.979%0.79473%0.727SS**  trans96.8160157.100000118.3
1484A30.4Very low31.5Very low97 Ų97118.7 Ų118.780%0.80272%0.722SS**  cis-169175.9-9.300000112.6
1485Q32.6Very low31.5Very low171 Ų171123 Ų12380%0.79973%0.732SS**  trans108.3120.4156.2-56.4-167.913.600121.8
1486N30.5Very low31.4Very low144 Ų144124.4 Ų124.477%0.7774%0.737SS**  trans62.9146.2138.3-68.9-12.4000123.1
1487S30.6Very low31.3Very low94 Ų94126 Ų12666%0.65775%0.747SS**  cis-173.6152.8-13.852.90000114.8
1488T29.6Very low31.3Very low125 Ų125123.8 Ų123.877%0.76775%0.746SS**  trans90.2136.3150.2-43.50000120.7
1489D27.7Very low31.3Very low123 Ų123125.1 Ų125.166%0.65875%0.75SS**  trans-89.9163.1-174.1-32.8-115.1000115.5
1490Q28.8Very low31.4Very low192 Ų192129.6 Ų129.690%0.89777%0.769SS**  -166.1167.3107.5-108.216598.300114.8
1491I28.2Very low31.2Very low144 Ų144130 Ų13074%0.73877%0.768SS**  trans-125.4-149.6-155.2-31.3-178.7000111.5
1492P37.9Very low30.9Very low112 Ų112132.2 Ų132.273%0.72777%0.77SS**  -125.7-153.4-12644.6-25.7000115.5
1493A26.9Very low30.4Very low94 Ų94131.6 Ų131.678%0.77777%0.767SS**  trans79155.6150.300000118.7
1494A26.9Very low30.4Very low88 Ų88131.7 Ų131.773%0.72776%0.76SS**  cis-169-170.9-22.900000110.5
1495M29.6Very low30.3Very low162 Ų162135.7 Ų135.780%0.79876%0.763SS**  trans108132.3151.7-61.2-164.3168.200120R824R824-M1495 PolarHBondContact NH2-O 3.13Å
1496T27.5Very low30.1Very low127 Ų127132 Ų13278%0.77976%0.755SS**  trans-122.4-171.4-166.4-46.80000108.3
1497L29.3Very low30Very low160 Ų160133.6 Ų133.684%0.83876%0.761SS**  trans79.4150.8167-52.4175.7000116.4
1498S31.3Very low29.8Very low98 Ų98135.2 Ų135.269%0.68577%0.766SS**  cis-171178.4-28.4-162.50000110.4
1499M32.9Very low29.8Very low173 Ų173133.7 Ų133.785%0.85276%0.761SS**  trans91.2146.7159.9-59179.470.600119.6
1500D33.9Very low29.8Very low156 Ų156133.1 Ų133.183%0.83477%0.767SS**  trans-131.6-158.1-155.5-60.2-91.6000112.7
1501Q32.9Very low29.9Very low171 Ų171130.8 Ų130.880%0.79976%0.759SS**  trans82.8134.1163.6-148168.8-4.900114.8
1502E31.6Very low29.9Very low151 Ų151129 Ų12971%0.70676%0.755SS**  cis-151.4-176.52.1-134.1177.6-99.200108.3
1503C29.3Very low29.6Very low105 Ų105134 Ų13471%0.70976%0.759SS**  cis-155.6-165.78.6-162.10000110.4
1504A29.9Very low29.9Very low78 Ų78136.3 Ų136.365%0.64576%0.758SS**  trans-131.8157-174.900000115.2
1505Q28Very low30.2Very low182 Ų182137.5 Ų137.585%0.8576%0.757SS**  trans-177.1139.5154.7-108.7154.793.500116
1506S28.5Very low30.4Very low93 Ų93136.3 Ų136.365%0.6576%0.759SS**  trans65.6151.8149.5-62.30000120.9
1507M28.1Very low30.8Very low178 Ų178133.7 Ų133.788%0.87776%0.758SS**  cis-160.5178.5-13.2-111.1-179.6-162.300111.4
1508T27Very low30.7Very low127 Ų127132.4 Ų132.478%0.77976%0.756SS**  trans-76.4168.9-177.756.50000113.7
1509S28.8Very low30.6Very low93 Ų93136.5 Ų136.565%0.6576%0.762SS**  cis-177.2158.344.5-33.70000113.3
1510S29.3Very low30.5Very low112 Ų112136.2 Ų136.278%0.78376%0.763SS**  trans66.3154.2146-59.50000120.1
1511I29.5Very low30.2Very low143 Ų143132.9 Ų132.973%0.73376%0.757SS**  cis-158.5148.4-2.9-124.5174000114.1
1512T28.8Very low29.8Very low107 Ų107129.6 Ų129.666%0.65675%0.749SS**  trans48.5120.9158.7650000126.7
1513R32.4Very low29.7Very low216 Ų216129.5 Ų129.582%0.81575%0.746SS**  91.4128.5120-80.6-178.8174.3158.40.6124.5
1514N31.5Very low29.7Very low142 Ų142131.6 Ų131.676%0.75975%0.746SS**  trans76.1140.8143.3-67.617.2000118.7
1515T35.1Very low29.6Very low113 Ų113133.2 Ų133.269%0.69374%0.744SS**  cis-162166.2-2.9173.60000111.8
1516T33Very low29.7Very low137 Ų137131.3 Ų131.384%0.8474%0.739SS**  trans66121.1165.328.10000118
1517G35.1Very low30Very low73 Ų73135.7 Ų135.775%0.75375%0.749SS**  cis-152.7145-2.800000112.1
1518T27.6Very low30.1Very low132 Ų132133 Ų13381%0.8174%0.743SS**  trans-135.8155.3-158.743.90000114.4
1519K28.6Very low30.3Very low184 Ų184130.6 Ų130.680%0.874%0.735SS**  trans14.2128.9131.7-58.1-179.1-179.3-178.40117.1
1520L31.1Very low30.4Very low167 Ų167133 Ų13387%0.87474%0.74SS**  74.5139.478.4-140.6170.3000111.7
1521A27.4Very low30.2Very low86 Ų86132.5 Ų132.571%0.71174%0.737SS**  trans74.8152.9-155.400000112.5
1522T25.5Very low30.1Very low103 Ų103131.3 Ų131.363%0.63274%0.741SS**  cis-145.8142.811.2-42.70000110.3
1523F30.1Very low30.1Very low149 Ų149132.3 Ų132.365%0.65475%0.747SS**  trans-164.190.3147.4-115.3-73.6000111.2
1524E27.8Very low29.9Very low149 Ų149130 Ų13070%0.69675%0.75SS**  trans-71178.5158.5-66.7155.7115.700110.2
1525N29Very low29.7Very low112 Ų112126.8 Ų126.860%0.59975%0.75SS**  trans80.531-176.9-54.34.4000117.2
1526L30.3Very low29.4Very low142 Ų142128.4 Ų128.474%0.74376%0.76SS**  trans-92.3-0.5167-146127.3000114
1527E33.4Very low29.4Very low185 Ų185130 Ų13086%0.86476%0.758SS**SBendtrans-91.8-16.1-176.1-157.4151.1-132.900113.5
1528T31.6Very low29.1Very low122 Ų122133.9 Ų133.975%0.74876%0.759SS**SBendtrans-96.3-7.1-179.1-26.90000113.8
1529A29.7Very low29Very low75 Ų75139 Ų13962%0.6276%0.763SS**SBendtrans-99.25.7-166.600000115.3
1530L31.3Very low29.3Very low145 Ų145138.1 Ų138.176%0.75976%0.763SS**SBendtrans-126.834.4-172.2-66175.2000113.4
1531S26.6Very low29.4Very low101 Ų101135.9 Ų135.971%0.70676%0.758SS**  trans-150.9144.5171.9-78.30000111.6
1532S27.2Very low29.4Very low117 Ų117139.1 Ų139.182%0.81876%0.763SS**  trans65.9146.7-160.282.30000113.5
1533T28.6Very low29.7Very low128 Ų128138.7 Ų138.779%0.78577%0.77SS**  cis-138.5156.216.3-67.90000112.7
1534L27.3Very low29.9Very low169 Ų169138 Ų13889%0.88578%0.78SS**  trans-93150.5177-91.266.6000113.6
1535G27.6Very low30Very low73 Ų73136.4 Ų136.475%0.75379%0.786SS**  trans85.5165.3159.800000116.4
1536T29.1Very low30.1Very low147 Ų147136.5 Ų136.590%0.90280%0.795SS**  cis-147.2175.7351.70000112.4
1537H32.8Very low30.1Very low172 Ų172139.7 Ų139.780%0.79680%0.798SS**  trans-66168.9177.8-82.4-94.6000113.9
1538I28Very low30.1Very low153 Ų153137.3 Ų137.379%0.78579%0.791SS**  -176.7138.286.9-91.2173.9000114.5
1539R26.7Very low30.1Very low239 Ų239138.4 Ų138.490%0.90279%0.787SS**  trans61.3135.1154.3-82.3177.3175.3-177.4-2.6124.9
1540Q33.3Very low30.1Very low167 Ų167140 Ų14078%0.7879%0.789SS**  trans-85179.1148.9-63.3179.3-24.500111.3
1541P34.2Very low30.2Very low120 Ų120139.6 Ų139.678%0.77979%0.793SS**  -148.7143.499.737.5-21.1000118
1542N27Very low30.4Very low154 Ų154138.8 Ų138.882%0.82479%0.793SS**  trans49.9150.2144.5-64.72.5000124.6
1543A31.5Very low31.1Very low93 Ų93138.7 Ų138.777%0.76979%0.789SS**  trans-99.6-171.1171.700000111.7
1544P34.2Very low31.4Very low134 Ų134141.3 Ų141.387%0.8780%0.795SS**  -147.2-153.86641.5-19.9000114.6
1545S30.7Very low31.7Very low117 Ų117139.2 Ų139.282%0.81879%0.789SS**  trans-135.8143.6-169.161.40000116.3
1546S30.5Very low32.1Very low114 Ų114142 Ų14280%0.79779%0.794SS**  trans-162.5131.4157.248.50000107.5
1547R30.7Very low32.2Very low209 Ų209139.9 Ų139.979%0.78979%0.785SS**  cis80.3110.249.1-173.7-173.2167.9139.75113.2
1548D34.3Very low32.2Very low134 Ų134141.2 Ų141.272%0.71779%0.789SS**  trans-178.8138.3133-83.8-15.6000107.2
1549E30.4Very low32.4Very low146 Ų146139.1 Ų139.168%0.68278%0.784SS**  72.2135.772.3-102.5-155.88300114
1550T30Very low32.5Very low108 Ų108133.5 Ų133.566%0.66377%0.772SS**  cis-157176.94.9-28.10000110.6
1551T32.7Very low32.5Very low137 Ų137132.4 Ų132.484%0.8477%0.766SS**  trans109.2143152.1-42.10000118.6
1552A32.1Very low32.3Very low84 Ų84135.7 Ų135.769%0.69476%0.763SS**  trans-139.7-156.1179.800000108.1
1553P40.5Very low32.5Very low114 Ų114135.8 Ų135.874%0.7476%0.762SS**  cis-132-171.7-17.741.2-23.5000113.2
1554M34.9Very low32.4Very low183 Ų183134.9 Ų134.990%0.90176%0.761SS**  168.2158.3126.2-92.6-169.9142.100113.9
1555T34.3Very low32.3Very low126 Ų126132.6 Ų132.677%0.77376%0.762SS**  trans-133.6165.9-176.754.20000110.9
1556P36.6Very low32.2Very low130 Ų130129.7 Ų129.784%0.84475%0.751SS**  -145.7177.8105.237.7-21.9000115.5
1557S30.5Very low32.2Very low104 Ų104126.9 Ų126.973%0.72774%0.74SS**  trans-115166.7-170.9-42.90000113.6
1558F33.5Very low32.1Very low199 Ų199119.3 Ų119.387%0.87373%0.727SS**  trans-143117.2149.4-95.6-77.4000112.7
1559T32.7Very low32Very low110 Ų110115.8 Ų115.868%0.67572%0.722SS**  trans25.7125.614255.30000120.9
1560N28.6Very low32Very low121 Ų121112.4 Ų112.465%0.64773%0.727SS**  69.111965.5-165.253.7000111.7
1561E33.5Very low32.2Very low144 Ų144110.7 Ų110.767%0.67372%0.724SS**  -155.6-172.564.3-74.3-99.199.800111.5
1562R29.1Very low32.2Very low189 Ų189111.5 Ų111.571%0.71373%0.728SS**  -178.2153.7-53.5-153.6-171.8-140-150.22.6109.6
1563I30.9Very low32.3Very low156 Ų156112.5 Ų112.580%0.873%0.73SS**  trans69.5141.4168.1-44.1174.8000115.1
1564G30.4Very low31.9Very low73 Ų73116.1 Ų116.175%0.75374%0.735SS**  cis144.3140.8-10.800000114.2
1565G31.1Very low31.8Very low86 Ų86112.7 Ų112.789%0.88773%0.729SS**  trans111.7146169.800000115.8
1566G29.3Very low31.5Very low56 Ų56114.5 Ų114.558%0.57773%0.732SS**  trans-101.8169.5168.500000111.9A79A79-G1566 VanDerWaalsContact CB-C 3.45Å; A79-G1566 VanDerWaalsContact CB-O 3.3Å; A79-G1566 WeakPolarHBondContact CB-O 3.16Å
1567G29.9Very low31.2Very low55 Ų55111.6 Ų111.657%0.56773%0.726SS**  trans-117.8-117.1-179.300000111.6S78S78-G1567 CarbonylContact C-O 3.57Å; S78-G1567 VanDerWaalsContact C-O 3.23Å; S78-G1567 PolarHBondContact N-O 3.24Å; S78-G1567 PolarHBondContact OG-N 3.13Å; S78-G1567 PolarHBondContact OG-O 3.07Å
1568G29.9Very low31.3Very low51 Ų51113 Ų11353%0.52673%0.731SS.*  trans137.9150.6163.900000117.1S77 S78S77-G1568 CarbonylContact O-C 3.58Å; S77-G1568 VanDerWaalsContact O-CA 3.29Å; S77-G1568 WeakPolarHBondContact O-CA 3.35Å; S78-G1568 VanDerWaalsContact N-CA 3.29Å
1569G31.2Very low31.7Very low59 Ų59109 Ų10961%0.60872%0.724SS**  trans80.6123.7153.500000118.4L76 S77L76-G1569 WeakPolarHBondContact O-CA 3.38Å; L76-G1569 PolarHBondContact O-N 2.92Å; S77-G1569 PolarHBondContact O-N 2.9Å; S77-G1569 VanDerWaalsContact O-N 3.14Å
1570G30.8Very low31.8Very low76 Ų76110 Ų11078%0.78473%0.733SS**  trans130.9125.9155.200000115.5
1571A33.5Very low31.9Very low72 Ų72108.8 Ų108.860%0.59573%0.734SS**  trans-132.3153.7174.800000111.2
1572T33.4Very low31.9Very low153 Ų153110.5 Ų110.594%0.93974%0.742SS**  trans-137.7161168.248.70000110.2
1573S34Very low31.9Very low105 Ų105106.4 Ų106.473%0.73474%0.742SS**  trans-120.8-161.4-155.2-162.10000114.3
1574F31.2Very low32Very low190 Ų190104.5 Ų104.583%0.83374%0.74SS**  trans90.3135176.9-52.2-65000116
1575S33Very low31.9Very low112 Ų112110.6 Ų110.678%0.78375%0.746SS**  cis-153.31741-116.80000113.6
1576I29.6Very low32Very low163 Ų163112.2 Ų112.284%0.83674%0.741SS**  trans-104.8152.7-168-68.8168.5000113.3
1577G30.3Very low31.9Very low70 Ų70116.5 Ų116.572%0.72276%0.755SS**  trans-150.7149.8162.600000112.5
1578T31.2Very low31.9Very low134 Ų134118.8 Ų118.882%0.82276%0.763SS**  trans-145.6166.9-175.917.10000111.9
1579P42.8Very low31.9Very low113 Ų113125.4 Ų125.473%0.73478%0.78SS**  trans-108.5176.6-149.842.1-39.5000116.4
1580P34.3Very low31.8Very low132 Ų132127.9 Ų127.986%0.85779%0.786SS**  trans-123.5176.3152.438.7-26.7000113.7
1581S29.8Very low31.8Very low95 Ų95132 Ų13266%0.66479%0.79SS**  trans-118.4149.4-171510000114
1582H33.6Very low31.7Very low181 Ų181139.1 Ų139.184%0.83880%0.803SS**  175.3169.1124.9-96.3-72000113.3
1583S30.3Very low31.7Very low102 Ų102138.3 Ų138.371%0.71379%0.794SS**  trans-76.1170.8-173.5470000114.9
1584P33.3Very low31.8Very low117 Ų117140.6 Ų140.676%0.7680%0.797SS**  cis-136.3-172.221.342.7-23.4000117.4
1585F26.8Very low32Very low200 Ų200140.2 Ų140.288%0.87780%0.795SS**  trans-62.2145.9179.1-71.1-94.1000114.4
1586P33.1Very low32.2Very low121 Ų121138.3 Ų138.379%0.78679%0.792SS**  trans-117.6145.9134.935.4-28.9000111.6
1587V27.7Very low32.5Very low145 Ų145139.6 Ų139.688%0.87980%0.795SS**  trans-89.5130162.6-81.40000109.1
1588S30.5Very low33.1Very low104 Ų104141.5 Ų141.573%0.72779%0.786SS**  trans-155.8136.9161.7-163.90000109.9
1589E30.4Very low33.5Very low190 Ų190143.1 Ų143.189%0.88879%0.79SS**  trans-70.4138.1154.9-62.6170.812000107.7
1590C29.3Very low34.1Very low110 Ų110140.3 Ų140.374%0.74377%0.769SS**  trans-158.5147.9168.3-92.80000109.5
1591D29.3Very low34.3Very low162 Ų162143.8 Ų143.887%0.86677%0.773SS**  trans-67.5145.3-175.3-59.2-92.7000114.1D1593D1591-D1593 PolarHBondContact O-N 2.76Å
1592Y32.3Very low35.1Very low222 Ų222144.6 Ų144.687%0.87178%0.779SS**  trans-82.3104.6164.9-90.2-90.2000109.8L1594Y1592-L1594 VanDerWaalsContact O-CD1 3.25Å; Y1592-L1594 WeakPolarHBondContact O-CD1 3.2Å; Y1592-L1594 PolarHBondContact O-N 3.04Å
1593D32.2Very low35.8Very low137 Ų137140.1 Ų140.173%0.73376%0.759SS**  trans-66.2114.8175.3-174.27.8000111.5D1591 K1595D1591-D1593 PolarHBondContact O-N 2.76Å; D1593-K1595 PolarHBondContact O-N 2.98Å
1594L38Very low37.8Very low152 Ų152139.6 Ų139.680%0.79675%0.748SS**SBendtrans-7862.9179.1-93.170.6000111.2Y1592Y1592-L1594 VanDerWaalsContact O-CD1 3.25Å; Y1592-L1594 WeakPolarHBondContact O-CD1 3.2Å; Y1592-L1594 PolarHBondContact O-N 3.04Å
1595K33.9Very low39.6Very low183 Ų183138.3 Ų138.380%0.79674%0.739SS**  trans-140.421.7-176.7-140.271.7-177.11760117D1593D1593-K1595 PolarHBondContact O-N 2.98Å
1596G36.9Very low41.5Very low71 Ų71136 Ų13673%0.73273%0.731SS**SBendtrans-132.5-6.7-176.100000118.5
1597Q36.2Very low42.8Very low190 Ų190132.9 Ų132.989%0.88871%0.71SS**SBendtrans-148.188.3-175.4-71.4-172.6-19.100112.9
1598M43.8Very low44.7Very low110 Ų110128.6 Ų128.654%0.54268%0.681SS.*  trans-178.787.6152.9-100.6153.577.500108.3L1600M1598-L1600 VanDerWaalsContact C-N 3.29Å; M1598-L1600 HydrophobicContact CB-CD1 4.09Å; M1598-L1600 HydrophobicContact CB-CG 4.29Å; M1598-L1600 HydrophobicContact CE-CD1 3.47Å; M1598-L1600 VanDerWaalsContact CE-CD1 3.47Å; M1598-L1600 HydrophobicContact CG-CD1 3.84Å; M1598-L1600 HydrophobicContact CG-CG 4.39Å; M1598-L1600 PolarHBondContact O-N 3.11Å; M1598-L1600 HydrophobicContact SD-CD1 4.48Å
1599D39.3Very low46.7Very low168 Ų168130.1 Ų130.190%0.89868%0.677SS**  trans-71.689.7164.9-80.9-30.6000108.2
1600L54.5Low48.8Very low55 Ų55126.8 Ų126.829%0.28866%0.663SS.*  trans-129.155-179.8-69.9175.5000110.5M1598 S1602 E1603M1598-L1600 VanDerWaalsContact C-N 3.29Å; M1598-L1600 HydrophobicContact CB-CD1 4.09Å; M1598-L1600 HydrophobicContact CB-CG 4.29Å; M1598-L1600 HydrophobicContact CE-CD1 3.47Å; M1598-L1600 VanDerWaalsContact CE-CD1 3.47Å; M1598-L1600 HydrophobicContact CG-CD1 3.84Å; M1598-L1600 HydrophobicContact CG-CG 4.39Å; M1598-L1600 PolarHBondContact O-N 3.11Å; M1598-L1600 HydrophobicContact SD-CD1 4.48Å; L1600-S1602 PolarHBondContact O-N 2.73Å; L1600-S1602 VanDerWaalsContact O-N 3.09Å; L1600-E1603 HydrophobicContact CD2-CG 4.09Å
1601E40.2Very low50.8Low205 Ų205124.5 Ų124.596%0.95864%0.643SS**THydrogen-bonded Turntrans-73.614.2172.1-59.8-161128.800113.3
1602S45.5Very low53.1Low112 Ų112121.1 Ų121.178%0.78363%0.627SS**THydrogen-bonded Turntrans-139.78.3-174.167.80000115.7L1600L1600-S1602 PolarHBondContact O-N 2.73Å; L1600-S1602 VanDerWaalsContact O-N 3.09Å
1603E49.1Very low55.4Low87 Ų87118.3 Ų118.341%0.40762%0.615SS.*SBendtrans-106.2153.3176.8-77.8-167.8165.400113L1600 I1608L1600-E1603 HydrophobicContact CD2-CG 4.09Å; E1603-I1608 HydrophobicContact CB-CD1 4.28Å; E1603-I1608 HydrophobicContact CB-CG1 4.32Å
1604D72.4Confident57.8Low90 Ų90116.7 Ų116.748%0.48160%0.603SS.*  trans-67.6131.1-177.3-168.2-53.3000111.3E1606 V1607 I1608D1604-E1606 PolarHBondContact O-N 2.98Å; D1604-E1606 VanDerWaalsContact O-N 3.13Å; D1604-E1606 VanDerWaalsContact OD1-CB 3.31Å; D1604-E1606 WeakPolarHBondContact OD1-CB 3.25Å; D1604-E1606 PolarHBondContact OD1-N 2.91Å; D1604-V1607 HydrophobicContact CB-CB 4.25Å; D1604-V1607 HydrophobicContact CB-CG2 4Å; D1604-V1607 WeakPolarHBondContact O-CB 3.4Å; D1604-V1607 PolarHBondContact O-N 2.66Å; D1604-I1608 PolarHBondContact O-N 3.24Å
1605P71.2Confident59.6Low90 Ų90117.2 Ų117.258%0.58460%0.595SS**Hα-helixtrans-59.5-22.6178.225.3-36000114.2Q1609P1605-Q1609 WeakPolarHBondContact O-CB 3.42Å; P1605-Q1609 WeakPolarHBondContact O-CG 3.49Å; P1605-Q1609 PolarHBondContact O-N 3.4Å; P1605-Q1609 VanDerWaalsContact O-N 3.08Å; P1605-Q1609 PolarHBondContact O-NE2 3.13Å
1606E66.7Low61.8Low152 Ų152114.6 Ų114.671%0.7159%0.587SS**Hα-helixtrans-76.8-36.2174.7-162.7161.1-111.500111.5D1604 Q1609 M1610D1604-E1606 PolarHBondContact O-N 2.98Å; D1604-E1606 VanDerWaalsContact O-N 3.13Å; D1604-E1606 VanDerWaalsContact OD1-CB 3.31Å; D1604-E1606 WeakPolarHBondContact OD1-CB 3.25Å; D1604-E1606 PolarHBondContact OD1-N 2.91Å; E1606-Q1609 PolarHBondContact O-N 3.47Å; E1606-M1610 WeakPolarHBondContact O-CB 3.03Å; E1606-M1610 PolarHBondContact O-N 3.29Å
1607V60.2Low64.1Low56 Ų56116.1 Ų116.134%0.33958%0.575SS.*Hα-helixtrans-66.8-43.9171.41740000110.9D1604 Q1609 M1610 I1611D1604-V1607 HydrophobicContact CB-CB 4.25Å; D1604-V1607 HydrophobicContact CB-CG2 4Å; D1604-V1607 WeakPolarHBondContact O-CB 3.4Å; D1604-V1607 PolarHBondContact O-N 2.66Å; V1607-Q1609 VanDerWaalsContact C-N 3.33Å; V1607-Q1609 PolarHBondContact O-N 3.09Å; V1607-M1610 HydrophobicContact CG2-CE 4.45Å; V1607-M1610 WeakPolarHBondContact O-CB 3.18Å; V1607-M1610 PolarHBondContact O-N 3.37Å; V1607-M1610 VanDerWaalsContact O-N 3.13Å; V1607-I1611 HydrophobicContact CG1-CD1 3.91Å; V1607-I1611 HydrophobicContact CG1-CG1 4.48Å; V1607-I1611 WeakPolarHBondContact O-CG1 3.45Å; V1607-I1611 PolarHBondContact O-N 3.48Å
1608I66.1Low66Low54 Ų54111.2 Ų111.228%0.27755%0.552SS.*Hα-helixtrans-60.7-43.3175.7-64.6171.7000110.5E1603 D1604 M1610 I1611 V1612E1603-I1608 HydrophobicContact CB-CD1 4.28Å; E1603-I1608 HydrophobicContact CB-CG1 4.32Å; D1604-I1608 PolarHBondContact O-N 3.24Å; I1608-M1610 PolarHBondContact O-N 2.99Å; I1608-I1611 PolarHBondContact O-N 2.92Å; I1608-V1612 WeakPolarHBondContact O-CG2 3.33Å; I1608-V1612 PolarHBondContact O-N 2.88Å
1609Q73.4Confident67.8Low137 Ų137112.1 Ų112.164%0.6456%0.555SS**Hα-helixtrans-62.6-39.4173.7-80.6179.37100112.8P1605 E1606 V1607 V1612 R1613P1605-Q1609 WeakPolarHBondContact O-CB 3.42Å; P1605-Q1609 WeakPolarHBondContact O-CG 3.49Å; P1605-Q1609 PolarHBondContact O-N 3.4Å; P1605-Q1609 VanDerWaalsContact O-N 3.08Å; P1605-Q1609 PolarHBondContact O-NE2 3.13Å; E1606-Q1609 PolarHBondContact O-N 3.47Å; V1607-Q1609 VanDerWaalsContact C-N 3.33Å; V1607-Q1609 PolarHBondContact O-N 3.09Å; Q1609-V1612 PolarHBondContact O-N 3.02Å; Q1609-R1613 VanDerWaalsContact O-CB 3.25Å; Q1609-R1613 WeakPolarHBondContact O-CB 3.43Å; Q1609-R1613 PolarHBondContact O-N 3.43Å
1610M74.2Confident70Confident120 Ų120111.9 Ų111.959%0.59155%0.546SS*.Hα-helixtrans-64.4-42176.1179.2166.35300112.2E1606 V1607 I1608 R1613 H1614E1606-M1610 WeakPolarHBondContact O-CB 3.03Å; E1606-M1610 PolarHBondContact O-N 3.29Å; V1607-M1610 HydrophobicContact CG2-CE 4.45Å; V1607-M1610 WeakPolarHBondContact O-CB 3.18Å; V1607-M1610 PolarHBondContact O-N 3.37Å; V1607-M1610 VanDerWaalsContact O-N 3.13Å; I1608-M1610 PolarHBondContact O-N 2.99Å; M1610-R1613 PolarHBondContact O-N 3.43Å; M1610-H1614 WeakPolarHBondContact O-CB 3.43Å; M1610-H1614 PolarHBondContact O-N 3.08Å
1611I70.8Confident71.3Confident62 Ų62113.6 Ų113.632%0.31856%0.555SS.*Hα-helixtrans-64.4-45.3175.9-68166.8000111V1607 I1608 H1614 R1615V1607-I1611 HydrophobicContact CG1-CD1 3.91Å; V1607-I1611 HydrophobicContact CG1-CG1 4.48Å; V1607-I1611 WeakPolarHBondContact O-CG1 3.45Å; V1607-I1611 PolarHBondContact O-N 3.48Å; I1608-I1611 PolarHBondContact O-N 2.92Å; I1611-H1614 PolarHBondContact O-N 2.99Å; I1611-R1615 PolarHBondContact O-N 2.9Å
1612V77.5Confident73.2Confident90 Ų90109 Ų10955%0.54554%0.536SS..Hα-helixtrans-61.5-44.5176169.20000110.9I1608 Q1609 R1615 M1616I1608-V1612 WeakPolarHBondContact O-CG2 3.33Å; I1608-V1612 PolarHBondContact O-N 2.88Å; Q1609-V1612 PolarHBondContact O-N 3.02Å; V1612-R1615 PolarHBondContact O-N 3.13Å; V1612-M1616 WeakPolarHBondContact O-CB 3.5Å; V1612-M1616 PolarHBondContact O-N 2.92Å
1613R82Confident75Confident163 Ų163107 Ų10762%0.61551%0.514SS*.Hα-helixtrans-59-48.5175.9-170.1-172.3-155.3116.71.7111.6Q1609 M1610 M1616 E1617Q1609-R1613 VanDerWaalsContact O-CB 3.25Å; Q1609-R1613 WeakPolarHBondContact O-CB 3.43Å; Q1609-R1613 PolarHBondContact O-N 3.43Å; M1610-R1613 PolarHBondContact O-N 3.43Å; R1613-M1616 PolarHBondContact O-N 2.67Å; R1613-E1617 WeakPolarHBondContact CG-OE1 3.42Å; R1613-E1617 IonicContact NE-OE1 2.66Å; R1613-E1617 WeakPolarHBondContact O-CG 3.28Å; R1613-E1617 PolarHBondContact O-N 2.87Å
1614H82Confident76.8Confident104 Ų104110.3 Ų110.348%0.48153%0.527SS..Hα-helixtrans-64.4-42.9-179.6-168.675.1000112.1M1610 I1611 M1616 E1617 Q1618M1610-H1614 WeakPolarHBondContact O-CB 3.43Å; M1610-H1614 PolarHBondContact O-N 3.08Å; I1611-H1614 PolarHBondContact O-N 2.99Å; H1614-M1616 VanDerWaalsContact C-N 3.32Å; H1614-M1616 PolarHBondContact O-N 2.9Å; H1614-E1617 PolarHBondContact O-N 3.15Å; H1614-Q1618 PolarHBondContact NE2-NE2 3.5Å; H1614-Q1618 VanDerWaalsContact O-CG 3.28Å; H1614-Q1618 WeakPolarHBondContact O-CG 3.33Å; H1614-Q1618 PolarHBondContact O-N 2.91Å
1615R74.9Confident77.3Confident163 Ų163111.2 Ų111.262%0.61553%0.528SS*.Hα-helixtrans-59.5-41.7172.9-82-172.5175.61692.4112.2I1611 V1612 Q1618 H1619I1611-R1615 PolarHBondContact O-N 2.9Å; V1612-R1615 PolarHBondContact O-N 3.13Å; R1615-Q1618 PolarHBondContact O-N 2.85Å; R1615-H1619 WeakPolarHBondContact O-CB 3.25Å; R1615-H1619 PolarHBondContact O-N 2.93Å
1616M81.5Confident78Confident127 Ų127114.6 Ų114.663%0.62653%0.53SS*.Hα-helixtrans-67-37.6178.2-17117663.200112.2V1612 R1613 H1614 K1620V1612-M1616 WeakPolarHBondContact O-CB 3.5Å; V1612-M1616 PolarHBondContact O-N 2.92Å; R1613-M1616 PolarHBondContact O-N 2.67Å; H1614-M1616 VanDerWaalsContact C-N 3.32Å; H1614-M1616 PolarHBondContact O-N 2.9Å; M1616-K1620 VanDerWaalsContact O-CB 3.28Å; M1616-K1620 WeakPolarHBondContact O-CB 3.46Å; M1616-K1620 PolarHBondContact O-N 2.81Å
1617E84.3Confident78.7Confident103 Ų103111.3 Ų111.348%0.48152%0.52SS..Hα-helixtrans-68-41.3174.7-73.5172.9-172.400112R1613 H1614 K1620 L1621R1613-E1617 WeakPolarHBondContact CG-OE1 3.42Å; R1613-E1617 IonicContact NE-OE1 2.66Å; R1613-E1617 WeakPolarHBondContact O-CG 3.28Å; R1613-E1617 PolarHBondContact O-N 2.87Å; H1614-E1617 PolarHBondContact O-N 3.15Å; E1617-K1620 PolarHBondContact O-N 3.38Å; E1617-L1621 PolarHBondContact O-N 3.36Å
1618Q76.9Confident79.8Confident87 Ų87112.8 Ų112.841%0.40752%0.523SS..Hα-helixtrans-61.4-46.9172.6-70-72.4200112H1614 R1615 K1620 L1621 L1622H1614-Q1618 PolarHBondContact NE2-NE2 3.5Å; H1614-Q1618 VanDerWaalsContact O-CG 3.28Å; H1614-Q1618 WeakPolarHBondContact O-CG 3.33Å; H1614-Q1618 PolarHBondContact O-N 2.91Å; R1615-Q1618 PolarHBondContact O-N 2.85Å; Q1618-K1620 VanDerWaalsContact C-N 3.31Å; Q1618-K1620 PolarHBondContact O-N 2.89Å; Q1618-L1621 PolarHBondContact O-N 2.71Å; Q1618-L1621 VanDerWaalsContact O-N 3.15Å; Q1618-L1622 WeakPolarHBondContact O-CG 3.46Å; Q1618-L1622 PolarHBondContact O-N 2.8Å
1619H81.7Confident80.3Confident130 Ų130114.3 Ų114.360%0.60253%0.531SS*.Hα-helixtrans-61.8-39.5177.2-165.2-73000111.7R1615 L1621 L1622 E1623R1615-H1619 WeakPolarHBondContact O-CB 3.25Å; R1615-H1619 PolarHBondContact O-N 2.93Å; H1619-L1621 VanDerWaalsContact C-N 3.33Å; H1619-L1621 PolarHBondContact O-N 3.35Å; H1619-L1622 PolarHBondContact O-N 3.49Å; H1619-E1623 WeakPolarHBondContact O-CB 3.5Å; H1619-E1623 PolarHBondContact O-N 2.88Å
1620K84.4Confident80.6Confident163 Ų163111.7 Ų111.771%0.70952%0.518SS*.Hα-helixtrans-67-32175.9-170.1172.3-175.3173.80112.7M1616 E1617 Q1618 K1624M1616-K1620 VanDerWaalsContact O-CB 3.28Å; M1616-K1620 WeakPolarHBondContact O-CB 3.46Å; M1616-K1620 PolarHBondContact O-N 2.81Å; E1617-K1620 PolarHBondContact O-N 3.38Å; Q1618-K1620 VanDerWaalsContact C-N 3.31Å; Q1618-K1620 PolarHBondContact O-N 2.89Å; K1620-K1624 WeakPolarHBondContact O-CB 3.42Å; K1620-K1624 PolarHBondContact O-N 3.24Å; K1620-K1624 VanDerWaalsContact O-N 3.16Å
1621L82.9Confident80.8Confident91 Ų91113 Ų11348%0.47652%0.517SS..Hα-helixtrans-72.8-43.3173.9-17660.8000111.8E1617 Q1618 H1619 K1624 Q1625E1617-L1621 PolarHBondContact O-N 3.36Å; Q1618-L1621 PolarHBondContact O-N 2.71Å; Q1618-L1621 VanDerWaalsContact O-N 3.15Å; H1619-L1621 VanDerWaalsContact C-N 3.33Å; H1619-L1621 PolarHBondContact O-N 3.35Å; L1621-K1624 PolarHBondContact O-N 3.34Å; L1621-Q1625 WeakPolarHBondContact O-CG 3.43Å; L1621-Q1625 PolarHBondContact O-N 2.94Å
1622L78.8Confident81.1Confident107 Ų107114 Ų11456%0.5652%0.522SS*.Hα-helixtrans-61.6-46.7175.8-74.8169.2000112Q1618 H1619 K1624 Q1625 R1626Q1618-L1622 WeakPolarHBondContact O-CG 3.46Å; Q1618-L1622 PolarHBondContact O-N 2.8Å; H1619-L1622 PolarHBondContact O-N 3.49Å; L1622-K1624 VanDerWaalsContact C-N 3.32Å; L1622-K1624 PolarHBondContact O-N 3.49Å; L1622-Q1625 WeakPolarHBondContact O-CB 3.49Å; L1622-Q1625 PolarHBondContact O-N 2.87Å; L1622-Q1625 VanDerWaalsContact O-N 3.13Å; L1622-R1626 PolarHBondContact O-N 3Å
1623E84.4Confident80.8Confident71 Ų71116.4 Ų116.433%0.33252%0.522SS..Hα-helixtrans-66.7-34.4178-168.855.4-14100111.4H1619 Q1625 R1626 V1627H1619-E1623 WeakPolarHBondContact O-CB 3.5Å; H1619-E1623 PolarHBondContact O-N 2.88Å; E1623-Q1625 VanDerWaalsContact C-N 3.34Å; E1623-Q1625 PolarHBondContact O-N 3.39Å; E1623-R1626 WeakPolarHBondContact O-CB 3.02Å; E1623-R1626 PolarHBondContact O-N 2.81Å; E1623-R1626 WeakPolarHBondContact OE1-CD 2.93Å; E1623-R1626 IonicContact OE1-NH1 3.33Å; E1623-R1626 WeakPolarHBondContact OE2-CD 3.29Å; E1623-R1626 IonicContact OE2-CZ 2.73Å; E1623-R1626 IonicContact OE2-NH1 3.06Å; E1623-R1626 PolarHBondContact OE2-NH1 3.35Å; E1623-R1626 VanDerWaalsContact OE2-NH1 3.08Å; E1623-V1627 WeakPolarHBondContact O-CG2 3.45Å; E1623-V1627 PolarHBondContact O-N 2.89Å
1624K86.2Confident80.2Confident157 Ų157112.5 Ų112.568%0.68352%0.519SS*.Hα-helixtrans-62.8-38.4170.9-172.3179.7179.6-175.30112.5K1620 L1621 L1622 E1628K1620-K1624 WeakPolarHBondContact O-CB 3.42Å; K1620-K1624 PolarHBondContact O-N 3.24Å; K1620-K1624 VanDerWaalsContact O-N 3.16Å; L1621-K1624 PolarHBondContact O-N 3.34Å; L1622-K1624 VanDerWaalsContact C-N 3.32Å; L1622-K1624 PolarHBondContact O-N 3.49Å; K1624-E1628 PolarHBondContact O-N 3.45Å; K1624-E1628 VanDerWaalsContact O-N 3.13Å
1625Q82.3Confident79.6Confident108 Ų108113.4 Ų113.451%0.50552%0.522SS..Hα-helixtrans-67.7-42.4173.6-70.5-177.118.300111.6L1621 L1622 E1623 V1627 E1628 I1629L1621-Q1625 WeakPolarHBondContact O-CG 3.43Å; L1621-Q1625 PolarHBondContact O-N 2.94Å; L1622-Q1625 WeakPolarHBondContact O-CB 3.49Å; L1622-Q1625 PolarHBondContact O-N 2.87Å; L1622-Q1625 VanDerWaalsContact O-N 3.13Å; E1623-Q1625 VanDerWaalsContact C-N 3.34Å; E1623-Q1625 PolarHBondContact O-N 3.39Å; Q1625-V1627 PolarHBondContact O-N 2.92Å; Q1625-E1628 PolarHBondContact O-N 2.85Å; Q1625-I1629 WeakPolarHBondContact O-CB 3.33Å; Q1625-I1629 VanDerWaalsContact O-CG1 3.28Å; Q1625-I1629 WeakPolarHBondContact O-CG1 3.32Å; Q1625-I1629 PolarHBondContact O-N 3.37Å
1626R87.1Confident78.7Confident162 Ų162112.4 Ų112.461%0.61153%0.527SS*.Hα-helixtrans-57.4-48.6175-172.6-171.9-178.2-174.10.4111.4L1622 E1623 E1628 I1629 E1630L1622-R1626 PolarHBondContact O-N 3Å; E1623-R1626 WeakPolarHBondContact O-CB 3.02Å; E1623-R1626 PolarHBondContact O-N 2.81Å; E1623-R1626 WeakPolarHBondContact OE1-CD 2.93Å; E1623-R1626 IonicContact OE1-NH1 3.33Å; E1623-R1626 WeakPolarHBondContact OE2-CD 3.29Å; E1623-R1626 IonicContact OE2-CZ 2.73Å; E1623-R1626 IonicContact OE2-NH1 3.06Å; E1623-R1626 PolarHBondContact OE2-NH1 3.35Å; E1623-R1626 VanDerWaalsContact OE2-NH1 3.08Å; R1626-E1628 PolarHBondContact O-N 3.41Å; R1626-I1629 PolarHBondContact O-N 3.22Å; R1626-E1630 WeakPolarHBondContact O-CB 3.44Å; R1626-E1630 PolarHBondContact O-N 3.25Å
1627V81.4Confident76.8Confident83 Ų83115.3 Ų115.350%0.50353%0.531SS..Hα-helixtrans-63.1-40.7178.7170.90000112.1E1623 Q1625 E1630 R1631E1623-V1627 WeakPolarHBondContact O-CG2 3.45Å; E1623-V1627 PolarHBondContact O-N 2.89Å; Q1625-V1627 PolarHBondContact O-N 2.92Å; V1627-E1630 PolarHBondContact O-N 2.9Å; V1627-R1631 WeakPolarHBondContact O-CB 3.49Å; V1627-R1631 PolarHBondContact O-N 2.8Å
1628E82.4Confident74.8Confident86 Ų86116.4 Ų116.440%0.40255%0.545SS..Hα-helixtrans-71.1-36176.2-167.260.2-139.900112.1K1624 Q1625 R1626 R1631 L1632 K1635K1624-E1628 PolarHBondContact O-N 3.45Å; K1624-E1628 VanDerWaalsContact O-N 3.13Å; Q1625-E1628 PolarHBondContact O-N 2.85Å; R1626-E1628 PolarHBondContact O-N 3.41Å; E1628-R1631 PolarHBondContact O-N 3.46Å; E1628-R1631 WeakPolarHBondContact OE2-CD 3.45Å; E1628-L1632 HydrophobicContact CG-CD1 4.33Å; E1628-L1632 WeakPolarHBondContact O-CB 3.39Å; E1628-L1632 VanDerWaalsContact O-CG 3.25Å; E1628-L1632 WeakPolarHBondContact O-CG 3.5Å; E1628-L1632 PolarHBondContact O-N 3.28Å; E1628-K1635 IonicContact OE1-NZ 3.02Å
1629I77.6Confident72.9Confident87 Ų87117.3 Ų117.345%0.44656%0.558SS.*Hα-helixtrans-62.1-43.7172.6-71.1166.4000110.6Q1625 R1626 L1632 R1633Q1625-I1629 WeakPolarHBondContact O-CB 3.33Å; Q1625-I1629 VanDerWaalsContact O-CG1 3.28Å; Q1625-I1629 WeakPolarHBondContact O-CG1 3.32Å; Q1625-I1629 PolarHBondContact O-N 3.37Å; R1626-I1629 PolarHBondContact O-N 3.22Å; I1629-L1632 PolarHBondContact O-N 3.06Å; I1629-R1633 WeakPolarHBondContact O-CB 3.47Å; I1629-R1633 VanDerWaalsContact O-CG 3.32Å; I1629-R1633 WeakPolarHBondContact O-CG 3.44Å; I1629-R1633 PolarHBondContact O-N 2.66Å
1630E78.5Confident70.4Confident81 Ų81123.1 Ų123.138%0.37958%0.575SS.*Hα-helixtrans-72.1-31.3179.1-14755.5-125.700111.9R1626 V1627 R1633 S1634R1626-E1630 WeakPolarHBondContact O-CB 3.44Å; R1626-E1630 PolarHBondContact O-N 3.25Å; V1627-E1630 PolarHBondContact O-N 2.9Å; E1630-R1633 PolarHBondContact O-N 2.88Å; E1630-R1633 WeakPolarHBondContact OE2-CD 3.4Å; E1630-R1633 IonicContact OE2-NH1 2.74Å; E1630-R1633 PolarHBondContact OE2-NH1 2.83Å; E1630-R1633 VanDerWaalsContact OE2-NH1 3.12Å; E1630-S1634 VanDerWaalsContact O-CB 3.27Å; E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 2.93Å; E1630-S1634 PolarHBondContact O-OG 3.13Å
1631R79.1Confident68Low148 Ų148119.4 Ų119.456%0.55858%0.575SS**Hα-helixtrans-66.5-37.9169.7-175.2174.9-177.975.3-4.7112.2V1627 E1628 K1635V1627-R1631 WeakPolarHBondContact O-CB 3.49Å; V1627-R1631 PolarHBondContact O-N 2.8Å; E1628-R1631 PolarHBondContact O-N 3.46Å; E1628-R1631 WeakPolarHBondContact OE2-CD 3.45Å; R1631-K1635 WeakPolarHBondContact O-CD 3.31Å; R1631-K1635 VanDerWaalsContact O-CG 3.26Å; R1631-K1635 WeakPolarHBondContact O-CG 3.29Å; R1631-K1635 PolarHBondContact O-N 3.02Å; R1631-K1635 VanDerWaalsContact O-N 3.09Å
1632L76.8Confident65.6Low82 Ų82120.3 Ų120.343%0.42958%0.584SS.*Hα-helixtrans-70.4-43.3173.6-72.6168000111.5E1628 I1629 S1634 K1635 I1636E1628-L1632 HydrophobicContact CG-CD1 4.33Å; E1628-L1632 WeakPolarHBondContact O-CB 3.39Å; E1628-L1632 VanDerWaalsContact O-CG 3.25Å; E1628-L1632 WeakPolarHBondContact O-CG 3.5Å; E1628-L1632 PolarHBondContact O-N 3.28Å; I1629-L1632 PolarHBondContact O-N 3.06Å; L1632-S1634 VanDerWaalsContact C-N 3.32Å; L1632-S1634 PolarHBondContact O-N 3.26Å; L1632-K1635 HydrophobicContact CD2-CD 4.44Å; L1632-K1635 PolarHBondContact O-N 2.62Å; L1632-I1636 WeakPolarHBondContact O-CG1 3.25Å; L1632-I1636 PolarHBondContact O-N 3.33Å
1633R71.2Confident63.4Low142 Ų142120.3 Ų120.354%0.53659%0.593SS.*Hα-helixtrans-58.5-42.9172-75.3169.8167.7-172.2-6112.1I1629 E1630 K1635 I1636 R1637I1629-R1633 WeakPolarHBondContact O-CB 3.47Å; I1629-R1633 VanDerWaalsContact O-CG 3.32Å; I1629-R1633 WeakPolarHBondContact O-CG 3.44Å; I1629-R1633 PolarHBondContact O-N 2.66Å; E1630-R1633 PolarHBondContact O-N 2.88Å; E1630-R1633 WeakPolarHBondContact OE2-CD 3.4Å; E1630-R1633 IonicContact OE2-NH1 2.74Å; E1630-R1633 PolarHBondContact OE2-NH1 2.83Å; E1630-R1633 VanDerWaalsContact OE2-NH1 3.12Å; R1633-K1635 VanDerWaalsContact C-N 3.34Å; R1633-K1635 PolarHBondContact O-N 2.88Å; R1633-I1636 PolarHBondContact O-N 3.49Å; R1633-R1637 VanDerWaalsContact O-CB 3.32Å; R1633-R1637 WeakPolarHBondContact O-CB 3.28Å; R1633-R1637 PolarHBondContact O-N 3.26Å
1634S69.1Low61Low81 Ų81122.6 Ų122.657%0.56661%0.612SS**Hα-helixtrans-66.5-31.9177.1-59.50000113E1630 L1632E1630-S1634 VanDerWaalsContact O-CB 3.27Å; E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 2.93Å; E1630-S1634 PolarHBondContact O-OG 3.13Å; L1632-S1634 VanDerWaalsContact C-N 3.32Å; L1632-S1634 PolarHBondContact O-N 3.26Å
1635K70.5Confident58.5Low123 Ų123120.9 Ų120.954%0.53561%0.61SS.*Hα-helixtrans-72.3-29.2171.9-72.6163.2-179.4169.30113.2E1628 R1631 L1632 R1633E1628-K1635 IonicContact OE1-NZ 3.02Å; R1631-K1635 WeakPolarHBondContact O-CD 3.31Å; R1631-K1635 VanDerWaalsContact O-CG 3.26Å; R1631-K1635 WeakPolarHBondContact O-CG 3.29Å; R1631-K1635 PolarHBondContact O-N 3.02Å; R1631-K1635 VanDerWaalsContact O-N 3.09Å; L1632-K1635 HydrophobicContact CD2-CD 4.44Å; L1632-K1635 PolarHBondContact O-N 2.62Å; R1633-K1635 VanDerWaalsContact C-N 3.34Å; R1633-K1635 PolarHBondContact O-N 2.88Å
1636I56.3Low56.4Low141 Ų141121.9 Ų121.972%0.72363%0.626SS**Hα-helixtrans-88.4-30-178.5-67.9165.5000111.4L1632 R1633 V1638L1632-I1636 WeakPolarHBondContact O-CG1 3.25Å; L1632-I1636 PolarHBondContact O-N 3.33Å; R1633-I1636 PolarHBondContact O-N 3.49Å; I1636-V1638 VanDerWaalsContact C-N 3.3Å; I1636-V1638 PolarHBondContact O-N 3.39Å
1637R41.1Very low53.8Low189 Ų189121.8 Ų121.871%0.71363%0.632SS**  trans-77.475.8175.3-175.3178.2-87.5159.3-8.4110.9R1633 P1639R1633-R1637 VanDerWaalsContact O-CB 3.32Å; R1633-R1637 WeakPolarHBondContact O-CB 3.28Å; R1633-R1637 PolarHBondContact O-N 3.26Å; R1637-P1639 VanDerWaalsContact O-CD 3.31Å; R1637-P1639 WeakPolarHBondContact O-CD 3.39Å
1638V40.8Very low51.4Low126 Ų126125.7 Ų125.776%0.76465%0.647SS**  trans-70.7115.5160.9178.50000108.1I1636 R1640I1636-V1638 VanDerWaalsContact C-N 3.3Å; I1636-V1638 PolarHBondContact O-N 3.39Å; V1638-R1640 PolarHBondContact O-N 3.48Å; V1638-R1640 VanDerWaalsContact O-N 3.14Å
1639P38.6Very low49.1Very low106 Ų106129.5 Ų129.569%0.68867%0.668SS**  trans-80.4100-176.931.7-32.4000110.4R1637 A1641R1637-P1639 VanDerWaalsContact O-CD 3.31Å; R1637-P1639 WeakPolarHBondContact O-CD 3.39Å; P1639-A1641 PolarHBondContact O-N 3.4Å
1640R29.3Very low47Very low251 Ų251127.8 Ų127.895%0.94767%0.672SS**  trans-75.160165-165.8-179.9177.3107.3-1.5110.3V1638V1638-R1640 PolarHBondContact O-N 3.48Å; V1638-R1640 VanDerWaalsContact O-N 3.14Å
1641A33.8Very low44.9Very low86 Ų86131.6 Ų131.671%0.71170%0.695SS**PPolyproline II helixtrans-75.3141.4172.700000109.9P1639 S1643P1639-A1641 PolarHBondContact O-N 3.4Å; A1641-S1643 PolarHBondContact O-N 2.87Å
1642T32.6Very low42.8Very low110 Ų110131.8 Ų131.868%0.67571%0.707SS**PPolyproline II helixtrans-74.7119.8-176.944.50000111.3
1643S31.3Very low40.8Very low107 Ų107135.8 Ų135.875%0.74872%0.724SS**PPolyproline II helixtrans-71.9129.8162-172.50000109.7A1641A1641-S1643 PolarHBondContact O-N 2.87Å
1644V35.7Very low39.1Very low119 Ų119132.2 Ų132.272%0.72173%0.725SS**  trans-136.9122165-172.10000105.1P1646V1644-P1646 VanDerWaalsContact O-CD 3.23Å; V1644-P1646 WeakPolarHBondContact O-CD 3.36Å
1645N32.5Very low37.7Very low121 Ų121135.3 Ų135.365%0.64774%0.735SS**  trans-66.8135.5-177-75.28.2000111.5
1646P37.8Very low35.9Very low129 Ų129133.9 Ų133.984%0.83874%0.736SS**  trans-104.796.8135.133.1-26.6000108.3V1644V1644-P1646 VanDerWaalsContact O-CD 3.23Å; V1644-P1646 WeakPolarHBondContact O-CD 3.36Å
1647E32.7Very low34.9Very low159 Ų159132.7 Ų132.774%0.74374%0.736SS**  trans-81.4152.4169.3-163.4175.2152.200109.4
1648M31.4Very low34.4Very low165 Ų165131 Ų13181%0.81374%0.74SS**  trans68.3107.7-177.7-53.3-176.162.100117.1
1649I34.9Very low33.9Very low167 Ų167130.2 Ų130.286%0.85674%0.736SS**  -175.6132.399.5-89.7156.5000109.9
1650G32.1Very low33.5Very low51 Ų51129.4 Ų129.453%0.52674%0.738SS.*  trans81.6107.1144.700000119.7
1651D34.4Very low33.6Very low161 Ų161124.7 Ų124.786%0.86173%0.731SS**  42.2135118.1-28.2-35.1000119.3
1652D35.2Very low33.3Very low151 Ų151128.1 Ų128.181%0.80773%0.732SS**  cis-163.5-166-18.2-133.5-27.8000105.6
1653E35.5Very low33.1Very low167 Ų167128.1 Ų128.178%0.7874%0.737SS**  cis-154.3-165.68.7-147.7-167.7146.400109.5
1654A35.9Very low33Very low67 Ų67126.7 Ų126.755%0.55473%0.731SS**  trans3.7150.3145.300000121.4
1655D38.5Very low32.8Very low146 Ų146129.8 Ų129.878%0.78174%0.743SS**  cis-166.7175.33.9-117.14.7000109.6
1656T34.1Very low32.8Very low92 Ų92127 Ų12756%0.56474%0.743SS**  cis171137.4-36.9-85.30000108.8
1657T33.9Very low32.5Very low116 Ų116128.6 Ų128.671%0.71274%0.744SS**  trans59.9173.3166.958.40000117.6
1658L32.5Very low32.6Very low153 Ų153125.8 Ų125.880%0.80175%0.748SS**  cis-127.6169.8-2.2-95.198.3000108.6
1659T29.7Very low32.7Very low110 Ų110122.6 Ų122.668%0.67574%0.742SS**  cis164.7141.9-23.8-820000105.2
1660A30.2Very low32.6Very low89 Ų89122.4 Ų122.474%0.73674%0.742SS**  trans-47.5160.9-178.300000118.5
1661L30.6Very low32.6Very low152 Ų152124.1 Ų124.180%0.79675%0.746SS**  trans-171.1150.9144.2-87.4177.3000107.8
1662Q28.9Very low32.5Very low159 Ų159124.3 Ų124.374%0.74375%0.746SS**  cis-172.5146.4-32.5-146.8177.830.800109.4
1663S28.5Very low32.8Very low110 Ų110123 Ų12377%0.76975%0.746SS**  trans61.5161155.569.10000119.4
1664A28.4Very low32.6Very low77 Ų77119 Ų11964%0.63674%0.742SS**  cis-168.5178.4-27.900000109.5
1665L30.5Very low32.4Very low183 Ų183121.2 Ų121.296%0.95875%0.753SS**  trans70.3139.9169.8-51.3113.4000116.8
1666G33.3Very low32.6Very low63 Ų63120.1 Ų120.165%0.64975%0.754SS**  cis173.4150.7-10.200000115.2
1667N31.9Very low33.1Very low163 Ų163121.2 Ų121.287%0.87276%0.763SS**  trans37.7115.3150.6-55.1-7.1000120.5
1668A35.2Very low33.7Very low99 Ų99120.4 Ų120.482%0.81876%0.759SS**  168.4157.5102.200000112.3
1669S31.9Very low33.8Very low99 Ų99119.8 Ų119.869%0.69276%0.757SS**  cis-179.1167.4-39.7-100.70000108.9
1670L32.8Very low34.3Very low163 Ų163120.3 Ų120.385%0.85376%0.76SS**  trans79.4137.4166.5-48179.7000118.1
1671S31.8Very low34.6Very low87 Ų87124 Ų12461%0.60876%0.762SS**  cis-177.5125.9-32.642.50000112.4
1672L34.2Very low34.8Very low164 Ų164121.4 Ų121.486%0.85975%0.752SS**  trans52.3166.8130.2-57.9170.4000121.7
1673P39.8Very low35.1Very low123 Ų123119 Ų11980%0.79975%0.749SS**  cis-114-135.8-17.323.22.8000109.8
1674A32.3Very low35.4Very low85 Ų85122.6 Ų122.670%0.70275%0.751SS**  cis-160.9164.81.900000114.9
1675S32.6Very low35.6Very low113 Ų113123.9 Ų123.979%0.7975%0.751SS**  trans2.3142.6154.4-46.80000122.9
1676P42.1Very low35.7Very low123 Ų123122.4 Ų122.480%0.79974%0.743SS**  -118.2170.682.339.8-38.4000113
1677P44.5Very low35.7Very low115 Ų115123.8 Ų123.875%0.74774%0.739SS**  -154.9-147.789.744.7-23.2000111.2
1678P46.8Very low35.6Very low99 Ų99122 Ų12264%0.64374%0.735SS**  cis-138.1-171.3-1541.7-23000116.7
1679N34.9Very low35.3Very low140 Ų140122.2 Ų122.275%0.74973%0.725SS**  trans100.7145.3140.6-80.1-3.8000123.6
1680T40.1Very low35.2Very low121 Ų121123.9 Ų123.974%0.74273%0.725SS**  trans67.7135.1159.758.80000118.8
1681E36.1Very low35.4Very low166 Ų166121.4 Ų121.478%0.77672%0.719SS**  cis-156.2148.6-11.1-118.3-158.7101.200114
1682T35.1Very low35.4Very low97 Ų97121.7 Ų121.760%0.59572%0.721SS**  trans27.9124.9140.5-33.10000120.5
1683T34.6Very low35.1Very low110 Ų110121.1 Ų121.168%0.67572%0.719SS**  170.998.5103.1-65.90000115.1
1684K33.7Very low34.6Very low184 Ų184121 Ų12180%0.872%0.716SS**  trans67.6145.1137.4-69.2-179.2-173.2173.10121.5
1685V32.9Very low34.2Very low105 Ų105124.6 Ų124.664%0.63672%0.722SS**  cis-166.3132-21.5112.40000104.7
1686N33.3Very low33.9Very low151 Ų151123.2 Ų123.281%0.80772%0.717SS**  57.4176.162.5-66.6-9.6000111.4
1687T32.9Very low33.2Very low92 Ų92123.2 Ų123.256%0.56472%0.715SS**  cis-153.716214.8-380000106.3V1689T1687-V1689 HydrophobicContact CG2-CG2 4.29Å
1688T29.9Very low32.3Very low126 Ų126128 Ų12877%0.77372%0.719SS**  158.6141.587.8-50.20000106.3
1689V29.4Very low31.4Very low103 Ų103130.9 Ų130.962%0.62473%0.725SS**  cis-168.4147.9-29.496.30000105.4T1687T1687-V1689 HydrophobicContact CG2-CG2 4.29Å
1690I30.6Very low31Very low135 Ų135129.7 Ų129.769%0.69272%0.723SS**  36.6144.4102.7-46.1179.3000113.7
1691P36.6Very low30.6Very low111 Ų111132.3 Ų132.372%0.72173%0.729SS**  cis-109.61747.66.421000113.1
1692S31.5Very low30.1Very low92 Ų92128 Ų12864%0.64372%0.717SS**  72.713354.9-34.30000116.5
1693D27.7Very low29.9Very low152 Ų152131.4 Ų131.481%0.81373%0.727SS**  trans74.3149.9141.3-82.8-51.1000123.7
1694V28.4Very low29.6Very low122 Ų122131 Ų13174%0.73973%0.728SS**  trans6599.3147.7173.80000119.3
1695L25.7Very low29.3Very low159 Ų159126.6 Ų126.683%0.83272%0.72SS**  55.6102.9112.7-139.379.3000120.1
1696A25.9Very low29.1Very low84 Ų84127 Ų12769%0.69472%0.723SS**  trans75.3162.6134.900000122.2
1697T26.9Very low28.9Very low123 Ų123128.1 Ų128.176%0.75572%0.721SS**  trans82.276.8156.4-39.80000118.9
1698R24.8Very low28.7Very low217 Ų217128.3 Ų128.382%0.81973%0.726SS**  34.4103.8106.1-177.6-154.3-164.3-177.58116.7
1699M29Very low28.6Very low159 Ų159126.3 Ų126.378%0.78372%0.717SS**  -178.9107.3129.4-98.7176.6-174.200109.6
1700T27Very low28.5Very low114 Ų114127.8 Ų127.870%0.69972%0.722SS**  53.7110.797.264.90000115.7
1701M29.9Very low28.5Very low176 Ų176126.5 Ų126.587%0.86772%0.72SS**  170142.1128.9-88.8-69.6165.100107
1702S27.4Very low28Very low76 Ų76125.5 Ų125.553%0.53172%0.716SS.*  cis178.7176.3-24.949.80000106.2
1703Q29.5Very low27.8Very low169 Ų169126 Ų12679%0.7971%0.714SS**  trans74.996.8175.1-57.2171.4106.100112.8
1704S28.4Very low27.7Very low101 Ų101124.1 Ų124.171%0.70671%0.713SS**  75.6147.368.582.40000111.8
1705S28.6Very low27.6Very low91 Ų91121.8 Ų121.864%0.63670%0.703SS**  cis-147.8157.624.8-41.10000112.3
1706T28.1Very low27.7Very low114 Ų114124.1 Ų124.170%0.69970%0.7SS**  trans21140.5134.868.50000119.1
1707K28.9Very low27.8Very low175 Ų175126.2 Ų126.276%0.76170%0.695SS**  cis-157.5148.438.5-133.3133.8-174.7179.60110.2
1708S28.3Very low27.9Very low96 Ų96128.9 Ų128.967%0.67169%0.692SS**  21.9130.3119.4-41.80000115.5
1709S28.7Very low28Very low84 Ų84123.8 Ų123.859%0.58768%0.681SS**  cis150.4-179.227.6440000106.2
1710N27.1Very low28Very low134 Ų134121.2 Ų121.272%0.71767%0.67SS**  trans71.2136.6151.2-64-15000114.4
1711V29.7Very low28Very low107 Ų107123.2 Ų123.265%0.64867%0.671SS**  cis-139.2130.80.7119.70000104.2V1713V1711-V1713 HydrophobicContact CG1-CB 4.26Å; V1711-V1713 HydrophobicContact CG1-CG2 4.06Å
1712S25.9Very low28Very low91 Ų91119.8 Ų119.864%0.63667%0.665SS**  59.1174.967.3-48.60000111.4
1713V27.3Very low27.9Very low102 Ų102120.1 Ų120.162%0.61867%0.672SS**  trans59.660.6-179.2-167.80000110.3V1711 S1715V1711-V1713 HydrophobicContact CG1-CB 4.26Å; V1711-V1713 HydrophobicContact CG1-CG2 4.06Å; V1713-S1715 VanDerWaalsContact CG1-OG 3.27Å; V1713-S1715 WeakPolarHBondContact CG1-OG 3.37Å
1714S26.2Very low28.2Very low113 Ų113117.4 Ų117.479%0.7967%0.669SS**  61.6-140.272.1-41.30000110.4
1715S27.3Very low28.3Very low73 Ų73118.1 Ų118.151%0.5167%0.671SS.*  trans60.756.8170.4-48.50000113.4V1713V1713-S1715 VanDerWaalsContact CG1-OG 3.27Å; V1713-S1715 WeakPolarHBondContact CG1-OG 3.37Å
1716R26.9Very low28.3Very low208 Ų208123.4 Ų123.479%0.78568%0.677SS**  74.1-175.391.4-66.9167.2173166.8-5.5110.7
1717H28.5Very low28.2Very low127 Ų127124.1 Ų124.159%0.58867%0.672SS**  trans47.9118.2133.9-71.2-9.5000117.1
1718R27.7Very low28.2Very low180 Ų180122.3 Ų122.368%0.67967%0.666SS**  cis176.6-163.924.9-129.6170.3160.7153.91.5108.7
1719D28.4Very low28.2Very low110 Ų110124.3 Ų124.359%0.58867%0.665SS**  22.8123126.4-46.6-12.5000115.4
1720N28.1Very low28.3Very low104 Ų104128.1 Ų128.156%0.55667%0.673SS**  cis-169.4170.423.1-128.71.1000117S1722N1720-S1722 PolarHBondContact O-N 3.17Å
1721Q26.9Very low28.5Very low156 Ų156128.8 Ų128.873%0.72967%0.672SS**  2.7111123.1-52159.339.300112.4
1722S30.5Very low28.9Very low104 Ų104129.2 Ų129.273%0.72768%0.677SS**  -163.9152.570.5-73.90000109.6N1720N1720-S1722 PolarHBondContact O-N 3.17Å
1723A25.5Very low29Very low83 Ų83131.6 Ų131.669%0.68668%0.678SS**  cis68.5150.941.400000111.5
1724P35.8Very low29.4Very low112 Ų112132 Ų13273%0.72768%0.683SS**  -112.8164.6-113.86.216.1000114.2R1726P1724-R1726 HydrophobicContact CB-CB 4.2Å
1725P31.1Very low29.7Very low117 Ų117131.6 Ų131.676%0.7668%0.677SS**  -132.7134.4116.533.5-23.1000110.9
1726R27.2Very low30.1Very low202 Ų202136.4 Ų136.476%0.76269%0.691SS**  cis49.8117.516.6-145.2-165.6-157.8-143.310.7114.1P1724P1724-R1726 HydrophobicContact CB-CB 4.2Å
1727H26.4Very low30.4Very low128 Ų128133.4 Ų133.459%0.59369%0.685SS**  trans69.3155.7-174.4-52.9-99.7000113.4
1728H28.4Very low31Very low137 Ų137132.5 Ų132.563%0.63469%0.691SS**  cis-136.2168.40-120.4-63.7000109.7
1729H28.4Very low31.3Very low138 Ų138130.1 Ų130.164%0.63969%0.687SS**  trans28.5140141.7-64.8-19.1000121.2
1730H32.2Very low31.7Very low164 Ų164131.8 Ų131.876%0.75970%0.695SS**  cis-160157.139.5-109.6-45.7000113.7
1731Q30.9Very low31.9Very low149 Ų149133.4 Ų133.470%0.69670%0.7SS**  trans-59145.8151.9-74.5174.1-59.700110.3
1732P37.6Very low32Very low115 Ų115131.5 Ų131.575%0.74769%0.694SS**  -134.8166.173.843-29.2000112.3
1733H28.5Very low32Very low142 Ų142133.1 Ų133.166%0.65769%0.69SS**  cis58.6153.146.2-76.7-66.6000114.6
1734P34.2Very low32.3Very low111 Ų111135.7 Ų135.772%0.72168%0.683SS**  cis-111.8-25.5-7.14.718.1000121
1735P33.9Very low32.2Very low103 Ų103138.8 Ų138.867%0.66969%0.688SS**  -118129.5-11537-24.7000118.5
1736H34.8Very low32.6Very low175 Ų175138.4 Ų138.481%0.8169%0.685SS**  trans47.1122.5141.4-62.6-100.1000121.5
1737H34.3Very low32.7Very low144 Ų144134.3 Ų134.367%0.66769%0.685SS**  65.3138.465.4-89.1-113.5000114.3
1738P39.9Very low33Very low109 Ų109136 Ų13671%0.70869%0.693SS**  cis-137.9148.841.335.8-16.8000119.5
1739H35.1Very low33.1Very low130 Ų130134.4 Ų134.460%0.60269%0.689SS**  trans57.2134.9136.8-69.2-52.5000120.9
1740L37.3Very low33.4Very low144 Ų144132.3 Ų132.375%0.75468%0.679SS**  cis-139.1147.1-2.4-76.2117000107.8
1741Q30.7Very low33.4Very low138 Ų138128.3 Ų128.365%0.64567%0.667SS**  cis76.2121.342-167.5-1783.500112.7
1742N29.7Very low33.4Very low116 Ų116125.1 Ų125.162%0.6266%0.66SS**  cis-167.4159.9-14.3-130.6-7.4000112
1743H31.2Very low33.2Very low138 Ų138124 Ų12464%0.63966%0.662SS**  trans63.7173156.3-53.7-34.6000116.6
1744Y31.1Very low33.4Very low138 Ų138124 Ų12454%0.54167%0.672SS.*  cis-135.8172.512.4-114.4-74.4000114.8T1447T1447-Y1744 WeakPolarHBondContact O-CE1 3.47Å; T1447-Y1744 PolarHBondContact O-OH 3.05Å
1745H33.9Very low33.4Very low177 Ų177122.9 Ų122.982%0.81967%0.672SS**  trans-77.8166.3-174.9-103.6-115.2000115.3
1746P38.1Very low33.6Very low108 Ų108123.2 Ų123.270%0.70167%0.673SS**  trans-85.3171.8-17639.1-38.8000113
1747P30.9Very low33.4Very low116 Ų116120.8 Ų120.875%0.75368%0.675SS**  -154.2151.497.540.5-22.6000118.2
1748Q31.4Very low33.6Very low164 Ų164119.9 Ų119.977%0.76668%0.682SS**  trans44.7146.1133.8-71.7-164.3-1.400125.6
1749N31.3Very low33.3Very low104 Ų104120.1 Ų120.156%0.55669%0.686SS**  trans76.8140.6145-62.9-6.8000119.4
1750H34.4Very low33.2Very low93 Ų93118.7 Ų118.743%0.43170%0.697SS.*  cis-172.5160.6-1.3-108.9-24.5000111.9S70 S71S70-H1750 WeakPolarHBondContact CB-CD2 3.48Å; S70-H1750 PolarHBondContact O-CD2 3.28Å; S70-H1750 VanDerWaalsContact OG-CB 3.28Å; S70-H1750 WeakPolarHBondContact OG-CB 3.35Å; S70-H1750 PolarHBondContact OG-CD2 3.28Å; S71-H1750 PolarHBondContact O-NE2 3.31Å; S71-H1750 PolarHBondContact OG-CD2 3.48Å; S71-H1750 PolarHBondContact OG-CE1 2.81Å; S71-H1750 PolarHBondContact OG-ND1 3.12Å; S71-H1750 PolarHBondContact OG-NE2 3.07Å; S71-H1750 VanDerWaalsContact OG-NE2 3.09Å
1751T32.6Very low32.9Very low81 Ų81119.9 Ų119.950%0.49770%0.7SS.*  trans59164.1156.632.50000122.6N69 S70N69-T1751 PolarHBondContact ND2-OG1 3.24Å; S70-T1751 WeakPolarHBondContact CB-OG1 3.47Å; S70-T1751 WeakPolarHBondContact OG-CB 3.07Å; S70-T1751 WeakPolarHBondContact OG-CG2 3.37Å; S70-T1751 PolarHBondContact OG-OG1 3.18Å
1752S31.5Very low33Very low81 Ų81119.2 Ų119.257%0.56671%0.706SS**  cis-154.8144.4-129.20000114.7N69N69-S1752 PolarHBondContact ND2-OG 3.27Å
1753A31.7Very low33Very low93 Ų93120.5 Ų120.577%0.76971%0.708SS**  trans71.7163.7137.700000122.1
1754T34.7Very low33Very low142 Ų142120.5 Ų120.587%0.87171%0.712SS**  trans84.4117.5163.1-70000118.4
1755A32.5Very low33Very low87 Ų87121.8 Ų121.872%0.71972%0.723SS**  trans-94.9-157.5169.700000109.2
1756P37.9Very low32.8Very low109 Ų109117.5 Ų117.571%0.70872%0.718SS**  cis-137.3149-13.936.7-18.3000116.2
1757C32.2Very low32.5Very low125 Ų125118.7 Ų118.785%0.84572%0.723SS**  trans58.4-173.9162.2-59.60000115.1
1758P37.8Very low32.7Very low124 Ų124117.2 Ų117.281%0.80572%0.715SS**  cis-117.6-156.5-18.642.5-27.9000112.1
1759S33.8Very low32.9Very low115 Ų115115.2 Ų115.280%0.80471%0.71SS**  trans-60.1155.4176.3-42.20000115.3
1760A32.8Very low33.1Very low100 Ų100116.7 Ų116.783%0.82672%0.718SS**  145.8158.2128.900000113.4
1761M31Very low33.2Very low168 Ų168118.7 Ų118.783%0.82873%0.732SS**  trans-63152.1175.6-53.815573.500111.7
1762V32.2Very low33.3Very low125 Ų125120.3 Ų120.376%0.75874%0.741SS**  -166.8149.5108.6136.10000109.8
1763Q31.2Very low33.5Very low142 Ų142123.6 Ų123.666%0.66475%0.753SS**  trans-64169.5172.2-6196.5-47.500111.6
1764L30.1Very low33.8Very low138 Ų138123.2 Ų123.272%0.72374%0.742SS**  -170.5111.3111.2-91.3161.7000106.2
1765Q30.4Very low33.8Very low166 Ų166123.9 Ų123.978%0.77674%0.74SS**  62103.4100.9-75.7-172-4.900112.4
1766A31Very low34Very low87 Ų87126.9 Ų126.972%0.71974%0.739SS**  96.7164.2101.200000109.4
1767V31.7Very low34.1Very low133 Ų133127.3 Ų127.381%0.80673%0.731SS**  cis-132.7170.110.2-123.40000106.7
1768S35Very low34.4Very low84 Ų84127 Ų12759%0.58773%0.728SS**  cis-165.3163.524.2-133.80000113.2
1769N34.5Very low34.3Very low122 Ų122126.3 Ų126.365%0.65272%0.723SS**  trans69.5112.9142.4-63.33.1000121
1770N36.1Very low34.7Very low136 Ų136127.7 Ų127.773%0.72772%0.716SS**  trans76.9137.9131.2-52.9-4000117.6
1771N35.9Very low35.1Very low135 Ų135128.2 Ų128.272%0.72271%0.712SS**  cis-152.9149.3-1.9-134.715.9000112.4
1772V35.7Very low35.2Very low114 Ų114126.4 Ų126.469%0.69171%0.71SS**  trans40.7107142.1175.80000117.3
1773N34.9Very low35.4Very low151 Ų151125.6 Ų125.681%0.80771%0.709SS**  59.2159.968-122.77.9000113.4
1774P39Very low35.6Very low85 Ų85124 Ų12455%0.55271%0.714SS**  cis-143.8-160.6-8.942.6-21.8000114.9
1775L34Very low35.8Very low156 Ų156126 Ų12682%0.81772%0.72SS**  trans73.6127.7150.3-98.754.6000119
1776H36.2Very low36.2Very low150 Ų150125.3 Ų125.369%0.69472%0.72SS**  cis95124.219.9-145.285.6000115.5
1777Q40.5Very low36.6Very low117 Ų117126.8 Ų126.855%0.54772%0.722SS.*  trans33.1146.5155.3-65.6-174.7-4.600122.5H1780Q1777-H1780 PolarHBondContact OE1-CD2 3.19Å; Q1777-H1780 VanDerWaalsContact OE1-CD2 3.3Å
1778P37.8Very low36.8Very low120 Ų120126 Ų12678%0.77972%0.719SS**  -127.8175.6111.940.8-35.8000112
1779P37.5Very low36.7Very low109 Ų109131.6 Ų131.671%0.70874%0.737SS**  -128.3164.8-57.543-29.2000109.8
1780H40.7Very low36.7Very low143 Ų143134.3 Ų134.366%0.66278%0.776SS**  cis56.1158.244.2-82.1-54.2000114.8Q1777Q1777-H1780 PolarHBondContact OE1-CD2 3.19Å; Q1777-H1780 VanDerWaalsContact OE1-CD2 3.3Å
1781P41.5Very low36.7Very low112 Ų112134.2 Ų134.273%0.72778%0.778SS**  cis-114.9-156.4-9.927.8-3.5000109.7
1782V34.3Very low36.7Very low129 Ų129134.2 Ų134.278%0.78278%0.781SS**  cis-145.2127.85.9-168.70000105
1783S35.4Very low36.8Very low108 Ų108135.3 Ų135.376%0.75579%0.786SS**  cis91.695.332-166.10000115.6
1784S35.6Very low36.9Very low110 Ų110134.4 Ų134.477%0.76979%0.785SS**  trans-16196.9156.662.50000114.1
1785Q34.4Very low36.8Very low180 Ų180137.4 Ų137.484%0.84180%0.799SS**  trans48.1129.3143.8-5517812.300120.5
1786I39.4Very low37Very low151 Ų151136.2 Ų136.277%0.77480%0.798SS**  cis69.2134.349.6-59.8173.4000111.3
1787P38.7Very low37Very low118 Ų118135.2 Ų135.277%0.76681%0.806SS**  cis-124.8163.720.321.61.9000117.9
1788P35Very low36.8Very low115 Ų115136.6 Ų136.675%0.74783%0.825SS**  trans-90.6165.316838.3-35.5000113
1789Q32.9Very low36.7Very low203 Ų203138 Ų13895%0.94983%0.829SS**  trans-167.390.3142.2-115.3-177.923.200112.8
1790A34.7Very low36.6Very low178 Ų178140.6 Ų140.6100%1.47184%0.84SS**  trans-169.60152.700000108.2

Retrieved 1,790 of 1,790 residues in 2260.7 ms (Link to these results)

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