WNK_CAEEL Loading...

Isoform f 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 X5M5N0-7 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 1,787 aa.

>WNK_CAEEL|X5M5N0-7|wnk-1
MGSHWLSEQERSRLEAVQQDWRRTRPMKFQWTSKKRPDDPTTSSPSTVSISNALENSTPSLNNVSSITNSSSPFSLSSAATSTASAIIPFTSNVATNHPHLNHHVSRIPQAIVTGGTNGSLPPLLISPTSAAAATPLISGKAGPMSPSTGSPINVAATVLQNAVSSPQHSIFDRSRLNKIPPNTSLASSSSPSDAANNDKPIQQRHSILSNVRTLTQAMVNDGPRTLTGDDMDKMVSEEERARKEQEKREEEEKAARRIDVEDDFDAQEKPIDKSKNGRFLKFDEELGRGSFKTVFRGLDTETGVAVAWCELQESKLNKTERQRFREEAEMLKDLQHPNIVRFYDYWESADLCGKRKYIVLVTELMTSGTLKMYLKRFKRINIKVLKSWCRQILKGLSFLHTRNPPVIHRDLKCDNIFITGTTGSVKIGDLGLATLKNKSFAKSVIGTPEFMAPEMYEEMYDESVDVYAFGMCLLEMVTGEYPYSECMNPATIYRKVISGVKPECFSRIPAQYPEIREIIDRCIRVRREERSTVKQLLVDDFFTPEDLIGIRVEIKNRDADLNDLNVEIQMQLRVYDEKKRKQYRFKENEGLQFAFDIENDSPDEVVQQMIEQQHIPDEDTRMITKLIKDKVDAFRRDRDHRLLEIKRAKEEEERIREEAEIKEELRLRAEAKEKEKERLEKERLEKKAAAAAAANPNPTPIPPTPATPHSSAQQQPIPPPLSTQTSAEIQQSAQQPSVPVTMIANIPAMSPTSAQPQPVLSPTSAAVPVPTTMIHVPKPSEIPVQNVATTAAPVAANNVPPSPAPFKTEDIQTPTLAQNTVPRTISTDASGLVINTPASIASPSPAPSATDVASTTAPVTPAPTPTTTTDGGAAAASTTTENKEEKRKSNKRKVVMEILGCDESRNFALVSCRLDTSHKSVTFQFAPGTDKPCTIATKLLAEDCLLKVHVHIVEAQLGEVIQLINSDGKKGVGTKLATVLDPNSTEPPTITAVMPKDSSAATASNTKPKIEIEKTPPTRDASQEPNNVQVTNVRKVSQESNAESVQSIPRPGGIIVMSPTNQTDSAPPPTGAAAKPSRFQVTKSADPIATPISSSISTATVIPIVAATPTNITSEPVIVQPITAQVITHLATPSPVSHSLSSNSSPSATTHSNMSSIQSTTSVPGRRFTVQPVSQAESGISSSISTPHPEPTPAITSCPPPVPSVPPVVSNGTLNLEVAPKQTPSATNQNVDTQHSSSTASTATLVSETPATVHVTPISVPAPVQEPLVIDHHSDVLTQLDSELRKVSGVSHSASPSTVVESLTSMTPQTIPLACQTVPASIGQAPAVIAAAHAASLIPNASVPQSPSRLDAETGLAGLHEKLEALKMEQDRREDMGDDAIGTTTTDGKDEIPIDTLKGLAEALGKVIHADGRETTPMPPDHPDLTDASTQQLISPSNPDVLTTMSSAVEGSASSTMIEDIDASTSAVDASMMNSMPPGAQNSTDQIPAAMTLSMDQECAQSMTSSITRNTTGTKLATFENLETALSSTLGTHIRQPNAPSSRDETTAPMTPSFTNERIGGGGGGGATSFSIGTPPSHSPFPVSECDYDLKGQMDLESEDPEVIQMIVRHRMEQHKLLEKQRVEIERLRSKIRVPRATSVNPEMIGDDEADTTLTALQSALGNASLSLPASPPPNTETTKVNTTVIPSDVLATRMTMSQSSTKSSNVSVSSRHRDNQSAPPRHHHHQPHPPHHPHLQNHYHPPQNHTSATAPCPSAMVQLQAVSNNNVNPLHQPPHPVSSQIPPQA
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31Very low57.4Low251 Ų251130.5 Ų130.5100%1.23665%0.654SS**  0157.20-67.8-176.3-88.400108.9
2G36.6Very low59Low59 Ų59125.3 Ų125.361%0.60864%0.639SS**  trans113.331.5173.300000117.7
3S39.7Very low60.3Low116 Ų116129.3 Ų129.381%0.81164%0.642SS**  trans-114.251.2-175.859.20000113.8
4H50.3Low61.3Low117 Ų117126 Ų12654%0.54263%0.627SS.*  trans-149.647.9177.5-148.5-70.9000114.3L6H4-L6 VanDerWaalsContact C-N 3.28Å; H4-L6 PolarHBondContact CE1-O 3.43Å; H4-L6 PolarHBondContact ND1-O 3.17Å; H4-L6 PolarHBondContact O-N 3.37Å
5W50.5Low62.5Low229 Ų229125 Ų12587%0.86762%0.62SS**  trans-76.8-4.6-178.1-82.697.5000115.8
6L67.6Low63.5Low74 Ų74120.6 Ų120.639%0.38761%0.61SS.*SBendtrans-114.8138.1171.5-70.5161.9000107.7H4 E10 R11 L14H4-L6 VanDerWaalsContact C-N 3.28Å; H4-L6 PolarHBondContact CE1-O 3.43Å; H4-L6 PolarHBondContact ND1-O 3.17Å; H4-L6 PolarHBondContact O-N 3.37Å; L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 3.89Å; L6-R11 HydrophobicContact CB-CB 4.44Å; L6-L14 HydrophobicContact CD1-CD1 3.77Å; L6-L14 HydrophobicContact CD2-CD1 4.1Å
7S77Confident64.2Low53 Ų53119.3 Ų119.337%0.37161%0.609SS.*  trans-62.6157.3163.962.70000110.4Q9 E10 R11S7-Q9 PolarHBondContact O-N 2.98Å; S7-E10 VanDerWaalsContact CB-OE2 3.28Å; S7-E10 WeakPolarHBondContact CB-OE2 3.38Å; S7-E10 PolarHBondContact N-OE2 3.48Å; S7-E10 PolarHBondContact O-N 3.25Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CD 3.3Å; S7-E10 VanDerWaalsContact OG-CG 3.27Å; S7-E10 WeakPolarHBondContact OG-CG 3.38Å; S7-E10 PolarHBondContact OG-N 2.93Å; S7-E10 VanDerWaalsContact OG-N 3.12Å; S7-E10 PolarHBondContact OG-OE2 3.2Å; S7-R11 WeakPolarHBondContact O-CB 3.45Å; S7-R11 PolarHBondContact O-N 3.07Å
8E65.6Low64.8Low152 Ų152118.2 Ų118.271%0.7160%0.601SS**Hα-helixtrans-57.2-33.7173-68.5-173.1119.500111.5R11 S12E8-R11 PolarHBondContact O-N 3.47Å; E8-S12 WeakPolarHBondContact O-CB 3.5Å; E8-S12 PolarHBondContact O-N 2.93Å
9Q68.8Low65.1Low143 Ų143116.7 Ų116.767%0.66859%0.591SS**Hα-helixtrans-64.6-41.8175.6-149.771.52200112.4S7 R13S7-Q9 PolarHBondContact O-N 2.98Å; Q9-R13 WeakPolarHBondContact O-CB 3.25Å; Q9-R13 WeakPolarHBondContact O-CG 3.47Å; Q9-R13 PolarHBondContact O-N 2.86Å
10E71.1Confident65.6Low97 Ų97115.7 Ų115.745%0.45359%0.587SS.*Hα-helixtrans-73-37.8176.2-70.2160.7122.600112L6 S7 R13 L14L6-E10 HydrophobicContact CB-CB 4.35Å; L6-E10 HydrophobicContact CD2-CB 3.89Å; S7-E10 VanDerWaalsContact CB-OE2 3.28Å; S7-E10 WeakPolarHBondContact CB-OE2 3.38Å; S7-E10 PolarHBondContact N-OE2 3.48Å; S7-E10 PolarHBondContact O-N 3.25Å; S7-E10 VanDerWaalsContact O-N 3.09Å; S7-E10 VanDerWaalsContact OG-CD 3.3Å; S7-E10 VanDerWaalsContact OG-CG 3.27Å; S7-E10 WeakPolarHBondContact OG-CG 3.38Å; S7-E10 PolarHBondContact OG-N 2.93Å; S7-E10 VanDerWaalsContact OG-N 3.12Å; S7-E10 PolarHBondContact OG-OE2 3.2Å; E10-R13 PolarHBondContact O-N 3.5Å; E10-L14 WeakPolarHBondContact O-CB 3.31Å; E10-L14 PolarHBondContact O-N 2.6Å
11R73.8Confident65.5Low144 Ų144117.3 Ų117.354%0.54359%0.587SS.*Hα-helixtrans-62.8-45.3174.6-169.1177-174.5171.51.1111.1L6 S7 E8 L14 E15L6-R11 HydrophobicContact CB-CB 4.44Å; S7-R11 WeakPolarHBondContact O-CB 3.45Å; S7-R11 PolarHBondContact O-N 3.07Å; E8-R11 PolarHBondContact O-N 3.47Å; R11-L14 WeakPolarHBondContact O-CB 3.43Å; R11-L14 PolarHBondContact O-N 2.85Å; R11-E15 PolarHBondContact O-N 3.17Å
12S76.2Confident67.5Low68 Ų68113.1 Ų113.148%0.47656%0.557SS.*Hα-helixtrans-65-36.5174.4-175.90000112E8 E15 A16E8-S12 WeakPolarHBondContact O-CB 3.5Å; E8-S12 PolarHBondContact O-N 2.93Å; S12-E15 PolarHBondContact O-N 2.85Å; S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.25Å; S12-A16 PolarHBondContact O-N 2.91Å
13R75.6Confident68.8Low178 Ų178119.3 Ų119.367%0.67256%0.562SS**Hα-helixtrans-67.1-36.6170.8-73.5173.999.9176.111.4112.7Q9 E10 A16 V17Q9-R13 WeakPolarHBondContact O-CB 3.25Å; Q9-R13 WeakPolarHBondContact O-CG 3.47Å; Q9-R13 PolarHBondContact O-N 2.86Å; E10-R13 PolarHBondContact O-N 3.5Å; R13-A16 PolarHBondContact O-N 3.38Å; R13-V17 WeakPolarHBondContact O-CB 3.5Å; R13-V17 WeakPolarHBondContact O-CG2 3.34Å; R13-V17 PolarHBondContact O-N 3.41Å
14L74.3Confident69.8Low83 Ų83118.1 Ų118.144%0.43555%0.55SS..Hα-helixtrans-67.1-42.4173.7-104.3157.8000111.8L6 E10 R11 V17 Q18L6-L14 HydrophobicContact CD1-CD1 3.77Å; L6-L14 HydrophobicContact CD2-CD1 4.1Å; E10-L14 WeakPolarHBondContact O-CB 3.31Å; E10-L14 PolarHBondContact O-N 2.6Å; R11-L14 WeakPolarHBondContact O-CB 3.43Å; R11-L14 PolarHBondContact O-N 2.85Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-Q18 WeakPolarHBondContact O-CB 3.4Å; L14-Q18 WeakPolarHBondContact O-CG 3.48Å; L14-Q18 PolarHBondContact O-N 2.95Å
15E79.1Confident69.8Low111 Ų111118.7 Ų118.752%0.51955%0.547SS..Hα-helixtrans-65.7-39.1172-75.2-171.5120.900112.1R11 S12 Q18 Q19R11-E15 PolarHBondContact O-N 3.17Å; S12-E15 PolarHBondContact O-N 2.85Å; E15-Q18 PolarHBondContact O-N 3.29Å; E15-Q19 WeakPolarHBondContact O-CB 3.42Å; E15-Q19 WeakPolarHBondContact O-CG 3.43Å; E15-Q19 PolarHBondContact O-N 2.85Å
16A79.4Confident69.3Low55 Ų55112.5 Ų112.546%0.45554%0.536SS..Hα-helixtrans-62.3-44.9174.300000111.3S12 R13 Q19 D20S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.25Å; S12-A16 PolarHBondContact O-N 2.91Å; R13-A16 PolarHBondContact O-N 3.38Å; A16-Q19 PolarHBondContact O-N 3.45Å; A16-D20 VanDerWaalsContact O-CB 3.26Å; A16-D20 WeakPolarHBondContact O-CB 3.3Å; A16-D20 PolarHBondContact O-N 3.46Å
17V75.3Confident67.7Low98 Ų98117.2 Ų117.259%0.59456%0.558SS**Hα-helixtrans-65.8-37.6175169.40000111.8R13 L14 W21R13-V17 WeakPolarHBondContact O-CB 3.5Å; R13-V17 WeakPolarHBondContact O-CG2 3.34Å; R13-V17 PolarHBondContact O-N 3.41Å; L14-V17 PolarHBondContact O-N 3.25Å; V17-W21 VanDerWaalsContact O-CB 3.24Å; V17-W21 WeakPolarHBondContact O-CB 3.5Å; V17-W21 PolarHBondContact O-N 2.96Å
18Q73.9Confident65.7Low99 Ų99119.8 Ų119.846%0.46356%0.563SS.*Hα-helixtrans-70-35.8173.6-76.1-168.6300113L14 E15 R22L14-Q18 WeakPolarHBondContact O-CB 3.4Å; L14-Q18 WeakPolarHBondContact O-CG 3.48Å; L14-Q18 PolarHBondContact O-N 2.95Å; E15-Q18 PolarHBondContact O-N 3.29Å; Q18-R22 WeakPolarHBondContact O-CB 3.39Å; Q18-R22 WeakPolarHBondContact O-CG 3.41Å; Q18-R22 PolarHBondContact O-N 3.03Å
19Q71.3Confident64Low91 Ų91121.8 Ų121.843%0.42557%0.57SS.*Hα-helixtrans-68.4-41.9173.6-77.7-167.23800111.1E15 A16 R22 R23E15-Q19 WeakPolarHBondContact O-CB 3.42Å; E15-Q19 WeakPolarHBondContact O-CG 3.43Å; E15-Q19 PolarHBondContact O-N 2.85Å; A16-Q19 PolarHBondContact O-N 3.45Å; Q19-R22 CarbonylContact O-C 3.55Å; Q19-R22 PolarHBondContact O-N 3.1Å; Q19-R23 WeakPolarHBondContact O-CB 3.49Å; Q19-R23 WeakPolarHBondContact O-CG 3.42Å; Q19-R23 PolarHBondContact O-N 2.9Å
20D75Confident62.1Low96 Ų96122.6 Ų122.651%0.51357%0.574SS.*Hα-helixtrans-63.9-45.5176.6-16747000110.8A16 R22 R23 T24A16-D20 VanDerWaalsContact O-CB 3.26Å; A16-D20 WeakPolarHBondContact O-CB 3.3Å; A16-D20 PolarHBondContact O-N 3.46Å; D20-R22 VanDerWaalsContact C-N 3.26Å; D20-R22 PolarHBondContact O-N 3.22Å; D20-R23 PolarHBondContact O-N 3.42Å; D20-T24 WeakPolarHBondContact O-CB 3.47Å; D20-T24 WeakPolarHBondContact O-CG2 3.43Å; D20-T24 PolarHBondContact O-N 2.91Å; D20-T24 PolarHBondContact O-OG1 3.35Å
21W64.7Low60Low150 Ų150129.1 Ų129.157%0.56859%0.594SS**Hα-helixtrans-61.8-29.2172.8-17182.7000113.8V17V17-W21 VanDerWaalsContact O-CB 3.24Å; V17-W21 WeakPolarHBondContact O-CB 3.5Å; V17-W21 PolarHBondContact O-N 2.96Å
22R71.4Confident58Low162 Ų162127.4 Ų127.461%0.61160%0.6SS**Hα-helixtrans-79.6-27171.8-74.2171.3-173167.17.2113.5Q18 Q19 D20Q18-R22 WeakPolarHBondContact O-CB 3.39Å; Q18-R22 WeakPolarHBondContact O-CG 3.41Å; Q18-R22 PolarHBondContact O-N 3.03Å; Q19-R22 CarbonylContact O-C 3.55Å; Q19-R22 PolarHBondContact O-N 3.1Å; D20-R22 VanDerWaalsContact C-N 3.26Å; D20-R22 PolarHBondContact O-N 3.22Å
23R65.2Low55.7Low189 Ų189129.6 Ų129.671%0.71362%0.615SS**Hα-helixtrans-87-29.7179.5-73.3168.1-171.6-114.18.4113Q19 D20Q19-R23 WeakPolarHBondContact O-CB 3.49Å; Q19-R23 WeakPolarHBondContact O-CG 3.42Å; Q19-R23 PolarHBondContact O-N 2.9Å; D20-R23 PolarHBondContact O-N 3.42Å
24T60.3Low53.4Low92 Ų92130.2 Ų130.256%0.56462%0.623SS**SBendtrans-87.4-8.5-179.151.50000113.7D20D20-T24 WeakPolarHBondContact O-CB 3.47Å; D20-T24 WeakPolarHBondContact O-CG2 3.43Å; D20-T24 PolarHBondContact O-N 2.91Å; D20-T24 PolarHBondContact O-OG1 3.35Å
25R50Low51.2Low129 Ų129135.8 Ų135.849%0.48764%0.643SS.*SBendtrans-80.1123.3166.5-86.3-175.7165.7-115.5-7.9110.6M27R25-M27 PolarHBondContact O-N 2.89Å
26P39.6Very low48.9Very low98 Ų98140.8 Ų140.864%0.63666%0.658SS**  trans-68.5123.3172.727.7-33.1000110.7K28P26-K28 VanDerWaalsContact C-N 3.26Å; P26-K28 PolarHBondContact O-N 3.12Å
27M35Very low46.7Very low173 Ų173143.8 Ų143.885%0.85267%0.672SS**  trans-79.565.5177.2-79.2-160.4170.400112.8R25 F29R25-M27 PolarHBondContact O-N 2.89Å; M27-F29 PolarHBondContact O-N 3.46Å
28K33.8Very low44.6Very low108 Ų108146.8 Ų146.847%0.4769%0.685SS.*THydrogen-bonded Turntrans-72.954.2168.1-77.4-175177.91730112.5P26 D263 D266P26-K28 VanDerWaalsContact C-N 3.26Å; P26-K28 PolarHBondContact O-N 3.12Å; K28-D263 IonicContact NZ-OD1 2.92Å; K28-D263 PolarHBondContact NZ-OD1 2.68Å; K28-D263 IonicContact NZ-OD2 2.65Å; K28-D263 PolarHBondContact NZ-OD2 3.34Å; K28-D266 WeakPolarHBondContact CE-OD2 3.4Å; K28-D266 IonicContact NZ-OD2 2.8Å; K28-D266 PolarHBondContact NZ-OD2 2.9Å
29F30.3Very low42.7Very low194 Ų194149.4 Ų149.485%0.85170%0.702SS**THydrogen-bonded Turntrans-15833.7161.9-117.5-65.9000115.1M27 W31M27-F29 PolarHBondContact O-N 3.46Å; F29-W31 PolarHBondContact O-N 3.26Å
30Q28.8Very low40.9Very low160 Ų160150 Ų15075%0.74871%0.714SS**  trans-70.9121170.5-165.7175.158.900110.5T32Q30-T32 VanDerWaalsContact C-N 3.29Å; Q30-T32 HydrophobicContact CG-CG2 4.47Å; Q30-T32 PolarHBondContact O-N 2.92Å
31W27.8Very low38.9Very low234 Ų234151.7 Ų151.789%0.88673%0.728SS**  trans-62.288.1168.5-100.845.9000110F29 S33F29-W31 PolarHBondContact O-N 3.26Å; W31-S33 PolarHBondContact O-N 3.26Å
32T30.6Very low37.4Very low107 Ų107150.7 Ų150.766%0.65674%0.738SS**  trans-85.4100.8174.842.10000109.3Q30 K34Q30-T32 VanDerWaalsContact C-N 3.29Å; Q30-T32 HydrophobicContact CG-CG2 4.47Å; Q30-T32 PolarHBondContact O-N 2.92Å; T32-K34 PolarHBondContact O-N 3.5Å
33S27.6Very low35.7Very low114 Ų114147.7 Ų147.780%0.79774%0.743SS**  trans-56.398.8167.8-71.20000109.4W31 K35W31-S33 PolarHBondContact O-N 3.26Å; S33-K35 VanDerWaalsContact C-N 3.27Å; S33-K35 PolarHBondContact O-N 3.18Å
34K28.1Very low34.1Very low192 Ų192143.9 Ų143.984%0.83575%0.745SS**  trans-74.176.5-169.6-163.8166.6-174.2169.10111.3T32 R36T32-K34 PolarHBondContact O-N 3.5Å; K34-R36 PolarHBondContact O-N 2.93Å
35K27.5Very low33.1Very low200 Ų200144.8 Ų144.887%0.8775%0.752SS**PPolyproline II helixtrans-49.2125154.3-85.8-168.9171.6-172.30106.8S33S33-K35 VanDerWaalsContact C-N 3.27Å; S33-K35 PolarHBondContact O-N 3.18Å
36R31.9Very low32.3Very low216 Ų216143.1 Ų143.182%0.81576%0.76SS**PPolyproline II helixtrans-67.1143.9175.8-71-174.6174.2-165.8-1.4109.3K34K34-R36 PolarHBondContact O-N 2.93Å
37P33.5Very low32Very low117 Ų117144.5 Ų144.576%0.7677%0.767SS**PPolyproline II helixtrans-68137.1146.132.2-30.4000108.1
38D30.7Very low31.9Very low162 Ų162142 Ų14287%0.86676%0.762SS**PPolyproline II helixtrans-80.9133.4169.1-65-58.4000109.3
39D33Very low31.8Very low154 Ų154141.4 Ų141.482%0.82477%0.77SS**  trans-131.8130.5171-158.721.5000106.7
40P34.1Very low31.8Very low102 Ų102139.2 Ų139.266%0.66277%0.766SS**  trans-92.3-174.4-157.136.6-36.7000114.5
41T34Very low32Very low132 Ų132136 Ų13681%0.8176%0.762SS**  trans77.5141.8-172.682.10000113.4
42T31.8Very low32.2Very low129 Ų129132.9 Ų132.979%0.79176%0.762SS**  cis-138.8174.120.5-15.10000113.5
43S35.3Very low32.3Very low100 Ų100131.7 Ų131.770%0.69976%0.763SS**  trans65.997.1163.752.90000120.8
44S31.4Very low32.5Very low108 Ų108133.1 Ų133.176%0.75576%0.761SS**  27.3146.6111.4640000120.6
45P39.4Very low32.5Very low112 Ų112131.1 Ų131.173%0.72776%0.755SS**  cis-145.9176.534.939.8-19000119.2
46S34.8Very low32.6Very low94 Ų94127.8 Ų127.866%0.65775%0.747SS**  trans70.4105.3143.756.60000122.7
47T32.9Very low32.5Very low126 Ų126122.4 Ų122.477%0.77374%0.742SS**  90.1103.6110-560000120.4
48V33.1Very low32.5Very low122 Ų122123.2 Ų123.274%0.73975%0.745SS**  trans83.489.6137.8176.70000119.6
49S31.3Very low32.8Very low94 Ų94121.6 Ų121.666%0.65774%0.743SS**  82.1132.5108.7-61.60000123.9
50I31.2Very low32.7Very low148 Ų148119 Ų11976%0.75974%0.737SS**  trans76.787.9134.9-64.7167.6000117.1
51S31.2Very low32.6Very low94 Ų94121 Ų12166%0.65774%0.741SS**  trans38.6128.5133.165.10000120.9
52N32.9Very low32.6Very low167 Ų167120 Ų12089%0.89373%0.731SS**  -152.7167.8101.3-110.6-26.7000113.7
53A33.3Very low32.7Very low82 Ų82120.1 Ų120.168%0.67873%0.727SS**  trans-97.6178-162.500000115.1
54L30.3Very low32.7Very low145 Ų145121.1 Ų121.176%0.75973%0.729SS**  trans77.5102.8155.9-102.163.6000120.2
55E28.9Very low32.9Very low149 Ų149120.9 Ų120.970%0.69673%0.727SS**  61114.4116.5-67.4-165.6129.600122.5
56N29.4Very low32.7Very low131 Ų131120 Ų12070%0.70172%0.724SS**  74.1148.9123.9-62.4-28.5000121.8
57S29.3Very low32.7Very low103 Ų103122.9 Ų122.972%0.7273%0.73SS**  trans86.993.8159.8-42.80000118.2
58T34.3Very low32.8Very low133 Ų133121.7 Ų121.782%0.81672%0.723SS**  37.3131.7122.857.80000119.3
59P36.1Very low32.7Very low128 Ų128122.9 Ų122.983%0.83173%0.725SS**  -145.9174.276.140.1-23.6000117.9
60S31.4Very low32.6Very low99 Ų99122.7 Ų122.769%0.69272%0.723SS**  trans-53.5161.5167.3-178.10000114.3
61L32.6Very low32.6Very low144 Ų144119.9 Ų119.975%0.75472%0.717SS**  178147117.7-92.5161.9000115.4
62N34.2Very low32.4Very low111 Ų111120.9 Ų120.959%0.59472%0.724SS**  trans80.7111.2140.3-73.7-15.6000124.3
63N33.9Very low32.6Very low133 Ų133117.9 Ų117.971%0.71171%0.714SS**  85.7143.2111.9-71.6-1.5000122.3
64V34.4Very low32.2Very low121 Ų121122.6 Ų122.673%0.73372%0.719SS**  cis-161.4173-17.7940000111.6
65S35.8Very low32Very low103 Ų103120.4 Ų120.472%0.7272%0.716SS**  trans91136.2169.6-57.40000117.3
66S36.2Very low31.9Very low94 Ų94120.8 Ų120.866%0.65772%0.722SS**  cis-172.6141.6-19.148.90000110.5
67I34.1Very low31.9Very low153 Ų153118.9 Ų118.979%0.78572%0.719SS**  trans67133.1150.3-64.5162.2000116.9
68T34.5Very low31.9Very low102 Ų102119.3 Ų119.363%0.62672%0.722SS**  cis-168152.5-24.336.50000107.9
69N31.1Very low31.6Very low146 Ų146117.4 Ų117.478%0.78172%0.72SS**  trans63.6162.8148.6-65.6-0.7000118.8
70S30.4Very low31.2Very low90 Ų90115.8 Ų115.863%0.62972%0.717SS**  cis-165.9165.1-38.357.90000109.2
71S29.5Very low31.2Very low90 Ų90116.7 Ų116.763%0.62972%0.718SS**  trans47.294.6144.5630000119.9
72S27.3Very low31Very low115 Ų115114.8 Ų114.880%0.80472%0.718SS**  65.8-167.412871.80000116.7
73P36.9Very low30.6Very low103 Ų103115 Ų11567%0.66972%0.723SS**  -121.3-159.3-122.232.7-9.1000113.5
74F26.2Very low30.3Very low182 Ų182113 Ų11380%0.79873%0.725SS**  trans91.499.4179.1-71.9-96.8000117.2
75S26.2Very low30Very low99 Ų99112.6 Ų112.669%0.69273%0.727SS**  65.1155.7108.3-53.50000122.4
76L26Very low29.6Very low156 Ų156112.2 Ų112.282%0.81773%0.731SS**  trans76.785.8156-71.2163.6000119.1
77S29.1Very low29.3Very low91 Ų91115.1 Ų115.164%0.63674%0.737SS**  75.6135.2105.668.90000122.5
78S29.1Very low29.2Very low113 Ų113115.1 Ų115.179%0.7974%0.737SS**  trans62.797.9134.165.30000120.9
79A28.6Very low29.2Very low92 Ų92115.1 Ų115.176%0.7674%0.739SS**  -136.6138.8112.900000106.3
80A29Very low29.1Very low94 Ų94116.6 Ų116.678%0.77774%0.739SS**  59128.456.500000110.9
81T30.6Very low29.1Very low118 Ų118117.4 Ų117.472%0.72474%0.74SS**  cis-147.3134.822.1-55.70000107.7
82S28Very low29.1Very low105 Ų105118 Ų11873%0.73474%0.744SS**  38.715996.5-148.40000118.2
83T26.8Very low29.1Very low114 Ų114119.2 Ų119.270%0.69974%0.742SS**  trans61.598.3165.5460000120.3
84A26.6Very low28.7Very low92 Ų92120.1 Ų120.176%0.7675%0.745SS**  69.2164.9113.400000121.9
85S28.1Very low28.9Very low112 Ų112115.6 Ų115.678%0.78374%0.741SS**  trans72.8118.4-176.7-450000113.6
86A26.5Very low29Very low96 Ų96116.1 Ų116.179%0.79374%0.74SS**  cis78.9162.149.700000113.9
87I30.2Very low29.2Very low155 Ų155115.9 Ų115.980%0.79574%0.74SS**  trans84.381.7178.4-50.8170.1000115.2
88I32.7Very low29.3Very low153 Ų153119.4 Ų119.479%0.78575%0.746SS**  trans-42133.2139.3-67157.9000108.6
89P35.5Very low29.7Very low101 Ų101119.1 Ų119.166%0.65674%0.741SS**  -156.8143.89542.2-22000119.9
90F28.8Very low29.8Very low178 Ų178122.5 Ų122.578%0.78174%0.741SS**  78.1141.4126.7-86-133.2000123.9
91T29.3Very low29.9Very low107 Ų107124.8 Ų124.866%0.65674%0.74SS**  trans65.4107.5141.8520000121.6
92S28.9Very low29.9Very low103 Ų103124.8 Ų124.872%0.7274%0.735SS**  79.4163.6118.4870000117.4
93N27.8Very low30.3Very low140 Ų140126.8 Ų126.875%0.74973%0.733SS**  cis-151.7163.6-0.3-137.40.5000111.5
94V28Very low30.8Very low121 Ų121129.4 Ų129.473%0.73374%0.736SS**  trans21.9116.3147.9178.60000119.9
95A30.9Very low31.2Very low87 Ų87130.7 Ų130.772%0.71973%0.734SS**  trans-176.3132.7135.700000109.1
96T28.3Very low31.5Very low111 Ų111129.6 Ų129.668%0.68173%0.727SS**  cis65.5131.445.771.50000113.6
97N30.1Very low31.8Very low150 Ų150135.7 Ų135.780%0.80273%0.729SS**  cis-161176.79.9-113.2-14.7000112.6
98H31.3Very low32.1Very low166 Ų166132.5 Ų132.577%0.76971%0.713SS**  trans-65.2158.8170.9-80.8-80.6000114.9
99P36.9Very low32.3Very low106 Ų106129.2 Ų129.269%0.68870%0.702SS**  -117.6156.7109.5-5.526.5000112.1
100H30.8Very low32.2Very low164 Ų164130.4 Ų130.476%0.75970%0.699SS**  cis67.9139.345.6-68.4-79.9000113.5
101L32.2Very low32.4Very low142 Ų142124.8 Ų124.874%0.74369%0.685SS**  cis-142.116018.2-76.387.7000113.8
102N31.2Very low32.4Very low118 Ų118125 Ų12563%0.63168%0.681SS**  trans36153.9139.5-50.71.2000122.3
103H36.4Very low32.4Very low147 Ų147125.9 Ų125.968%0.68168%0.681SS**  cis-158143.433.5-109.5-72.6000113
104H36Very low32.5Very low168 Ų168125.8 Ų125.878%0.77869%0.686SS**  trans51.7140.7134.3-84.1-134.3000121.5
105V34.5Very low32.6Very low119 Ų119123.7 Ų123.772%0.72169%0.689SS**  cis-151.4151.314166.60000112
106S35.9Very low32.5Very low90 Ų90122.7 Ų122.763%0.62969%0.687SS**  trans-5156.5150-69.20000121.1
107R33.1Very low32.5Very low223 Ų223123.3 Ų123.384%0.84269%0.691SS**  cis-150.6153.215-106.6143.5-166.1-1656.7108.6
108I35.8Very low32.4Very low89 Ų89124 Ų12446%0.45670%0.695SS.*  cis81.4131.938.9-76.7157.8000113.4
109P36.9Very low32.2Very low84 Ų84119.4 Ų119.455%0.54569%0.692SS.*  cis-158-169.4-17.348-28.1000119
110Q34.3Very low31.8Very low126 Ų126119.8 Ų119.859%0.58970%0.698SS**  trans78.7155.1151.2-63.9168.919.300122H1736Q110-H1736 VanDerWaalsContact CG-CE1 3.43Å; Q110-H1736 WeakPolarHBondContact CG-CE1 3.36Å; Q110-H1736 WeakPolarHBondContact CG-NE2 3.3Å; Q110-H1736 PolarHBondContact OE1-CD2 3.03Å; Q110-H1736 VanDerWaalsContact OE1-CD2 3.27Å
111A31.3Very low31.9Very low59 Ų59119.2 Ų119.249%0.48870%0.7SS.*  cis-179.2-178.7-33.700000112.3H1736A111-H1736 WeakPolarHBondContact CB-CE1 3.5Å; A111-H1736 WeakPolarHBondContact CB-NE2 3.5Å
112I30.3Very low32.1Very low112 Ų112118 Ų11857%0.57470%0.7SS**  trans75.7127.2162.3-47.1125.9000114.8H1734I112-H1734 VanDerWaalsContact CD1-CE1 3.5Å; I112-H1734 WeakPolarHBondContact CD1-CE1 3.37Å; I112-H1734 VanDerWaalsContact CD1-NE2 3.35Å; I112-H1734 WeakPolarHBondContact CD1-NE2 3.41Å; I112-H1734 WeakPolarHBondContact CG1-NE2 3.43Å
113V29.7Very low32.6Very low121 Ų121117 Ų11773%0.73370%0.7SS**  cis102.1138.121.7179.10000114.1
114T30Very low32.3Very low139 Ų139117.1 Ų117.185%0.85371%0.705SS**  trans69.8156.1-169.674.20000115.6
115G28.8Very low32Very low76 Ų76116 Ų11678%0.78470%0.704SS**  cis136.5115.8-14.600000115.3
116G28.6Very low32Very low67 Ų67117.7 Ų117.769%0.69171%0.707SS**  trans106117.9157.100000118.8
117T28.2Very low31.9Very low124 Ų124118.5 Ų118.576%0.76171%0.713SS**  trans54.1137.9136.258.70000122.9
118N28.3Very low32.4Very low163 Ų163113.2 Ų113.287%0.87271%0.707SS**  trans70.2149.7161.6-49.2-29000115.8
119G28Very low32.3Very low70 Ų70115 Ų11572%0.72272%0.723SS**  cis152.4131.3-6.600000111.4
120S27.5Very low32.2Very low114 Ų114116.5 Ų116.580%0.79774%0.735SS**  trans74114.8179.2-166.80000118.4
121L32.5Very low32.3Very low153 Ų153114.4 Ų114.480%0.80174%0.74SS**  9.7150.6118.5-57.2174.1000117.9
122P37.3Very low32.5Very low116 Ų116116.4 Ų116.475%0.75376%0.756SS**  cis-150.9-139.742.539.6-13.4000114.5
123P40.5Very low32.8Very low98 Ų98115.5 Ų115.564%0.63677%0.765SS**  -129.1-170.4-72.630.6-8.9000115.4
124L30.9Very low33.1Very low149 Ų149113.6 Ų113.678%0.7876%0.762SS**  trans78.1152.1158.2-48.7-177.9000117.2
125L30.7Very low33.3Very low145 Ų145113.2 Ų113.276%0.75976%0.76SS**  cis-162-172.1-10.8-119.8172.4000111.4
126I33.6Very low33.7Very low154 Ų154114.9 Ų114.979%0.7976%0.757SS**  trans91.1122159.9-46.3-171.3000116.5
127S33Very low33.7Very low106 Ų106119.2 Ų119.274%0.74176%0.763SS**  trans-121.3166.9169.3-46.60000109.7
128P43.9Very low34Very low112 Ų112121.1 Ų121.173%0.72777%0.767SS**  -136.2142.9121.629.9-14000111.8
129T33.3Very low34.1Very low128 Ų128118.9 Ų118.979%0.78576%0.764SS**  52135.767.353.20000114.5
130S36.5Very low34.4Very low114 Ų114119 Ų11980%0.79777%0.766SS**  cis-166.4-168.1-0.644.90000108.2
131A35.5Very low34.5Very low83 Ų83123.8 Ų123.869%0.68677%0.772SS**  cis-164.7176.714.800000111.9
132A36.3Very low34.6Very low101 Ų101121.4 Ų121.484%0.83578%0.775SS**  trans69.7146.7147.700000120.1
133A36.2Very low34.4Very low92 Ų92119.3 Ų119.376%0.7677%0.774SS**  cis-161.7158.2-9.900000114.1
134A35.4Very low34.6Very low82 Ų82120.5 Ų120.568%0.67878%0.781SS**  trans57128.4151.800000120.9
135T33.4Very low34.9Very low130 Ų130121.9 Ų121.980%0.79879%0.786SS**  cis72.3149.541.371.20000115.8
136P38.1Very low35Very low111 Ų111120.1 Ų120.172%0.72179%0.786SS**  cis-139.1176.3-0.133-10000118.2
137L27.8Very low35.6Very low159 Ų159118.2 Ų118.283%0.83278%0.784SS**  trans12.8161.3147.7-7383.2000124.9
138I34.2Very low35.8Very low163 Ų163118 Ų11884%0.83678%0.782SS**  trans119.2128156.7-66163.8000111.6
139S30.5Very low35.6Very low117 Ų117119.2 Ų119.282%0.81879%0.788SS**  cis110.6111.912.1-172.90000114.5
140G34.3Very low35.6Very low73 Ų73116.4 Ų116.475%0.75378%0.784SS**  trans113127.8179.200000112.6
141K30.3Very low35.5Very low214 Ų214116.1 Ų116.193%0.9378%0.782SS**  cis102.6126.516.1-164.4178.5-176.6-179.90114.1
142A35.4Very low35.8Very low103 Ų103117 Ų11785%0.85178%0.781SS**  trans99.2143.517600000117.9
143G31.8Very low35.5Very low71 Ų71120.3 Ų120.373%0.73278%0.782SS**  trans-120.2-141.7164.700000108.9
144P46.1Very low35.2Very low123 Ų123121.8 Ų121.880%0.79978%0.778SS**  cis-132.7-164.5-2.242.4-24.5000113
145M36.3Very low35Very low179 Ų179124.1 Ų124.188%0.88278%0.783SS**  trans159.4163133.9-83.8-178.979.300112.5
146S33.9Very low35.1Very low108 Ų108122.3 Ų122.376%0.75578%0.782SS**  trans-141.6175.9-172-47.80000111
147P45.2Very low34.9Very low114 Ų114121.4 Ų121.474%0.7478%0.783SS**  -154.3170.186.742.3-23.7000117.8
148S37.8Very low34.9Very low100 Ų100120.5 Ų120.570%0.69979%0.785SS**  trans28.6135.1147.261.10000121.4
149T38.7Very low34.5Very low139 Ų139118.6 Ų118.685%0.85378%0.78SS**  cis-169176.81.310.80000106.6
150G34.3Very low34.4Very low68 Ų68119.5 Ų119.570%0.70178%0.775SS**  cis167.4-162.88.400000107.4
151S34.7Very low34.1Very low108 Ų108123.9 Ų123.976%0.75578%0.776SS**  cis-176.7156.7-24.1-98.30000108.6
152P40.8Very low33.8Very low103 Ų103121.6 Ų121.667%0.66977%0.774SS**  -141.3142.1-78.434.7-14.4000116.4
153I30.2Very low33.4Very low169 Ų169121.1 Ų121.187%0.86777%0.77SS**  trans-147128.5166.1-58.5-177.4000109.9
154N30.8Very low33.2Very low124 Ų124124 Ų12466%0.66377%0.773SS**  cis-162.5152.3-27.2-120-17.7000111
155V30.4Very low32.4Very low130 Ų130123.1 Ų123.179%0.78877%0.77SS**  trans49120.8144.3177.70000118.9
156A36.1Very low32.1Very low93 Ų93119.9 Ų119.977%0.76977%0.765SS**  cis-159.8150.9-5.700000113
157A33.6Very low32.2Very low91 Ų91119.8 Ų119.875%0.75276%0.762SS**SBendtrans-132.5160.2149.200000107.4
158T28.1Very low31.5Very low141 Ų141122.2 Ų122.287%0.86576%0.763SS**  trans87.7117.8-169.2-45.60000114.6
159V25.7Very low30.9Very low123 Ų123125.2 Ų125.275%0.74577%0.766SS**  trans-168.8115.5142.31250000109.5
160L28.5Very low30.4Very low136 Ų136123.2 Ų123.271%0.71276%0.757SS**  trans62.7158.3156.5-51.9179000118.4
161Q26.9Very low30.1Very low164 Ų164126 Ų12677%0.76676%0.755SS**  cis-156.3175.7-34.4-122.3172.1-4.500110.2
162N24.6Very low29.8Very low166 Ų166129.1 Ų129.189%0.88876%0.755SS**  trans-61.4129179.9-54.2-38.5000113.9
163A26.6Very low29.1Very low93 Ų93129.6 Ų129.677%0.76975%0.752SS**  trans-155.592.4158.100000113.4
164V27.3Very low29Very low132 Ų132130.3 Ų130.380%0.874%0.744SS**  trans52.2110141.4-172.10000120.2
165S29.7Very low28.8Very low105 Ų105129.2 Ų129.273%0.73475%0.746SS**  trans67.8129.7146.5-60.90000119
166S30.3Very low28.7Very low111 Ų111133.4 Ų133.478%0.77675%0.748SS**  cis63.6151.822.1-49.90000116.7
167P36.7Very low28.4Very low106 Ų106135.6 Ų135.669%0.68875%0.746SS**  cis-107.9-165.2-28.619.35.7000109
168Q29.5Very low28.2Very low165 Ų165137.2 Ų137.277%0.77174%0.742SS**  cis-151.2152.428.2-59.2-83.78.400106.8
169H26.4Very low28.3Very low162 Ų162138.3 Ų138.375%0.7574%0.735SS**  cis76.164.714.9-125.1-60.8000117.4
170S28.5Very low28.4Very low97 Ų97139.5 Ų139.568%0.67874%0.735SS**  trans-150.2123.6150.6-172.60000107.4
171I27.3Very low28.6Very low127 Ų127138.2 Ų138.265%0.65174%0.735SS**  71.5137.154-56.9168.7000111.1
172F28.3Very low29Very low174 Ų174135.2 Ų135.276%0.76373%0.73SS**  trans85109.1-158.2-68.9-78.6000113
173D26.5Very low29.2Very low113 Ų113134 Ų13460%0.60472%0.724SS**  cis61.1138.135.7-169.234.4000113.9
174R27.5Very low29.4Very low184 Ų184135 Ų13569%0.69472%0.72SS**  trans61.1116.6-176.1-64.2133.3-162.9-96.5-8.2114.1
175S27.4Very low29.5Very low101 Ų101133 Ų13371%0.70671%0.712SS**  53.977.75094.40000113.4
176R26.6Very low29.5Very low218 Ų218135.8 Ų135.882%0.82372%0.718SS**  trans-165.7129.6137.4-100.7137.9-160.7-98.3-2.3108.4
177L31.5Very low29.5Very low138 Ų138134.9 Ų134.972%0.72372%0.717SS**  61110.857.8-177.7148.7000110.9
178N28.8Very low29.1Very low125 Ų125134.5 Ų134.567%0.66872%0.717SS**  trans-173.7141.2155.4-88.7-31.2000105.7
179K29.2Very low29Very low165 Ų165131.4 Ų131.472%0.71771%0.714SS**  cis-158.1164.4-0.9-123.9158.8-171.5171.40105.7
180I29.5Very low29.3Very low147 Ų147128.8 Ų128.875%0.75471%0.713SS**  171.7158.460-126.3149.5000104.8
181P32.2Very low29.4Very low110 Ų110129.3 Ų129.371%0.71472%0.717SS**  cis-125.8-146.9-22.645.5-27.5000108.7
182P33.8Very low29.9Very low101 Ų101128.2 Ų128.266%0.65672%0.718SS**  trans-115.3-155-17342.7-31.8000114.2
183N30.6Very low30Very low141 Ų141124.3 Ų124.375%0.75471%0.712SS**  trans79.6147.4165.8-62.5-6.2000117.2
184T30.1Very low30.3Very low113 Ų113126 Ų12669%0.69372%0.721SS**  cis-161.5165.6-20.322.20000109.7
185S29.4Very low30.4Very low90 Ų90121.6 Ų121.663%0.62973%0.725SS**  trans57.8119.3141.162.70000122.4
186L28.9Very low30.8Very low163 Ų163120.6 Ų120.685%0.85372%0.722SS**  trans61.3132.1132.8-81.381.3000121.6
187A30.2Very low31.2Very low92 Ų92117 Ų11776%0.7672%0.72SS**  trans69.5153.4136.300000119.6
188S28.4Very low31.4Very low99 Ų99117.4 Ų117.469%0.69272%0.722SS**  cis-167.7163.5-24.7540000110.9
189S28.4Very low31.8Very low100 Ų100117.8 Ų117.870%0.69972%0.724SS**  trans64.9143.7143570000122.6
190S32.2Very low32.1Very low106 Ų106119.8 Ų119.874%0.74173%0.733SS**  trans77.2114.816565.10000118.2
191S30.9Very low32.4Very low108 Ų108117.3 Ų117.376%0.75573%0.726SS**  cis81.3153.619.695.30000116.1
192P37.6Very low32.4Very low104 Ų104119.8 Ų119.868%0.67573%0.732SS**  cis-138.2-153.6-3.639.8-18.4000113.5
193S29.5Very low32.3Very low92 Ų92123.9 Ų123.964%0.64374%0.742SS**  trans66139.3153.9450000119.4
194D33.4Very low32.5Very low148 Ų148125.4 Ų125.479%0.79175%0.745SS**  cis-148139.3-5.5-90.9-30000108.3
195A30.8Very low32.9Very low93 Ų93131.7 Ų131.777%0.76976%0.756SS**  63.2135.689.400000114.6
196A34.9Very low33.4Very low79 Ų79136 Ų13665%0.65377%0.766SS**  cis-157.51608.300000113
197N35.5Very low33.8Very low144 Ų144131.7 Ų131.777%0.7775%0.749SS**  trans55.5147.9149.3-57-3000119.4
198N35.7Very low34.4Very low146 Ų146133.7 Ų133.778%0.78175%0.746SS**  cis-153.3155.328.8-144.3-3.5000112.7
199D35.6Very low35.1Very low132 Ų132136.2 Ų136.271%0.70675%0.751SS**  trans-77.4154.8-172.4-62-85.5000116.3
200K36.7Very low35.8Very low208 Ų208134 Ų13490%0.90474%0.735SS**  -171.4125.7109.8-100.6161.5-172.9177.80113.8
201P36.1Very low36.4Very low94 Ų94133.8 Ų133.861%0.6173%0.726SS**  trans-106.6154.5-173.939.3-35.3000115.8
202I31Very low37.1Very low163 Ų163133.7 Ų133.784%0.83672%0.72SS**  trans33.896135.8-48.2174.6000116.9
203Q31.5Very low37.3Very low187 Ų187138.5 Ų138.587%0.87473%0.725SS**  trans-136.498.8158.6-74.7-171.5-13.400110.9
204Q35.2Very low38.1Very low172 Ų172138.9 Ų138.980%0.80472%0.724SS**SBendtrans-169-30155.4-118.7171.2-4.900115H206Q204-H206 VanDerWaalsContact C-N 3.34Å; Q204-H206 PolarHBondContact O-N 3.38Å
205R38.2Very low38.5Very low245 Ų245138.5 Ų138.593%0.92572%0.721SS**THydrogen-bonded Turntrans-82.38.1-171.9-96.9-178.8171151.7-0.3117.3
206H40.2Very low39Very low182 Ų182139.9 Ų139.984%0.84372%0.72SS**THydrogen-bonded Turntrans-118-2.1179.7-116.3-83.9000115.5Q204Q204-H206 VanDerWaalsContact C-N 3.34Å; Q204-H206 PolarHBondContact O-N 3.38Å
207S37.2Very low39.3Very low72 Ų72144.2 Ų144.250%0.50373%0.726SS.*SBendtrans-93.7-6.4-174.1-168.20000115.3S210 N211S207-S210 PolarHBondContact O-OG 2.99Å; S207-N211 PolarHBondContact O-OD1 3.23Å
208I43.8Very low39.7Very low133 Ų133141.3 Ų141.368%0.68272%0.722SS**Hα-helixtrans-94.7-28.6-173-60.9177.3000111.5
209L42.3Very low40Very low153 Ų153143 Ų14380%0.80173%0.728SS**Hα-helixtrans-90.5-7.2-179.7-66.3172.6000114.3
210S42.7Very low40.5Very low52 Ų52142.5 Ų142.536%0.36473%0.73SS.*Hα-helixtrans-79-45.4171.146.10000112.1S207 V212 R213 T214S207-S210 PolarHBondContact O-OG 2.99Å; S210-V212 PolarHBondContact O-N 3.32Å; S210-R213 WeakPolarHBondContact O-CB 3.05Å; S210-R213 PolarHBondContact O-N 3.03Å; S210-R213 VanDerWaalsContact O-N 3.09Å; S210-T214 PolarHBondContact O-N 3.39Å; S210-T214 PolarHBondContact O-OG1 3.15Å
211N45.7Very low40.7Very low103 Ų103139.9 Ų139.955%0.55173%0.725SS**Hα-helixtrans-74.6-31-163-62.811000112.4S207 R213 T214S207-N211 PolarHBondContact O-OD1 3.23Å; N211-R213 PolarHBondContact O-N 3.33Å; N211-T214 PolarHBondContact O-N 2.89Å
212V44.6Very low41.1Very low106 Ų106143.9 Ų143.964%0.64274%0.741SS**Hα-helixtrans-64.3-30.1172.7-176.40000111.6S210 T216S210-V212 PolarHBondContact O-N 3.32Å; V212-T216 PolarHBondContact O-OG1 2.81Å
213R43.2Very low41.6Very low204 Ų204138.8 Ų138.877%0.7773%0.73SS**Hα-helixtrans-81.1-23.3-177.9-148.4-179.9-159106.53.6113.5S210 N211S210-R213 WeakPolarHBondContact O-CB 3.05Å; S210-R213 PolarHBondContact O-N 3.03Å; S210-R213 VanDerWaalsContact O-N 3.09Å; N211-R213 PolarHBondContact O-N 3.33Å
214T46.6Very low42.1Very low101 Ų101136.5 Ų136.562%0.6273%0.731SS**Hα-helixtrans-80.7-32.8-180-48.50000112.1S210 N211 Q217S210-T214 PolarHBondContact O-N 3.39Å; S210-T214 PolarHBondContact O-OG1 3.15Å; N211-T214 PolarHBondContact O-N 2.89Å; T214-Q217 PolarHBondContact O-N 3.26Å
215L41.1Very low42.6Very low140 Ų140139.6 Ų139.673%0.73374%0.735SS**Hα-helixtrans-71.4-33.3-175.2-146.373.7000112.9Q217L215-Q217 PolarHBondContact O-N 3.26Å
216T41.5Very low42.6Very low122 Ų122134.8 Ų134.875%0.74873%0.733SS**THydrogen-bonded Turntrans-73.6-7-179.4-23.10000114V212V212-T216 PolarHBondContact O-OG1 2.81Å
217Q39.9Very low42.8Very low169 Ų169131.2 Ų131.279%0.7972%0.72SS**THydrogen-bonded Turntrans-111.64.4-172.7-153.4166.11600113.7T214 L215T214-Q217 PolarHBondContact O-N 3.26Å; L215-Q217 PolarHBondContact O-N 3.26Å
218A44.4Very low43.6Very low83 Ų83132.2 Ų132.269%0.68672%0.723SS**SBendtrans-107.80.1-173.500000115.2
219M42.6Very low44Very low182 Ų182128.4 Ų128.490%0.89772%0.716SS**SBendtrans-106.622.3-176-74.4-177.4150.500114.3
220V45.6Very low44.6Very low122 Ų122127.6 Ų127.674%0.73971%0.713SS**SBendtrans-123.180.2175.1-174.90000109.3
221N41.9Very low45.1Very low153 Ų153128 Ų12882%0.81871%0.711SS**  trans165.593151.8-87.1-25.5000110.4
222D43.3Very low45.4Very low177 Ų177127.2 Ų127.295%0.94771%0.705SS**  trans-158.2151.7141.4-121.9-34.7000111.3
223G42Very low46Very low57 Ų57128 Ų12859%0.58871%0.705SS**  trans-93152.4-166.100000115.4
224P41.8Very low46.7Very low138 Ų138125.5 Ų125.590%0.89670%0.7SS**  trans-74.4139.7-175.530.5-35.3000113
225R45.4Very low47.2Very low237 Ų237124.9 Ų124.989%0.89469%0.691SS**  trans-111.1133.4159.3-75.5-171.8172-159.3-1.7109.5
226T39.9Very low48.2Very low144 Ų144122.1 Ų122.188%0.88368%0.68SS**PPolyproline II helixtrans-72.9123.5176.849.30000110.7
227L43.5Very low49.4Very low107 Ų107119.1 Ų119.156%0.5666%0.664SS**PPolyproline II helixtrans-100.3163.2172.1-73.3170.6000111.1D231 M232 M235L227-D231 HydrophobicContact CB-CB 3.99Å; L227-M232 HydrophobicContact CB-CE 4.34Å; L227-M235 HydrophobicContact CD1-SD 3.88Å
228T53.6Low50.7Low94 Ų94117.7 Ų117.758%0.57766%0.657SS**PPolyproline II helixtrans-88.9167.8-169.21.70000112.5D230 D231 M232T228-D230 VanDerWaalsContact C-N 3.34Å; T228-D230 PolarHBondContact O-N 3.21Å; T228-D231 WeakPolarHBondContact CA-OD2 3.47Å; T228-D231 VanDerWaalsContact CB-OD2 3.3Å; T228-D231 WeakPolarHBondContact CB-OD2 3.45Å; T228-D231 PolarHBondContact N-OD2 3.09Å; T228-D231 WeakPolarHBondContact O-CA 3.31Å; T228-D231 WeakPolarHBondContact O-CB 3.48Å; T228-D231 PolarHBondContact O-N 3.46Å; T228-D231 PolarHBondContact OG1-OD2 3.47Å; T228-M232 PolarHBondContact O-N 2.83Å; T228-M232 VanDerWaalsContact O-N 3.07Å
229G52.4Low51.8Low52 Ų52118 Ų11854%0.53665%0.645SS.*Hα-helixtrans-56.4-43.6-175.500000113.8D231 M232 D233G229-D231 VanDerWaalsContact C-N 3.25Å; G229-D231 PolarHBondContact O-N 2.75Å; G229-M232 WeakPolarHBondContact O-CB 3.4Å; G229-M232 PolarHBondContact O-N 3.28Å; G229-M232 VanDerWaalsContact O-N 3.09Å; G229-D233 PolarHBondContact O-N 2.94Å
230D54.3Low53.2Low136 Ų136114 Ų11473%0.72762%0.624SS**Hα-helixtrans-68.6-24.2178.3-50-60.3000112.9T228 K234T228-D230 VanDerWaalsContact C-N 3.34Å; T228-D230 PolarHBondContact O-N 3.21Å; D230-K234 PolarHBondContact O-N 3.49Å
231D53.5Low54.6Low60 Ų60115.8 Ų115.832%0.32162%0.617SS.*Hα-helixtrans-76.3-31.5172.5-55.1-62.6000111.3L227 T228 G229 K234 M235L227-D231 HydrophobicContact CB-CB 3.99Å; T228-D231 WeakPolarHBondContact CA-OD2 3.47Å; T228-D231 VanDerWaalsContact CB-OD2 3.3Å; T228-D231 WeakPolarHBondContact CB-OD2 3.45Å; T228-D231 PolarHBondContact N-OD2 3.09Å; T228-D231 WeakPolarHBondContact O-CA 3.31Å; T228-D231 WeakPolarHBondContact O-CB 3.48Å; T228-D231 PolarHBondContact O-N 3.46Å; T228-D231 PolarHBondContact OG1-OD2 3.47Å; G229-D231 VanDerWaalsContact C-N 3.25Å; G229-D231 PolarHBondContact O-N 2.75Å; D231-K234 PolarHBondContact O-N 3.08Å; D231-M235 WeakPolarHBondContact O-CB 3.43Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.41Å
232M51.9Low56.1Low87 Ų87111.2 Ų111.243%0.42960%0.601SS.*Hα-helixtrans-66.5-46174.7-66.8-77.592.900111.4L227 T228 G229 K234 M235 V236L227-M232 HydrophobicContact CB-CE 4.34Å; T228-M232 PolarHBondContact O-N 2.83Å; T228-M232 VanDerWaalsContact O-N 3.07Å; G229-M232 WeakPolarHBondContact O-CB 3.4Å; G229-M232 PolarHBondContact O-N 3.28Å; G229-M232 VanDerWaalsContact O-N 3.09Å; M232-K234 VanDerWaalsContact C-N 3.27Å; M232-K234 PolarHBondContact O-N 2.96Å; M232-M235 HydrophobicContact CE-CE 4.23Å; M232-M235 HydrophobicContact CE-SD 3.57Å; M232-M235 VanDerWaalsContact CE-SD 3.57Å; M232-M235 PolarHBondContact O-N 3.39Å; M232-V236 WeakPolarHBondContact O-CB 3.17Å; M232-V236 VanDerWaalsContact O-CG2 3.3Å; M232-V236 WeakPolarHBondContact O-CG2 3.43Å; M232-V236 PolarHBondContact O-N 3.24Å
233D58.5Low57.7Low122 Ų122110.3 Ų110.365%0.65258%0.584SS**Hα-helixtrans-63.4-34.5176.5-79.4-14.4000112.1G229 S237G229-D233 PolarHBondContact O-N 2.94Å; D233-S237 WeakPolarHBondContact O-CB 3.45Å; D233-S237 PolarHBondContact O-N 3.28Å
234K57.5Low59.3Low152 Ų152113.3 Ų113.366%0.66158%0.581SS**Hα-helixtrans-68.3-47.6170.9-89.1-169.7170.8-172.50113.1D230 D231 M232 V236 S237 E238D230-K234 PolarHBondContact O-N 3.49Å; D231-K234 PolarHBondContact O-N 3.08Å; M232-K234 VanDerWaalsContact C-N 3.27Å; M232-K234 PolarHBondContact O-N 2.96Å; K234-V236 VanDerWaalsContact C-N 3.27Å; K234-V236 PolarHBondContact O-N 2.93Å; K234-S237 CarbonylContact O-C 3.59Å; K234-S237 PolarHBondContact O-N 3.15Å; K234-S237 VanDerWaalsContact O-N 3.08Å; K234-E238 PolarHBondContact O-N 3.07Å
235M56.9Low60.9Low89 Ų89113.8 Ų113.844%0.43857%0.571SS.*Hα-helixtrans-59.1-40.2176.3-81.6-176.559.300111.2L227 D231 M232 E238 E239L227-M235 HydrophobicContact CD1-SD 3.88Å; D231-M235 WeakPolarHBondContact O-CB 3.43Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.41Å; M232-M235 HydrophobicContact CE-CE 4.23Å; M232-M235 HydrophobicContact CE-SD 3.57Å; M232-M235 VanDerWaalsContact CE-SD 3.57Å; M232-M235 PolarHBondContact O-N 3.39Å; M235-E238 PolarHBondContact O-N 2.87Å; M235-E239 WeakPolarHBondContact O-CB 3.26Å; M235-E239 PolarHBondContact O-N 2.81Å
236V61Low62.2Low81 Ų81108.1 Ų108.149%0.49156%0.555SS.*Hα-helixtrans-64.6-40.6173.8170.80000111.1M232 K234 E240M232-V236 WeakPolarHBondContact O-CB 3.17Å; M232-V236 VanDerWaalsContact O-CG2 3.3Å; M232-V236 WeakPolarHBondContact O-CG2 3.43Å; M232-V236 PolarHBondContact O-N 3.24Å; K234-V236 VanDerWaalsContact C-N 3.27Å; K234-V236 PolarHBondContact O-N 2.93Å; V236-E240 VanDerWaalsContact O-CB 3.26Å; V236-E240 WeakPolarHBondContact O-CB 3.17Å; V236-E240 PolarHBondContact O-N 3.26Å
237S67.4Low63.9Low59 Ų59107.5 Ų107.541%0.41354%0.542SS..Hα-helixtrans-71.9-26.1177.7-157.50000114.5D233 K234 R241D233-S237 WeakPolarHBondContact O-CB 3.45Å; D233-S237 PolarHBondContact O-N 3.28Å; K234-S237 CarbonylContact O-C 3.59Å; K234-S237 PolarHBondContact O-N 3.15Å; K234-S237 VanDerWaalsContact O-N 3.08Å; S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.84Å; S237-R241 PolarHBondContact O-NH1 2.68Å; S237-R241 PolarHBondContact OG-NH1 3.13Å
238E67Low65.6Low139 Ų139107.8 Ų107.865%0.6554%0.539SS*.Hα-helixtrans-84.5-38171.7-72.5-171142.400111.9K234 M235 R241 A242K234-E238 PolarHBondContact O-N 3.07Å; M235-E238 PolarHBondContact O-N 2.87Å; E238-R241 WeakPolarHBondContact O-CB 3.3Å; E238-R241 PolarHBondContact O-N 3.16Å; E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 2.94Å
239E67.7Low66.8Low90 Ų90112.4 Ų112.442%0.42155%0.545SS..Hα-helixtrans-66.9-38.6174.3-165.5-172.6148.300111.2M235 R241 A242 R243M235-E239 WeakPolarHBondContact O-CB 3.26Å; M235-E239 PolarHBondContact O-N 2.81Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 2.94Å; E239-A242 PolarHBondContact O-N 3.09Å; E239-R243 WeakPolarHBondContact O-CB 3.42Å; E239-R243 VanDerWaalsContact O-CG 3.22Å; E239-R243 WeakPolarHBondContact O-CG 3.29Å; E239-R243 PolarHBondContact O-N 3.24Å; E239-R243 IonicContact OE1-CZ 2.67Å; E239-R243 IonicContact OE1-NE 2.69Å; E239-R243 PolarHBondContact OE1-NE 3.04Å; E239-R243 IonicContact OE1-NH2 2.66Å; E239-R243 PolarHBondContact OE1-NH2 2.81Å
240E71.4Confident68Low97 Ų97115.2 Ų115.245%0.45355%0.545SS..Hα-helixtrans-69.6-30.6174.7-159.6-173.6131.100112.1V236 K244V236-E240 VanDerWaalsContact O-CB 3.26Å; V236-E240 WeakPolarHBondContact O-CB 3.17Å; V236-E240 PolarHBondContact O-N 3.26Å; E240-K244 WeakPolarHBondContact O-CB 3.48Å; E240-K244 WeakPolarHBondContact O-CG 3.39Å; E240-K244 PolarHBondContact O-N 2.84Å; E240-K244 IonicContact OE1-NZ 3.13Å; E240-K244 PolarHBondContact OE1-NZ 3.16Å
241R74.8Confident69Low160 Ų160114.6 Ų114.660%0.60454%0.537SS*.Hα-helixtrans-66.1-47.8167.8-82.6-178.8-178.577.7-1.6111.6S237 E238 E239 R243 K244 E245S237-R241 WeakPolarHBondContact O-CG 3.47Å; S237-R241 PolarHBondContact O-N 2.84Å; S237-R241 PolarHBondContact O-NH1 2.68Å; S237-R241 PolarHBondContact OG-NH1 3.13Å; E238-R241 WeakPolarHBondContact O-CB 3.3Å; E238-R241 PolarHBondContact O-N 3.16Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 2.94Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 2.9Å; R241-K244 PolarHBondContact O-N 2.9Å; R241-E245 WeakPolarHBondContact O-CB 3.48Å; R241-E245 PolarHBondContact O-N 3.14Å
242A74.5Confident70Confident57 Ų57116.9 Ų116.947%0.47155%0.546SS..Hα-helixtrans-61.5-39.6178.300000111.8E238 E239 E245 Q246E238-A242 WeakPolarHBondContact O-CB 3.41Å; E238-A242 PolarHBondContact O-N 2.94Å; E239-A242 PolarHBondContact O-N 3.09Å; A242-E245 PolarHBondContact O-N 2.76Å; A242-Q246 VanDerWaalsContact O-CB 3.3Å; A242-Q246 WeakPolarHBondContact O-CB 3.33Å; A242-Q246 PolarHBondContact O-N 2.98Å
243R77.3Confident71.2Confident158 Ų158117.5 Ų117.560%0.59655%0.548SS*.Hα-helixtrans-62.3-48.3172.7-74.6168.6178.8-128.27.9111.4E239 R241 E245 Q246 E247E239-R243 WeakPolarHBondContact O-CB 3.42Å; E239-R243 VanDerWaalsContact O-CG 3.22Å; E239-R243 WeakPolarHBondContact O-CG 3.29Å; E239-R243 PolarHBondContact O-N 3.24Å; E239-R243 IonicContact OE1-CZ 2.67Å; E239-R243 IonicContact OE1-NE 2.69Å; E239-R243 PolarHBondContact OE1-NE 3.04Å; E239-R243 IonicContact OE1-NH2 2.66Å; E239-R243 PolarHBondContact OE1-NH2 2.81Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 2.9Å; R243-E245 VanDerWaalsContact C-N 3.35Å; R243-E245 PolarHBondContact O-N 3.44Å; R243-Q246 PolarHBondContact O-N 2.89Å; R243-E247 WeakPolarHBondContact O-CB 3.36Å; R243-E247 PolarHBondContact O-N 2.78Å
244K75.1Confident72Confident121 Ų121115.6 Ų115.653%0.52653%0.534SS..Hα-helixtrans-64.7-35177.3-80.5169171.1160.50113.4E240 R241 K248E240-K244 WeakPolarHBondContact O-CB 3.48Å; E240-K244 WeakPolarHBondContact O-CG 3.39Å; E240-K244 PolarHBondContact O-N 2.84Å; E240-K244 IonicContact OE1-NZ 3.13Å; E240-K244 PolarHBondContact OE1-NZ 3.16Å; R241-K244 PolarHBondContact O-N 2.9Å; K244-K248 VanDerWaalsContact O-CB 3.3Å; K244-K248 WeakPolarHBondContact O-CB 3.48Å; K244-K248 PolarHBondContact O-N 2.83Å
245E75.1Confident72.9Confident148 Ų148110.2 Ų110.269%0.69252%0.518SS*.Hα-helixtrans-77.4-31176.8-168.2157.7-156.100112.3R241 A242 R243 R249R241-E245 WeakPolarHBondContact O-CB 3.48Å; R241-E245 PolarHBondContact O-N 3.14Å; A242-E245 PolarHBondContact O-N 2.76Å; R243-E245 VanDerWaalsContact C-N 3.35Å; R243-E245 PolarHBondContact O-N 3.44Å; E245-R249 WeakPolarHBondContact O-CB 3.44Å; E245-R249 PolarHBondContact O-N 3.07Å
246Q72.4Confident73.7Confident117 Ų117108.5 Ų108.555%0.54752%0.518SS..Hα-helixtrans-70.9-43.1168.5-179.4171.6-25.400111.9A242 R243 R249 E250A242-Q246 VanDerWaalsContact O-CB 3.3Å; A242-Q246 WeakPolarHBondContact O-CB 3.33Å; A242-Q246 PolarHBondContact O-N 2.98Å; R243-Q246 PolarHBondContact O-N 2.89Å; Q246-R249 CarbonylContact O-C 3.55Å; Q246-R249 WeakPolarHBondContact O-CA 3.37Å; Q246-R249 WeakPolarHBondContact O-CB 3.18Å; Q246-R249 PolarHBondContact O-N 2.81Å; Q246-E250 HydrophobicContact CG-CG 4.4Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.32Å; Q246-E250 PolarHBondContact NE2-OE1 3.01Å; Q246-E250 PolarHBondContact O-N 3.2Å
247E76Confident74.2Confident131 Ų131112.1 Ų112.161%0.61252%0.523SS*.Hα-helixtrans-59.5-47.6176.9-177.3165.4-133.100110.8R243 R249 E250 E251R243-E247 WeakPolarHBondContact O-CB 3.36Å; R243-E247 PolarHBondContact O-N 2.78Å; E247-R249 PolarHBondContact O-N 2.76Å; E247-E250 PolarHBondContact O-N 3.46Å; E247-E251 VanDerWaalsContact O-CB 3.31Å; E247-E251 WeakPolarHBondContact O-CB 3.49Å; E247-E251 PolarHBondContact O-N 2.92Å
248K79Confident74.1Confident114 Ų114112.7 Ų112.750%0.49652%0.516SS..Hα-helixtrans-57.7-33.4171-178.9174.3-179.7-66.60113.1K244 E252K244-K248 VanDerWaalsContact O-CB 3.3Å; K244-K248 WeakPolarHBondContact O-CB 3.48Å; K244-K248 PolarHBondContact O-N 2.83Å; K248-E252 IonicContact NZ-OE1 2.64Å; K248-E252 PolarHBondContact NZ-OE1 3.31Å; K248-E252 WeakPolarHBondContact O-CB 3.2Å; K248-E252 WeakPolarHBondContact O-CG 3.26Å; K248-E252 PolarHBondContact O-N 3.12Å
249R78.9Confident73.8Confident190 Ų190111.2 Ų111.272%0.71751%0.511SS*.Hα-helixtrans-79.6-37.4-179.7-158.6179.1-156.9164.17.6112.6E245 Q246 E247 E251 E252 E253E245-R249 WeakPolarHBondContact O-CB 3.44Å; E245-R249 PolarHBondContact O-N 3.07Å; Q246-R249 CarbonylContact O-C 3.55Å; Q246-R249 WeakPolarHBondContact O-CA 3.37Å; Q246-R249 WeakPolarHBondContact O-CB 3.18Å; Q246-R249 PolarHBondContact O-N 2.81Å; E247-R249 PolarHBondContact O-N 2.76Å; R249-E251 VanDerWaalsContact C-N 3.28Å; R249-E252 PolarHBondContact O-N 3.15Å; R249-E253 WeakPolarHBondContact O-CB 3.4Å; R249-E253 PolarHBondContact O-N 3.28Å
250E76.6Confident73.1Confident112 Ų112113 Ų11352%0.52352%0.523SS..Hα-helixtrans-67.9-30.8169.9-72.9-178.8-155.600111.2Q246 E247 K254Q246-E250 HydrophobicContact CG-CG 4.4Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.32Å; Q246-E250 PolarHBondContact NE2-OE1 3.01Å; Q246-E250 PolarHBondContact O-N 3.2Å; E247-E250 PolarHBondContact O-N 3.46Å; E250-K254 WeakPolarHBondContact O-CB 3.4Å; E250-K254 PolarHBondContact O-N 3.38Å
251E75.8Confident72.4Confident122 Ų122112.5 Ų112.557%0.5753%0.527SS*.Hα-helixtrans-72.3-44.6171.3-175.9166.5-118.700112.5E247 R249 E253 K254 A255E247-E251 VanDerWaalsContact O-CB 3.31Å; E247-E251 WeakPolarHBondContact O-CB 3.49Å; E247-E251 PolarHBondContact O-N 2.92Å; R249-E251 VanDerWaalsContact C-N 3.28Å; E251-E253 VanDerWaalsContact C-N 3.33Å; E251-E253 PolarHBondContact O-N 2.95Å; E251-K254 CarbonylContact O-C 3.56Å; E251-K254 PolarHBondContact O-N 3.23Å; E251-A255 VanDerWaalsContact O-CB 3.31Å; E251-A255 WeakPolarHBondContact O-CB 3.43Å; E251-A255 PolarHBondContact O-N 3.07Å
252E76Confident71.2Confident108 Ų108110.7 Ų110.751%0.50553%0.525SS..Hα-helixtrans-60.6-40.2171.6-80.5175.1-175.900111.9K248 R249 A255 A256K248-E252 IonicContact NZ-OE1 2.64Å; K248-E252 PolarHBondContact NZ-OE1 3.31Å; K248-E252 WeakPolarHBondContact O-CB 3.2Å; K248-E252 WeakPolarHBondContact O-CG 3.26Å; K248-E252 PolarHBondContact O-N 3.12Å; R249-E252 PolarHBondContact O-N 3.15Å; E252-A255 PolarHBondContact O-N 3.48Å; E252-A256 WeakPolarHBondContact O-CB 3.44Å; E252-A256 PolarHBondContact O-N 3.04Å
253E76Confident70Confident100 Ų100112 Ų11247%0.46753%0.525SS..Hα-helixtrans-69.8-38.4174.3-163.9-17615300111.9R249 E251 A255 A256 R257R249-E253 WeakPolarHBondContact O-CB 3.4Å; R249-E253 PolarHBondContact O-N 3.28Å; E251-E253 VanDerWaalsContact C-N 3.33Å; E251-E253 PolarHBondContact O-N 2.95Å; E253-A255 VanDerWaalsContact C-N 3.33Å; E253-A255 PolarHBondContact O-N 2.97Å; E253-A256 PolarHBondContact O-N 2.74Å; E253-R257 WeakPolarHBondContact O-CB 3.23Å; E253-R257 VanDerWaalsContact O-CG 3.26Å; E253-R257 WeakPolarHBondContact O-CG 3.47Å; E253-R257 PolarHBondContact O-N 3.39Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 2.79Å; E253-R257 PolarHBondContact OE1-NE 2.97Å; E253-R257 IonicContact OE1-NH2 2.67Å; E253-R257 PolarHBondContact OE1-NH2 3.28Å
254K76.4Confident68.6Low83 Ų83109.2 Ų109.236%0.36152%0.521SS..Hα-helixtrans-64.6-37173.1-177.1-178.5-68.1178.40111.4E250 E251 R257 R258 K1592E250-K254 WeakPolarHBondContact O-CB 3.4Å; E250-K254 PolarHBondContact O-N 3.38Å; E251-K254 CarbonylContact O-C 3.56Å; E251-K254 PolarHBondContact O-N 3.23Å; K254-R257 CarbonylContact O-C 3.59Å; K254-R257 PolarHBondContact O-N 3.03Å; K254-R258 WeakPolarHBondContact O-CG 3.4Å; K254-R258 PolarHBondContact O-N 2.92Å; K254-K1592 PolarHBondContact NZ-O 3.4Å
255A75.6Confident67.2Low39 Ų39110.7 Ų110.732%0.32253%0.528SS..Hα-helixtrans-67.4-42.9174.300000111.5E251 E252 E253 R257 R258 I259E251-A255 VanDerWaalsContact O-CB 3.31Å; E251-A255 WeakPolarHBondContact O-CB 3.43Å; E251-A255 PolarHBondContact O-N 3.07Å; E252-A255 PolarHBondContact O-N 3.48Å; E253-A255 VanDerWaalsContact C-N 3.33Å; E253-A255 PolarHBondContact O-N 2.97Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.24Å; A255-R258 WeakPolarHBondContact O-CB 3.27Å; A255-R258 PolarHBondContact O-N 2.91Å; A255-I259 WeakPolarHBondContact O-CG1 3.41Å; A255-I259 PolarHBondContact O-N 2.93Å
256A74.6Confident66Low53 Ų53108 Ų10844%0.43852%0.518SS..Hα-helixtrans-59.8-43.1171.800000111.9E252 E253 I259 D260E252-A256 WeakPolarHBondContact O-CB 3.44Å; E252-A256 PolarHBondContact O-N 3.04Å; E253-A256 PolarHBondContact O-N 2.74Å; A256-I259 PolarHBondContact O-N 3.09Å; A256-D260 PolarHBondContact O-N 3.3Å
257R70.9Confident64.9Low157 Ų157103.5 Ų103.559%0.59250%0.502SS*.Hα-helixtrans-68.4-31.1174.9-69.2170.5-179.1-141.110.5113.2E253 K254 A255 V261E253-R257 WeakPolarHBondContact O-CB 3.23Å; E253-R257 VanDerWaalsContact O-CG 3.26Å; E253-R257 WeakPolarHBondContact O-CG 3.47Å; E253-R257 PolarHBondContact O-N 3.39Å; E253-R257 IonicContact OE1-CZ 2.68Å; E253-R257 IonicContact OE1-NE 2.79Å; E253-R257 PolarHBondContact OE1-NE 2.97Å; E253-R257 IonicContact OE1-NH2 2.67Å; E253-R257 PolarHBondContact OE1-NH2 3.28Å; K254-R257 CarbonylContact O-C 3.59Å; K254-R257 PolarHBondContact O-N 3.03Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.24Å; R257-V261 WeakPolarHBondContact O-CB 3.37Å; R257-V261 VanDerWaalsContact O-CG2 3.26Å; R257-V261 WeakPolarHBondContact O-CG2 3.28Å; R257-V261 PolarHBondContact O-N 2.99Å; R257-V261 VanDerWaalsContact O-N 3.14Å
258R65.9Low63.7Low70 Ų70104.3 Ų104.326%0.26451%0.505SS..Hα-helixtrans-62.5-46169.3-77.9173.5179.6-1760.6110.2K254 A255 V261 E262 G1593 D1596K254-R258 WeakPolarHBondContact O-CG 3.4Å; K254-R258 PolarHBondContact O-N 2.92Å; A255-R258 WeakPolarHBondContact O-CB 3.27Å; A255-R258 PolarHBondContact O-N 2.91Å; R258-V261 PolarHBondContact O-N 3.49Å; R258-V261 VanDerWaalsContact O-N 3.17Å; R258-E262 WeakPolarHBondContact O-CG 3.43Å; R258-E262 PolarHBondContact O-N 2.85Å; R258-G1593 VanDerWaalsContact CZ-O 3.31Å; R258-G1593 PolarHBondContact NE-O 2.79Å; R258-G1593 PolarHBondContact NH2-O 3.21Å; R258-D1596 IonicContact CZ-OD1 2.85Å; R258-D1596 VanDerWaalsContact CZ-OD1 3.24Å; R258-D1596 IonicContact CZ-OD2 2.66Å; R258-D1596 VanDerWaalsContact NH1-CG 3.26Å; R258-D1596 IonicContact NH1-OD1 2.82Å; R258-D1596 PolarHBondContact NH1-OD1 3.36Å; R258-D1596 IonicContact NH1-OD2 2.88Å; R258-D1596 PolarHBondContact NH1-OD2 2.8Å; R258-D1596 IonicContact NH2-OD1 2.83Å; R258-D1596 PolarHBondContact NH2-OD1 3.37Å; R258-D1596 IonicContact NH2-OD2 3.18Å
259I59.8Low63Low108 Ų108103.8 Ų103.855%0.55451%0.505SS*.Hα-helixtrans-62-45.7179-67.1162.8000111.2A255 A256 V261 E262 D263A255-I259 WeakPolarHBondContact O-CG1 3.41Å; A255-I259 PolarHBondContact O-N 2.93Å; A256-I259 PolarHBondContact O-N 3.09Å; I259-V261 VanDerWaalsContact C-N 3.28Å; I259-V261 PolarHBondContact O-N 3.21Å; I259-E262 PolarHBondContact O-N 2.93Å; I259-D263 PolarHBondContact O-N 3.27Å
260D53.9Low63.1Low127 Ų127100.7 Ų100.768%0.67950%0.496SS*.Hα-helixtrans-60.7-33.9174.6-93.6-16.6000112.8A256 D264A256-D260 PolarHBondContact O-N 3.3Å; D260-D264 PolarHBondContact O-N 3.49Å
261V55.3Low63.6Low88 Ų8898.7 Ų98.753%0.53349%0.493SS..Hα-helixtrans-80.5-28.9178.5169.90000112.6R257 R258 I259 D264 F265R257-V261 WeakPolarHBondContact O-CB 3.37Å; R257-V261 VanDerWaalsContact O-CG2 3.26Å; R257-V261 WeakPolarHBondContact O-CG2 3.28Å; R257-V261 PolarHBondContact O-N 2.99Å; R257-V261 VanDerWaalsContact O-N 3.14Å; R258-V261 PolarHBondContact O-N 3.49Å; R258-V261 VanDerWaalsContact O-N 3.17Å; I259-V261 VanDerWaalsContact C-N 3.28Å; I259-V261 PolarHBondContact O-N 3.21Å; V261-D264 PolarHBondContact O-N 2.9Å; V261-F265 PolarHBondContact O-N 2.6Å
262E50.8Low64.4Low121 Ų12197 Ų9757%0.56549%0.487SS*.Hα-helixtrans-74.4-34.8172.6-73.5176.9174.300111.4R258 I259 D264 F265 D266R258-E262 WeakPolarHBondContact O-CG 3.43Å; R258-E262 PolarHBondContact O-N 2.85Å; I259-E262 PolarHBondContact O-N 2.93Å; E262-D264 VanDerWaalsContact C-N 3.25Å; E262-D264 PolarHBondContact O-N 3.3Å; E262-F265 WeakPolarHBondContact O-CB 3.42Å; E262-F265 PolarHBondContact O-N 3.01Å; E262-D266 PolarHBondContact O-N 3.43Å
263D47.6Very low65.2Low85 Ų8594 Ų9446%0.45547%0.474SS..Hα-helixtrans-66.4-25.7169.2-119.854.9000112.3K28 I259 D266 A267K28-D263 IonicContact NZ-OD1 2.92Å; K28-D263 PolarHBondContact NZ-OD1 2.68Å; K28-D263 IonicContact NZ-OD2 2.65Å; K28-D263 PolarHBondContact NZ-OD2 3.34Å; I259-D263 PolarHBondContact O-N 3.27Å; D263-D266 VanDerWaalsContact O-CB 3.31Å; D263-D266 WeakPolarHBondContact O-CB 3.37Å; D263-D266 PolarHBondContact O-N 2.85Å; D263-A267 WeakPolarHBondContact O-CB 3.41Å; D263-A267 PolarHBondContact O-N 3.4Å
264D48.3Very low66Low99 Ų9995.7 Ų95.753%0.52948%0.48SS..Hα-helixtrans-78.6-15.9174.9-152.637000113.6D260 V261 E262 A267D260-D264 PolarHBondContact O-N 3.49Å; V261-D264 PolarHBondContact O-N 2.9Å; E262-D264 VanDerWaalsContact C-N 3.25Å; E262-D264 PolarHBondContact O-N 3.3Å; D264-A267 PolarHBondContact O-N 2.95Å; D264-A267 WeakPolarHBondContact OD1-CB 3.49Å
265F46.8Very low66.8Low153 Ų15391.9 Ų91.967%0.67146%0.464SS*.Hα-helixtrans-73.4-43.2164.9-103.5-88.3000111.5V261 E262 A267 Q268V261-F265 PolarHBondContact O-N 2.6Å; E262-F265 WeakPolarHBondContact O-CB 3.42Å; E262-F265 PolarHBondContact O-N 3.01Å; F265-A267 PolarHBondContact O-N 2.89Å; F265-Q268 PolarHBondContact O-N 3.21Å
266D49.9Very low67.5Low90 Ų9097.5 Ų97.548%0.48148%0.481SS..Hα-helixtrans-56.5-34.8167.4-112.313.8000110.6K28 E262 D263 Q268 E269K28-D266 WeakPolarHBondContact CE-OD2 3.4Å; K28-D266 IonicContact NZ-OD2 2.8Å; K28-D266 PolarHBondContact NZ-OD2 2.9Å; E262-D266 PolarHBondContact O-N 3.43Å; D263-D266 VanDerWaalsContact O-CB 3.31Å; D263-D266 WeakPolarHBondContact O-CB 3.37Å; D263-D266 PolarHBondContact O-N 2.85Å; D266-Q268 PolarHBondContact O-N 2.97Å; D266-E269 PolarHBondContact O-N 3.02Å
267A48.3Very low68.3Low24 Ų24100 Ų10020%0.19849%0.487CS..THydrogen-bonded Turntrans-74.73.3-179.100000115D263 D264 F265 K270D263-A267 WeakPolarHBondContact O-CB 3.41Å; D263-A267 PolarHBondContact O-N 3.4Å; D264-A267 PolarHBondContact O-N 2.95Å; D264-A267 WeakPolarHBondContact OD1-CB 3.49Å; F265-A267 PolarHBondContact O-N 2.89Å; A267-K270 VanDerWaalsContact CB-NZ 3.29Å; A267-K270 WeakPolarHBondContact O-CD 3.41Å; A267-K270 WeakPolarHBondContact O-CE 3.47Å; A267-K270 WeakPolarHBondContact O-CG 3.35Å; A267-K270 PolarHBondContact O-NZ 3.25Å
268Q51.8Low69.4Low147 Ų14793.9 Ų93.969%0.68747%0.473SS*.THydrogen-bonded Turntrans-86.8-26.2170-65.5-172.66.300113.3F265 D266 K270F265-Q268 PolarHBondContact O-N 3.21Å; D266-Q268 PolarHBondContact O-N 2.97Å; Q268-K270 PolarHBondContact O-N 3.03Å
269E64.5Low70.8Confident104 Ų10493.3 Ų93.349%0.48647%0.471SS..  trans-82.138.9177.1-157.3168.1-108.800112.1D266 F283 R297D266-E269 PolarHBondContact O-N 3.02Å; E269-F283 HydrophobicContact CG-CD1 3.69Å; E269-F283 HydrophobicContact CG-CE1 3.79Å; E269-F283 HydrophobicContact CG-CG 4.42Å; E269-F283 VanDerWaalsContact O-CE1 3.32Å; E269-F283 WeakPolarHBondContact O-CE1 3.43Å; E269-R297 IonicContact OE1-CZ 3.97Å; E269-R297 IonicContact OE1-NH1 2.67Å; E269-R297 PolarHBondContact OE1-NH1 3.46Å; E269-R297 IonicContact OE1-NH2 2.72Å; E269-R297 PolarHBondContact OE1-NH2 3.3Å; E269-R297 IonicContact OE2-NH2 3.94Å
270K79.3Confident72.6Confident125 Ų12588.2 Ų88.254%0.54345%0.445SS..  trans-74.9130.2175.7-73.8170-174.3128.30110.1A267 Q268 I272A267-K270 VanDerWaalsContact CB-NZ 3.29Å; A267-K270 WeakPolarHBondContact O-CD 3.41Å; A267-K270 WeakPolarHBondContact O-CE 3.47Å; A267-K270 WeakPolarHBondContact O-CG 3.35Å; A267-K270 PolarHBondContact O-NZ 3.25Å; Q268-K270 PolarHBondContact O-N 3.03Å; K270-I272 PolarHBondContact O-N 3.17Å
271P89.1Confident74.6Confident70 Ų7083.9 Ų83.946%0.45542%0.421SS..  trans-71.5130.2179.529.4-35000111.4L281 K282 F283P271-L281 HydrophobicContact CB-CB 3.99Å; P271-L281 HydrophobicContact CB-CD1 4.3Å; P271-L281 HydrophobicContact CB-CD2 4.32Å; P271-L281 HydrophobicContact CB-CG 4.44Å; P271-L281 HydrophobicContact CG-CD1 4.34Å; P271-K282 CarbonylContact C-O 3.58Å; P271-K282 WeakPolarHBondContact CA-O 3.38Å; P271-F283 HydrophobicContact CB-CD1 4.49Å; P271-F283 HydrophobicContact CB-CE1 4.13Å
272I91.9Very high76.6Confident87 Ų8780.5 Ų80.545%0.44640%0.399SS..  trans-92.8-22.6-174.953.7159.3000114.1K270 K282 D284K270-I272 PolarHBondContact O-N 3.17Å; I272-K282 HydrophobicContact CD1-CD 3.76Å; I272-K282 HydrophobicContact CD1-CG 4.12Å; I272-K282 HydrophobicContact CG1-CB 4.25Å; I272-K282 HydrophobicContact CG1-CD 3.94Å; I272-K282 HydrophobicContact CG1-CG 3.99Å; I272-K282 WeakPolarHBondContact CG1-O 3.36Å; I272-K282 PolarHBondContact N-O 3.41Å; I272-D284 HydrophobicContact CD1-CB 3.87Å; I272-D284 HydrophobicContact CG1-CB 4.49Å; I272-D284 HydrophobicContact CG2-CB 4.15Å
273D91.8Very high78.6Confident43 Ų4375.5 Ų75.523%0.2338%0.376CS..EExtended strand (participates in β ladder)trans-148.5164.6174.6-161.61000109.4K282 W309 Y358D273-K282 HydrophobicContact CB-CB 3.87Å; D273-K282 HydrophobicContact CB-CD 3.76Å; D273-K282 HydrophobicContact CB-CG 4.46Å; D273-K282 PolarHBondContact O-N 3.03Å; D273-W309 HydrophobicContact CB-CH2 4.08Å; D273-W309 HydrophobicContact CB-CZ2 3.89Å; D273-W309 WeakPolarHBondContact OD2-CZ2 3.43Å; D273-Y358 PolarHBondContact OD2-OH 2.78Å
274K93.2Very high80.8Confident137 Ų13777.7 Ų77.760%0.59639%0.388SS*.EExtended strand (participates in β ladder)trans-148.8146.5178.165.6-175.1-179.7-177.90112.3F280 L281K274-F280 CarbonylContact C-O 3.54Å; K274-F280 WeakPolarHBondContact CA-O 3.45Å; K274-L281 HydrophobicContact CB-CD2 3.84Å
275S93.4Very high82.9Confident3 Ų376.9 Ų76.92%0.02138%0.381CS..  trans-55.2158171.1570000113N277 G278 R279 F280S275-N277 VanDerWaalsContact C-N 3.26Å; S275-N277 WeakPolarHBondContact CB-OD1 3.27Å; S275-N277 PolarHBondContact O-N 3.18Å; S275-N277 PolarHBondContact OG-OD1 3.39Å; S275-G278 WeakPolarHBondContact O-CA 3.16Å; S275-G278 PolarHBondContact O-N 3.03Å; S275-G278 PolarHBondContact OG-N 2.9Å; S275-R279 PolarHBondContact OG-N 3.45Å; S275-F280 PolarHBondContact N-O 3.5Å; S275-F280 PolarHBondContact OG-N 3.4Å; S275-F280 PolarHBondContact OG-O 3.16Å; S275-F280 VanDerWaalsContact OG-O 3.09Å
276K90.5Very high85.1Confident157 Ų15774.3 Ų74.368%0.68337%0.371SS*.THydrogen-bonded Turntrans-62.9-29-175.6-63.5178.7-177.5174.10113.9W347 E348K276-W347 HydrophobicContact CD-CB 4.19Å; K276-W347 HydrophobicContact CD-CG 4.32Å; K276-W347 HydrophobicContact CG-CG 4.4Å; K276-E348 WeakPolarHBondContact CE-O 3.42Å; K276-E348 PolarHBondContact NZ-O 2.8Å
277N91.8Very high87Confident104 Ų10473.5 Ų73.556%0.55637%0.366SS*.THydrogen-bonded Turntrans-90.6-5.4173.656.18.4000113S275 R279S275-N277 VanDerWaalsContact C-N 3.26Å; S275-N277 WeakPolarHBondContact CB-OD1 3.27Å; S275-N277 PolarHBondContact O-N 3.18Å; S275-N277 PolarHBondContact OG-OD1 3.39Å; N277-R279 VanDerWaalsContact C-N 3.26Å; N277-R279 PolarHBondContact O-N 3.13Å; N277-R279 WeakPolarHBondContact OD1-CB 3.37Å; N277-R279 PolarHBondContact OD1-N 3.44Å
278G92.9Very high88.8Confident29 Ų2973.8 Ų73.830%0.29937%0.371SS..SBendtrans79.2-3.5-177.500000115.4S275S275-G278 WeakPolarHBondContact O-CA 3.16Å; S275-G278 PolarHBondContact O-N 3.03Å; S275-G278 PolarHBondContact OG-N 2.9Å
279R96.6Very high90.4Very high58 Ų5874.8 Ų74.822%0.21937%0.369CS..  trans-64.6-43.3-175.9177.2179.6175.8163.2-10.6113.4S275 N277 D300 T301 E302S275-R279 PolarHBondContact OG-N 3.45Å; N277-R279 VanDerWaalsContact C-N 3.26Å; N277-R279 PolarHBondContact O-N 3.13Å; N277-R279 WeakPolarHBondContact OD1-CB 3.37Å; N277-R279 PolarHBondContact OD1-N 3.44Å; R279-D300 VanDerWaalsContact CG-OD1 3.25Å; R279-D300 WeakPolarHBondContact CG-OD1 3.41Å; R279-D300 IonicContact CZ-OD1 3.76Å; R279-D300 IonicContact CZ-OD2 2.69Å; R279-D300 IonicContact NE-OD1 3.78Å; R279-D300 PolarHBondContact NE-OD1 2.88Å; R279-D300 IonicContact NE-OD2 2.75Å; R279-D300 PolarHBondContact NE-OD2 2.97Å; R279-D300 IonicContact NH2-OD1 2.84Å; R279-D300 IonicContact NH2-OD2 3.64Å; R279-D300 PolarHBondContact NH2-OD2 2.75Å; R279-T301 WeakPolarHBondContact O-CG2 3.44Å; R279-T301 PolarHBondContact O-N 3.02Å; R279-T301 PolarHBondContact O-OG1 2.93Å; R279-E302 WeakPolarHBondContact CD-OE1 3.37Å; R279-E302 WeakPolarHBondContact CD-OE2 3.34Å; R279-E302 HydrophobicContact CG-CB 4.46Å; R279-E302 HydrophobicContact CG-CG 3.97Å; R279-E302 IonicContact CZ-OE2 2.66Å; R279-E302 IonicContact NE-OE2 2.75Å; R279-E302 PolarHBondContact NE-OE2 3.4Å; R279-E302 IonicContact NH1-OE2 3.78Å; R279-E302 PolarHBondContact NH1-OE2 2.93Å; R279-E302 IonicContact NH2-OE2 3.51Å
280F97Very high90.6Very high2 Ų271.7 Ų71.71%0.00937%0.365CS..EExtended strand (participates in β ladder)trans-103.5133.1179-50.9-70.5000110.8K274 S275 L299 D300 V307 W309 Y344 D345 W347 V362K274-F280 CarbonylContact C-O 3.54Å; K274-F280 WeakPolarHBondContact CA-O 3.45Å; S275-F280 PolarHBondContact N-O 3.5Å; S275-F280 PolarHBondContact OG-N 3.4Å; S275-F280 PolarHBondContact OG-O 3.16Å; S275-F280 VanDerWaalsContact OG-O 3.09Å; F280-L299 WeakPolarHBondContact CA-O 3.47Å; F280-D300 HydrophobicContact CD1-CB 3.88Å; F280-D300 HydrophobicContact CE1-CB 3.79Å; F280-V307 HydrophobicContact CD1-CG2 4.23Å; F280-W309 HydrophobicContact CB-CE3 4.37Å; F280-W309 HydrophobicContact CB-CZ3 4.21Å; F280-Y344 HydrophobicContact CZ-CG 4.47Å; F280-D345 HydrophobicContact CE2-CB 3.78Å; F280-D345 HydrophobicContact CZ-CB 4.48Å; F280-W347 HydrophobicContact CB-CH2 4.32Å; F280-W347 HydrophobicContact CD2-CH2 4.13Å; F280-W347 AromaticContact CD2-CZ3 3.97Å; F280-W347 HydrophobicContact CD2-CZ3 3.97Å; F280-V362 HydrophobicContact CB-CG2 4.31Å; F280-V362 HydrophobicContact CD1-CG1 3.73Å; F280-V362 HydrophobicContact CD2-CB 4.44Å; F280-V362 HydrophobicContact CD2-CG1 4.4Å; F280-V362 HydrophobicContact CD2-CG2 4.01Å; F280-V362 HydrophobicContact CE1-CG1 3.91Å; F280-V362 HydrophobicContact CG-CB 4.46Å; F280-V362 HydrophobicContact CG-CG1 3.98Å; F280-V362 HydrophobicContact CG-CG2 4.06Å; F280-V362 HydrophobicContact CZ-CG1 4.33Å
281L96.2Very high89.8Confident36 Ų3670.2 Ų70.219%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-109.1145.5172.9-57.9178.4000110.2P271 K274 F283 G298 L299 T301P271-L281 HydrophobicContact CB-CB 3.99Å; P271-L281 HydrophobicContact CB-CD1 4.3Å; P271-L281 HydrophobicContact CB-CD2 4.32Å; P271-L281 HydrophobicContact CB-CG 4.44Å; P271-L281 HydrophobicContact CG-CD1 4.34Å; K274-L281 HydrophobicContact CB-CD2 3.84Å; L281-F283 HydrophobicContact CB-CE2 4.41Å; L281-F283 HydrophobicContact CB-CZ 4.29Å; L281-G298 CarbonylContact O-C 3.54Å; L281-G298 WeakPolarHBondContact O-CA 3.31Å; L281-L299 PolarHBondContact N-O 3.2Å; L281-L299 PolarHBondContact O-N 3.44Å; L281-T301 HydrophobicContact CD1-CG2 3.72Å; L281-T301 HydrophobicContact CG-CG2 3.76Å
282K96.1Very high88.7Confident16 Ų1669.6 Ų69.67%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-106.1138.8173.9-173-167.6-177.2179.40110.5P271 I272 D273 F296 W309 E311P271-K282 CarbonylContact C-O 3.58Å; P271-K282 WeakPolarHBondContact CA-O 3.38Å; I272-K282 HydrophobicContact CD1-CD 3.76Å; I272-K282 HydrophobicContact CD1-CG 4.12Å; I272-K282 HydrophobicContact CG1-CB 4.25Å; I272-K282 HydrophobicContact CG1-CD 3.94Å; I272-K282 HydrophobicContact CG1-CG 3.99Å; I272-K282 WeakPolarHBondContact CG1-O 3.36Å; I272-K282 PolarHBondContact N-O 3.41Å; D273-K282 HydrophobicContact CB-CB 3.87Å; D273-K282 HydrophobicContact CB-CD 3.76Å; D273-K282 HydrophobicContact CB-CG 4.46Å; D273-K282 PolarHBondContact O-N 3.03Å; K282-F296 HydrophobicContact CD-CG 4.47Å; K282-F296 HydrophobicContact CG-CB 4.1Å; K282-F296 HydrophobicContact CG-CG 4.42Å; K282-W309 HydrophobicContact CB-CD2 3.73Å; K282-W309 HydrophobicContact CB-CE3 3.85Å; K282-W309 HydrophobicContact CB-CG 4.26Å; K282-W309 HydrophobicContact CB-CH2 4Å; K282-W309 HydrophobicContact CB-CZ2 3.94Å; K282-W309 HydrophobicContact CB-CZ3 3.98Å; K282-W309 HydrophobicContact CD-CD2 4.34Å; K282-W309 HydrophobicContact CD-CG 4.43Å; K282-W309 HydrophobicContact CD-CZ2 4.11Å; K282-W309 HydrophobicContact CG-CD2 3.95Å; K282-W309 HydrophobicContact CG-CG 3.99Å; K282-W309 HydrophobicContact CG-CZ2 4.4Å; K282-E311 WeakPolarHBondContact CE-OE1 3.47Å; K282-E311 IonicContact NZ-OE1 3.67Å; K282-E311 PolarHBondContact NZ-OE1 3.5Å; K282-E311 IonicContact NZ-OE2 3.16Å; K282-E311 PolarHBondContact NZ-OE2 3.43Å
283F94.3Very high88.1Confident17 Ų1768.4 Ų68.48%0.07535%0.352CS..EExtended strand (participates in β ladder)trans-113159.7170.1-54-84.4000110.5E269 P271 L281 E285 R297 L299E269-F283 HydrophobicContact CG-CD1 3.69Å; E269-F283 HydrophobicContact CG-CE1 3.79Å; E269-F283 HydrophobicContact CG-CG 4.42Å; E269-F283 VanDerWaalsContact O-CE1 3.32Å; E269-F283 WeakPolarHBondContact O-CE1 3.43Å; P271-F283 HydrophobicContact CB-CD1 4.49Å; P271-F283 HydrophobicContact CB-CE1 4.13Å; L281-F283 HydrophobicContact CB-CE2 4.41Å; L281-F283 HydrophobicContact CB-CZ 4.29Å; F283-E285 PolarHBondContact O-N 2.94Å; F283-R297 PolarHBondContact N-O 3.36Å; F283-L299 HydrophobicContact CE2-CB 3.66Å; F283-L299 HydrophobicContact CZ-CB 4.04Å
284D92.5Very high87.9Confident131 Ų13167 Ų6770%0.70135%0.345SS*.EExtended strand (participates in β ladder)trans-80.438-178.5-152.824.4000113.1I272I272-D284 HydrophobicContact CD1-CB 3.87Å; I272-D284 HydrophobicContact CG1-CB 4.49Å; I272-D284 HydrophobicContact CG2-CB 4.15Å
285E92.7Very high87.8Confident82 Ų8261.5 Ų61.538%0.38332%0.323SS..EExtended strand (participates in β ladder)trans-107.193.7178.2-170.3-174.9138.100108.6F283 L287 F296 R297F283-E285 PolarHBondContact O-N 2.94Å; E285-L287 HydrophobicContact CG-CD2 4.38Å; E285-L287 PolarHBondContact O-N 3.38Å; E285-L287 VanDerWaalsContact O-N 3.17Å; E285-L287 WeakPolarHBondContact OE1-CD2 3.44Å; E285-F296 CarbonylContact O-C 3.56Å; E285-F296 VanDerWaalsContact O-CA 3.29Å; E285-F296 WeakPolarHBondContact O-CA 3.38Å; E285-R297 HydrophobicContact CB-CB 3.96Å; E285-R297 VanDerWaalsContact CD-CD 3.43Å; E285-R297 HydrophobicContact CG-CB 4.36Å; E285-R297 PolarHBondContact O-N 3.13Å; E285-R297 WeakPolarHBondContact OE1-CD 3.42Å; E285-R297 WeakPolarHBondContact OE2-CD 3.26Å; E285-R297 IonicContact OE2-CZ 3.47Å; E285-R297 IonicContact OE2-NE 3.31Å; E285-R297 IonicContact OE2-NH1 3.68Å; E285-R297 PolarHBondContact OE2-NH1 2.98Å
286E93.4Very high87.9Confident98 Ų9862.3 Ų62.346%0.45833%0.326SS..EExtended strand (participates in β ladder)trans-68.6105.3174.3-172179.3120.200109.3R289 T294 V295 F296E286-R289 VanDerWaalsContact OE1-CB 3.32Å; E286-R289 WeakPolarHBondContact OE1-CB 3.42Å; E286-R289 VanDerWaalsContact OE1-CD 3.26Å; E286-R289 WeakPolarHBondContact OE1-CD 3.42Å; E286-R289 IonicContact OE2-NH1 3.64Å; E286-R289 PolarHBondContact OE2-NH1 2.94Å; E286-T294 HydrophobicContact CG-CG2 3.68Å; E286-T294 WeakPolarHBondContact OE2-CG2 3.21Å; E286-V295 CarbonylContact C-O 3.38Å; E286-F296 HydrophobicContact CB-CE1 4.35Å
287L90.6Very high88.1Confident73 Ų7357.4 Ų57.438%0.38230%0.303SS..EExtended strand (participates in β ladder)trans-78.5-24.2179.3-65.3175.6000112.8E285 V295 R297 L365E285-L287 HydrophobicContact CG-CD2 4.38Å; E285-L287 PolarHBondContact O-N 3.38Å; E285-L287 VanDerWaalsContact O-N 3.17Å; E285-L287 WeakPolarHBondContact OE1-CD2 3.44Å; L287-V295 HydrophobicContact CB-CG1 4.3Å; L287-V295 HydrophobicContact CD1-CG1 4.38Å; L287-V295 PolarHBondContact N-O 3.3Å; L287-R297 HydrophobicContact CD1-CB 4Å; L287-R297 HydrophobicContact CD2-CB 4.25Å; L287-R297 HydrophobicContact CG-CB 4.11Å; L287-L365 HydrophobicContact CD1-CD1 3.46Å; L287-L365 VanDerWaalsContact CD1-CD1 3.46Å
288G85.4Confident88.4Confident30 Ų3052.5 Ų52.531%0.30928%0.277SS..EExtended strand (participates in β ladder)trans171.8160.3178.900000113.1V295G288-V295 PolarHBondContact N-O 2.91Å; G288-V295 PolarHBondContact O-N 3.33Å
289R84.5Confident88.5Confident168 Ų16853.3 Ų53.363%0.63427%0.274SS*.EExtended strand (participates in β ladder)trans-149.4136.2-170.5-178.7170.7173.2169.1-2.1112.3E286 T294E286-R289 VanDerWaalsContact OE1-CB 3.32Å; E286-R289 WeakPolarHBondContact OE1-CB 3.42Å; E286-R289 VanDerWaalsContact OE1-CD 3.26Å; E286-R289 WeakPolarHBondContact OE1-CD 3.42Å; E286-R289 IonicContact OE2-NH1 3.64Å; E286-R289 PolarHBondContact OE2-NH1 2.94Å; R289-T294 HydrophobicContact CB-CG2 4.44Å; R289-T294 HydrophobicContact CG-CG2 4.44Å
290G69.4Low88.6Confident40 Ų4050.5 Ų50.541%0.41226%0.264SS..  trans-120.1-166.1176.100000112.6F292 K293G290-F292 VanDerWaalsContact C-N 3.33Å; G290-F292 PolarHBondContact O-N 3.44Å; G290-K293 PolarHBondContact N-O 3.01Å
291S63Low88.5Confident93 Ų9353.9 Ų53.965%0.6529%0.285SS*.SBendtrans-68.8-25.9-179.5430000114.6
292F66.4Low88.4Confident58 Ų5858.3 Ų58.325%0.25431%0.305SS..SBendtrans-129.7-16.5-178.1-55.9-80.5000114.3G290 L312 Q313 K316 V445G290-F292 VanDerWaalsContact C-N 3.33Å; G290-F292 PolarHBondContact O-N 3.44Å; F292-L312 WeakPolarHBondContact O-CA 3.48Å; F292-Q313 PolarHBondContact O-N 3.49Å; F292-Q313 VanDerWaalsContact O-N 3.07Å; F292-K316 HydrophobicContact CD1-CD 4.03Å; F292-K316 HydrophobicContact CE1-CD 3.6Å; F292-V445 HydrophobicContact CE1-CG2 4.46Å; F292-V445 HydrophobicContact CE2-CB 4.19Å; F292-V445 HydrophobicContact CE2-CG1 3.95Å; F292-V445 HydrophobicContact CZ-CB 3.94Å; F292-V445 HydrophobicContact CZ-CG1 3.84Å; F292-V445 HydrophobicContact CZ-CG2 3.82Å
293K79.3Confident88.3Confident61 Ų6161.3 Ų61.327%0.26532%0.324SS..EExtended strand (participates in β ladder)trans-120.2142.9-174.980.6-174.2-174-170.10112.4G290 V295 E311 L312 D430G290-K293 PolarHBondContact N-O 3.01Å; K293-V295 HydrophobicContact CD-CG2 4.43Å; K293-V295 HydrophobicContact CG-CG2 4.47Å; K293-E311 WeakPolarHBondContact CA-O 3.33Å; K293-L312 HydrophobicContact CB-CD2 3.51Å; K293-D430 IonicContact NZ-OD1 2.64Å; K293-D430 PolarHBondContact NZ-OD1 3.31Å; K293-D430 IonicContact NZ-OD2 2.81Å; K293-D430 PolarHBondContact NZ-OD2 3.43Å
294T86.7Confident88.3Confident14 Ų1462.5 Ų62.59%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-119.9134.6159.5-53.40000108.4E286 R289 F296 E311E286-T294 HydrophobicContact CG-CG2 3.68Å; E286-T294 WeakPolarHBondContact OE2-CG2 3.21Å; R289-T294 HydrophobicContact CB-CG2 4.44Å; R289-T294 HydrophobicContact CG-CG2 4.44Å; T294-F296 HydrophobicContact CG2-CD2 4.05Å; T294-F296 HydrophobicContact CG2-CE2 3.39Å; T294-F296 HydrophobicContact CG2-CZ 3.66Å; T294-E311 PolarHBondContact N-O 2.76Å; T294-E311 PolarHBondContact O-N 2.92Å
295V91.1Very high88.4Confident21 Ų2159.6 Ų59.613%0.12733%0.328CS..EExtended strand (participates in β ladder)trans-110.6125.2-179.4-173.10000108.6E286 L287 G288 K293 A308 W309E286-V295 CarbonylContact C-O 3.38Å; L287-V295 HydrophobicContact CB-CG1 4.3Å; L287-V295 HydrophobicContact CD1-CG1 4.38Å; L287-V295 PolarHBondContact N-O 3.3Å; G288-V295 PolarHBondContact N-O 2.91Å; G288-V295 PolarHBondContact O-N 3.33Å; K293-V295 HydrophobicContact CD-CG2 4.43Å; K293-V295 HydrophobicContact CG-CG2 4.47Å; V295-A308 HydrophobicContact CG1-CB 3.99Å; V295-W309 WeakPolarHBondContact CA-O 3.45Å
296F95Very high88.5Confident20 Ų2057.5 Ų57.59%0.08833%0.325CS..EExtended strand (participates in β ladder)trans-113.7156.9176.9-65.5-94.3000110.3K282 E285 E286 T294 W309 E311K282-F296 HydrophobicContact CD-CG 4.47Å; K282-F296 HydrophobicContact CG-CB 4.1Å; K282-F296 HydrophobicContact CG-CG 4.42Å; E285-F296 CarbonylContact O-C 3.56Å; E285-F296 VanDerWaalsContact O-CA 3.29Å; E285-F296 WeakPolarHBondContact O-CA 3.38Å; E286-F296 HydrophobicContact CB-CE1 4.35Å; T294-F296 HydrophobicContact CG2-CD2 4.05Å; T294-F296 HydrophobicContact CG2-CE2 3.39Å; T294-F296 HydrophobicContact CG2-CZ 3.66Å; F296-W309 HydrophobicContact CB-CB 4.34Å; F296-W309 PolarHBondContact N-O 3.3Å; F296-W309 PolarHBondContact O-N 3.45Å; F296-E311 HydrophobicContact CD2-CG 4.39Å; F296-E311 HydrophobicContact CE2-CG 4.41Å; F296-E311 WeakPolarHBondContact CE2-OE2 3.4Å
297R96.2Very high88.6Confident55 Ų5552.8 Ų52.821%0.20830%0.303CS..EExtended strand (participates in β ladder)trans-72.1139.2166.8-170.5179.8156.9-141-16.1109.9E269 F283 E285 L287 L365E269-R297 IonicContact OE1-CZ 3.97Å; E269-R297 IonicContact OE1-NH1 2.67Å; E269-R297 PolarHBondContact OE1-NH1 3.46Å; E269-R297 IonicContact OE1-NH2 2.72Å; E269-R297 PolarHBondContact OE1-NH2 3.3Å; E269-R297 IonicContact OE2-NH2 3.94Å; F283-R297 PolarHBondContact N-O 3.36Å; E285-R297 HydrophobicContact CB-CB 3.96Å; E285-R297 VanDerWaalsContact CD-CD 3.43Å; E285-R297 HydrophobicContact CG-CB 4.36Å; E285-R297 PolarHBondContact O-N 3.13Å; E285-R297 WeakPolarHBondContact OE1-CD 3.42Å; E285-R297 WeakPolarHBondContact OE2-CD 3.26Å; E285-R297 IonicContact OE2-CZ 3.47Å; E285-R297 IonicContact OE2-NE 3.31Å; E285-R297 IonicContact OE2-NH1 3.68Å; E285-R297 PolarHBondContact OE2-NH1 2.98Å; L287-R297 HydrophobicContact CD1-CB 4Å; L287-R297 HydrophobicContact CD2-CB 4.25Å; L287-R297 HydrophobicContact CG-CB 4.11Å; R297-L365 HydrophobicContact CG-CD2 4.46Å
298G96.3Very high88.9Confident1 Ų149.7 Ų49.71%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-136.7178.1172.500000112.9L281 A306 V307L281-G298 CarbonylContact O-C 3.54Å; L281-G298 WeakPolarHBondContact O-CA 3.31Å; G298-A306 CarbonylContact O-C 3.58Å; G298-A306 WeakPolarHBondContact O-CA 3.22Å; G298-V307 PolarHBondContact N-O 2.78Å; G298-V307 PolarHBondContact O-N 2.88Å
299L96.7Very high89.3Confident45 Ų4548.2 Ų48.224%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-135.4132.3176.8178.871.4000109.7F280 L281 F283F280-L299 WeakPolarHBondContact CA-O 3.47Å; L281-L299 PolarHBondContact N-O 3.2Å; L281-L299 PolarHBondContact O-N 3.44Å; F283-L299 HydrophobicContact CE2-CB 3.66Å; F283-L299 HydrophobicContact CZ-CB 4.04Å
300D97Very high89.7Confident0 Ų040.9 Ų40.90%025%0.247CC..EExtended strand (participates in β ladder)trans-83.9111.2165.2177.46.4000109.3R279 F280 E302 T303 G304 V305 V307R279-D300 VanDerWaalsContact CG-OD1 3.25Å; R279-D300 WeakPolarHBondContact CG-OD1 3.41Å; R279-D300 IonicContact CZ-OD1 3.76Å; R279-D300 IonicContact CZ-OD2 2.69Å; R279-D300 IonicContact NE-OD1 3.78Å; R279-D300 PolarHBondContact NE-OD1 2.88Å; R279-D300 IonicContact NE-OD2 2.75Å; R279-D300 PolarHBondContact NE-OD2 2.97Å; R279-D300 IonicContact NH2-OD1 2.84Å; R279-D300 IonicContact NH2-OD2 3.64Å; R279-D300 PolarHBondContact NH2-OD2 2.75Å; F280-D300 HydrophobicContact CD1-CB 3.88Å; F280-D300 HydrophobicContact CE1-CB 3.79Å; D300-E302 VanDerWaalsContact C-N 3.28Å; D300-E302 PolarHBondContact O-N 2.82Å; D300-E302 PolarHBondContact OD1-N 3.19Å; D300-E302 VanDerWaalsContact OD1-N 3.1Å; D300-T303 WeakPolarHBondContact CB-OG1 3.36Å; D300-T303 PolarHBondContact O-N 2.83Å; D300-T303 VanDerWaalsContact OD2-CG2 3.26Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.31Å; D300-T303 PolarHBondContact OD2-OG1 2.74Å; D300-G304 WeakPolarHBondContact O-CA 3.37Å; D300-G304 PolarHBondContact O-N 3.46Å; D300-V305 PolarHBondContact N-O 2.96Å; D300-V307 HydrophobicContact CB-CG1 4.03Å
301T95.3Very high90.6Very high73 Ų7340.3 Ų40.345%0.44823%0.234SC..THydrogen-bonded Turntrans-72-19.4-176.864.70000113.3R279 L281R279-T301 WeakPolarHBondContact O-CG2 3.44Å; R279-T301 PolarHBondContact O-N 3.02Å; R279-T301 PolarHBondContact O-OG1 2.93Å; L281-T301 HydrophobicContact CD1-CG2 3.72Å; L281-T301 HydrophobicContact CG-CG2 3.76Å
302E94.9Very high91.3Very high129 Ų12936.8 Ų36.860%0.60321%0.207SC*.THydrogen-bonded Turntrans-78.2-33.3176.7-72.6173.8-164.400111.8R279 D300R279-E302 WeakPolarHBondContact CD-OE1 3.37Å; R279-E302 WeakPolarHBondContact CD-OE2 3.34Å; R279-E302 HydrophobicContact CG-CB 4.46Å; R279-E302 HydrophobicContact CG-CG 3.97Å; R279-E302 IonicContact CZ-OE2 2.66Å; R279-E302 IonicContact NE-OE2 2.75Å; R279-E302 PolarHBondContact NE-OE2 3.4Å; R279-E302 IonicContact NH1-OE2 3.78Å; R279-E302 PolarHBondContact NH1-OE2 2.93Å; R279-E302 IonicContact NH2-OE2 3.51Å; D300-E302 VanDerWaalsContact C-N 3.28Å; D300-E302 PolarHBondContact O-N 2.82Å; D300-E302 PolarHBondContact OD1-N 3.19Å; D300-E302 VanDerWaalsContact OD1-N 3.1Å
303T94.2Very high91.6Very high79 Ų7937.2 Ų37.249%0.48521%0.21SC..THydrogen-bonded Turntrans-109.2-16.2-175.763.40000114.1D300 V305D300-T303 WeakPolarHBondContact CB-OG1 3.36Å; D300-T303 PolarHBondContact O-N 2.83Å; D300-T303 VanDerWaalsContact OD2-CG2 3.26Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.31Å; D300-T303 PolarHBondContact OD2-OG1 2.74Å; T303-V305 PolarHBondContact O-N 3.14Å; T303-V305 WeakPolarHBondContact OG1-CB 3.4Å; T303-V305 PolarHBondContact OG1-N 3.31Å
304G93Very high90.9Very high42 Ų4234.8 Ų34.843%0.43320%0.2SC..THydrogen-bonded Turntrans70.711.8-172.200000113.9D300D300-G304 WeakPolarHBondContact O-CA 3.37Å; D300-G304 PolarHBondContact O-N 3.46Å
305V94.5Very high89.5Confident70 Ų7038 Ų3842%0.42422%0.223SC..EExtended strand (participates in β ladder)trans-92.8135.8-176179.50000110.4D300 T303D300-V305 PolarHBondContact N-O 2.96Å; T303-V305 PolarHBondContact O-N 3.14Å; T303-V305 WeakPolarHBondContact OG1-CB 3.4Å; T303-V305 PolarHBondContact OG1-N 3.31Å
306A95.9Very high87.9Confident37 Ų3743.6 Ų43.631%0.30625%0.245SC..EExtended strand (participates in β ladder)trans-70.3135.2173.800000110.8G298 L365G298-A306 CarbonylContact O-C 3.58Å; G298-A306 WeakPolarHBondContact O-CA 3.22Å; A306-L365 HydrophobicContact CB-CD2 3.7Å; A306-L365 WeakPolarHBondContact O-CB 3.43Å
307V96.3Very high86.3Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-122.9160.2-176.8-65.30000110.6F280 G298 D300 Y344 V362 T363F280-V307 HydrophobicContact CD1-CG2 4.23Å; G298-V307 PolarHBondContact N-O 2.78Å; G298-V307 PolarHBondContact O-N 2.88Å; D300-V307 HydrophobicContact CB-CG1 4.03Å; V307-Y344 HydrophobicContact CG1-CD2 4.05Å; V307-Y344 HydrophobicContact CG1-CE2 3.73Å; V307-V362 HydrophobicContact CB-CG1 3.74Å; V307-V362 HydrophobicContact CG1-CG1 4.18Å; V307-V362 HydrophobicContact CG2-CG1 3.66Å; V307-T363 WeakPolarHBondContact CB-O 3.4Å
308A95.8Very high84.8Confident7 Ų747.3 Ų47.36%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-90.4125.7167.200000109.2V295 V362 T363 L365V295-A308 HydrophobicContact CG1-CB 3.99Å; A308-V362 WeakPolarHBondContact O-CA 3.35Å; A308-T363 PolarHBondContact N-O 3.48Å; A308-T363 PolarHBondContact O-N 3.32Å; A308-L365 HydrophobicContact CB-CD1 4.2Å
309W94.6Very high83.6Confident0 Ų055.6 Ų55.60%031%0.306CS..EExtended strand (participates in β ladder)trans-103.4107.7176.1176.1-68000108.3D273 F280 K282 V295 F296 E311 W347 V360D273-W309 HydrophobicContact CB-CH2 4.08Å; D273-W309 HydrophobicContact CB-CZ2 3.89Å; D273-W309 WeakPolarHBondContact OD2-CZ2 3.43Å; F280-W309 HydrophobicContact CB-CE3 4.37Å; F280-W309 HydrophobicContact CB-CZ3 4.21Å; K282-W309 HydrophobicContact CB-CD2 3.73Å; K282-W309 HydrophobicContact CB-CE3 3.85Å; K282-W309 HydrophobicContact CB-CG 4.26Å; K282-W309 HydrophobicContact CB-CH2 4Å; K282-W309 HydrophobicContact CB-CZ2 3.94Å; K282-W309 HydrophobicContact CB-CZ3 3.98Å; K282-W309 HydrophobicContact CD-CD2 4.34Å; K282-W309 HydrophobicContact CD-CG 4.43Å; K282-W309 HydrophobicContact CD-CZ2 4.11Å; K282-W309 HydrophobicContact CG-CD2 3.95Å; K282-W309 HydrophobicContact CG-CG 3.99Å; K282-W309 HydrophobicContact CG-CZ2 4.4Å; V295-W309 WeakPolarHBondContact CA-O 3.45Å; F296-W309 HydrophobicContact CB-CB 4.34Å; F296-W309 PolarHBondContact N-O 3.3Å; F296-W309 PolarHBondContact O-N 3.45Å; W309-E311 PolarHBondContact NE1-OE1 2.73Å; W309-W347 HydrophobicContact CE3-CH2 4.31Å; W309-W347 HydrophobicContact CE3-CZ2 4.3Å; W309-W347 HydrophobicContact CH2-CH2 4.29Å; W309-W347 AromaticContact CH2-CZ2 3.56Å; W309-W347 HydrophobicContact CH2-CZ2 3.56Å; W309-W347 AromaticContact CZ2-CZ2 4Å; W309-W347 HydrophobicContact CZ2-CZ2 4Å; W309-W347 AromaticContact CZ3-CH2 3.96Å; W309-W347 HydrophobicContact CZ3-CH2 3.96Å; W309-W347 AromaticContact CZ3-CZ2 3.71Å; W309-W347 HydrophobicContact CZ3-CZ2 3.71Å; W309-V360 HydrophobicContact CD2-CG1 3.78Å; W309-V360 HydrophobicContact CE3-CG1 4.38Å; W309-V360 HydrophobicContact CG-CG1 4.1Å; W309-V360 HydrophobicContact CZ2-CG1 4.03Å; W309-V360 HydrophobicContact CZ2-CG2 4.11Å
310C91.6Very high82.1Confident14 Ų1457.4 Ų57.410%0.09532%0.319CS..EExtended strand (participates in β ladder)trans-105.3120.5-172.4-63.80000110.6V360 L361C310-V360 CarbonylContact O-C 3.56Å; C310-V360 VanDerWaalsContact O-CA 3.3Å; C310-V360 WeakPolarHBondContact O-CA 3.36Å; C310-L361 HydrophobicContact CB-CB 4.26Å; C310-L361 HydrophobicContact CB-CD1 4.34Å; C310-L361 PolarHBondContact N-O 2.72Å; C310-L361 PolarHBondContact O-N 2.7Å
311E88.2Confident80.5Confident28 Ų2859.5 Ų59.513%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-107.4116.2179.9-60.5-174.6153.600111K282 K293 T294 F296 W309 Y358 I359 V360K282-E311 WeakPolarHBondContact CE-OE1 3.47Å; K282-E311 IonicContact NZ-OE1 3.67Å; K282-E311 PolarHBondContact NZ-OE1 3.5Å; K282-E311 IonicContact NZ-OE2 3.16Å; K282-E311 PolarHBondContact NZ-OE2 3.43Å; K293-E311 WeakPolarHBondContact CA-O 3.33Å; T294-E311 PolarHBondContact N-O 2.76Å; T294-E311 PolarHBondContact O-N 2.92Å; F296-E311 HydrophobicContact CD2-CG 4.39Å; F296-E311 HydrophobicContact CE2-CG 4.41Å; F296-E311 WeakPolarHBondContact CE2-OE2 3.4Å; W309-E311 PolarHBondContact NE1-OE1 2.73Å; E311-Y358 HydrophobicContact CB-CD2 4.16Å; E311-Y358 HydrophobicContact CG-CD2 4.04Å; E311-Y358 HydrophobicContact CG-CE2 4.16Å; E311-Y358 WeakPolarHBondContact OE1-CE2 3.28Å; E311-I359 WeakPolarHBondContact CA-O 3.44Å; E311-V360 HydrophobicContact CG-CG2 4.47Å
312L78.5Confident79.2Confident18 Ų1857.9 Ų57.99%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-96.2130.3174.6-62.7-176.7000111.5F292 K293 E314 F325 Y358 I359 L361F292-L312 WeakPolarHBondContact O-CA 3.48Å; K293-L312 HydrophobicContact CB-CD2 3.51Å; L312-E314 PolarHBondContact O-N 3.4Å; L312-F325 HydrophobicContact CD1-CE2 3.47Å; L312-F325 VanDerWaalsContact CD1-CE2 3.47Å; L312-F325 HydrophobicContact CD1-CZ 3.55Å; L312-Y358 CarbonylContact O-C 3.16Å; L312-Y358 WeakPolarHBondContact O-CA 3.31Å; L312-Y358 VanDerWaalsContact O-CB 3.29Å; L312-Y358 WeakPolarHBondContact O-CB 3.32Å; L312-I359 HydrophobicContact CB-CB 4.42Å; L312-I359 PolarHBondContact N-O 2.91Å; L312-I359 PolarHBondContact O-N 3.26Å; L312-L361 HydrophobicContact CD1-CD1 3.67Å; L312-L361 HydrophobicContact CG-CD1 3.65Å
313Q71.6Confident78.1Confident67 Ų6755.5 Ų55.531%0.31330%0.303SS..EExtended strand (participates in β ladder)trans-76107.9179.2-64-175.823.300111.5F292 S315F292-Q313 PolarHBondContact O-N 3.49Å; F292-Q313 VanDerWaalsContact O-N 3.07Å; Q313-S315 VanDerWaalsContact C-N 3.26Å; Q313-S315 PolarHBondContact O-N 2.96Å
314E65.8Low76.7Confident11 Ų1154.6 Ų54.65%0.05129%0.291CS..  trans-72.5-15.8-173-157.5-163.5-110.100113.8L312 K316 L317 R322 K357 I359L312-E314 PolarHBondContact O-N 3.4Å; E314-K316 PolarHBondContact O-N 2.89Å; E314-L317 PolarHBondContact O-N 3.14Å; E314-R322 IonicContact OE1-CZ 3.12Å; E314-R322 IonicContact OE1-NE 3.7Å; E314-R322 IonicContact OE1-NH1 2.72Å; E314-R322 PolarHBondContact OE1-NH1 3.36Å; E314-R322 IonicContact OE1-NH2 2.76Å; E314-R322 IonicContact OE2-CZ 3.45Å; E314-R322 IonicContact OE2-NH1 2.62Å; E314-R322 PolarHBondContact OE2-NH1 2.82Å; E314-R322 IonicContact OE2-NH2 2.63Å; E314-R322 PolarHBondContact OE2-NH2 2.7Å; E314-K357 HydrophobicContact CB-CB 4.08Å; E314-K357 VanDerWaalsContact CB-O 3.22Å; E314-K357 WeakPolarHBondContact CB-O 3.48Å; E314-K357 HydrophobicContact CG-CB 4.45Å; E314-K357 PolarHBondContact N-O 3.27Å; E314-K357 WeakPolarHBondContact OE2-CB 3.15Å; E314-K357 WeakPolarHBondContact OE2-CD 3.19Å; E314-I359 HydrophobicContact CG-CG1 4.47Å
315S57.4Low75.6Confident81 Ų8153.2 Ų53.257%0.56627%0.273SS*.THydrogen-bonded Turntrans-69.820.9-174.166.10000115.4Q313Q313-S315 VanDerWaalsContact C-N 3.26Å; Q313-S315 PolarHBondContact O-N 2.96Å
316K57.9Low74.7Confident138 Ų13853.7 Ų53.760%0.627%0.267SS*.THydrogen-bonded Turntrans-135.81.1172.1-64.6-178.7-179.31760113F292 E314F292-K316 HydrophobicContact CD1-CD 4.03Å; F292-K316 HydrophobicContact CE1-CD 3.6Å; E314-K316 PolarHBondContact O-N 2.89Å
317L61.6Low73.6Confident49 Ų4955.3 Ų55.326%0.25727%0.268SS..  trans-104.2123.3-177.9-74.8165.6000111.4E314 E321 I359E314-L317 PolarHBondContact O-N 3.14Å; L317-E321 HydrophobicContact CD2-CB 3.9Å; L317-I359 HydrophobicContact CD1-CD1 4.31Å
318N63.5Low72.6Confident105 Ų10556.5 Ų56.556%0.56127%0.274SS*.  trans-72.2164.1176.3-163.3-2.2000111.5T320 E321 R322N318-T320 VanDerWaalsContact C-N 3.29Å; N318-T320 PolarHBondContact O-N 2.85Å; N318-E321 HydrophobicContact CB-CG 4.26Å; N318-E321 VanDerWaalsContact CB-OE2 3.29Å; N318-E321 WeakPolarHBondContact CB-OE2 3.38Å; N318-E321 PolarHBondContact N-OE2 2.95Å; N318-E321 PolarHBondContact O-N 3.24Å; N318-E321 VanDerWaalsContact O-N 3.16Å; N318-R322 PolarHBondContact O-N 3.48Å
319K70.7Confident71.7Confident174 Ų17456.3 Ų56.376%0.75727%0.272SS*.Hα-helixtrans-56.4-40.3-177-172-178.6177.3-173.40112.7Q323K319-Q323 PolarHBondContact O-N 3.2Å
320T65.8Low71Confident84 Ų8460.7 Ų60.752%0.51529%0.293SS..Hα-helixtrans-70.3-41178.3-46.60000112.2N318 Q323 R324N318-T320 VanDerWaalsContact C-N 3.29Å; N318-T320 PolarHBondContact O-N 2.85Å; T320-Q323 PolarHBondContact O-N 3.04Å; T320-R324 PolarHBondContact O-N 3.36Å
321E63.1Low70.3Confident44 Ų4463 Ų6321%0.20630%0.303CS..Hα-helixtrans-66-40.1178.2-60.5173.9132.700110.9L317 N318 Q323 R324 F325L317-E321 HydrophobicContact CD2-CB 3.9Å; N318-E321 HydrophobicContact CB-CG 4.26Å; N318-E321 VanDerWaalsContact CB-OE2 3.29Å; N318-E321 WeakPolarHBondContact CB-OE2 3.38Å; N318-E321 PolarHBondContact N-OE2 2.95Å; N318-E321 PolarHBondContact O-N 3.24Å; N318-E321 VanDerWaalsContact O-N 3.16Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 2.96Å; E321-R324 PolarHBondContact O-N 2.95Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.15Å
322R68.8Low70Confident39 Ų3962 Ų6215%0.14730%0.299CS..Hα-helixtrans-61.4-37.9172.6-169.7-157.6-53.7-116.2-16112.8E314 N318 R326 E348E314-R322 IonicContact OE1-CZ 3.12Å; E314-R322 IonicContact OE1-NE 3.7Å; E314-R322 IonicContact OE1-NH1 2.72Å; E314-R322 PolarHBondContact OE1-NH1 3.36Å; E314-R322 IonicContact OE1-NH2 2.76Å; E314-R322 IonicContact OE2-CZ 3.45Å; E314-R322 IonicContact OE2-NH1 2.62Å; E314-R322 PolarHBondContact OE2-NH1 2.82Å; E314-R322 IonicContact OE2-NH2 2.63Å; E314-R322 PolarHBondContact OE2-NH2 2.7Å; N318-R322 PolarHBondContact O-N 3.48Å; R322-R326 WeakPolarHBondContact O-CG 3.39Å; R322-R326 PolarHBondContact O-N 2.86Å; R322-R326 VanDerWaalsContact O-N 3.11Å; R322-E348 IonicContact NH1-OE2 3.67Å; R322-E348 PolarHBondContact NH1-OE2 2.89Å
323Q70.7Confident70.4Confident79 Ų7963.2 Ų63.237%0.36930%0.303SS..Hα-helixtrans-67.7-47.1176.5177.757.130.400111.2K319 T320 E321 F325 R326 E327K319-Q323 PolarHBondContact O-N 3.2Å; T320-Q323 PolarHBondContact O-N 3.04Å; E321-Q323 VanDerWaalsContact C-N 3.33Å; E321-Q323 PolarHBondContact O-N 2.96Å; Q323-F325 VanDerWaalsContact C-N 3.32Å; Q323-F325 PolarHBondContact O-N 3.22Å; Q323-R326 PolarHBondContact O-N 3.16Å; Q323-R326 VanDerWaalsContact O-N 3.15Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.29Å; Q323-E327 PolarHBondContact NE2-OE1 3.27Å; Q323-E327 PolarHBondContact O-N 3.01Å; Q323-E327 VanDerWaalsContact O-N 3.12Å
324R65.4Low70.9Confident60 Ų6066.2 Ų66.223%0.22632%0.321CS..Hα-helixtrans-56.5-46173.2-73.9170.6169.5163.1-9111.7T320 E321 R326 E327 E328 K439 F441T320-R324 PolarHBondContact O-N 3.36Å; E321-R324 PolarHBondContact O-N 2.95Å; R324-R326 VanDerWaalsContact C-N 3.3Å; R324-R326 PolarHBondContact O-N 2.8Å; R324-E327 PolarHBondContact O-N 3.01Å; R324-E327 VanDerWaalsContact O-N 3.14Å; R324-E328 WeakPolarHBondContact O-CB 3.37Å; R324-E328 WeakPolarHBondContact O-CG 3.25Å; R324-E328 PolarHBondContact O-N 3.12Å; R324-K439 VanDerWaalsContact CZ-O 3.28Å; R324-K439 PolarHBondContact NE-O 3.18Å; R324-K439 PolarHBondContact NH2-O 3.16Å; R324-F441 PolarHBondContact NH1-O 3Å
325F70.6Confident72Confident13 Ų1366.1 Ų66.16%0.05732%0.321CS..Hα-helixtrans-56.7-40.5176.5-172.3-76.9000112.5L312 E321 Q323 A329 I359 L361 G432 L433L312-F325 HydrophobicContact CD1-CE2 3.47Å; L312-F325 VanDerWaalsContact CD1-CE2 3.47Å; L312-F325 HydrophobicContact CD1-CZ 3.55Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.15Å; Q323-F325 VanDerWaalsContact C-N 3.32Å; Q323-F325 PolarHBondContact O-N 3.22Å; F325-A329 HydrophobicContact CD1-CB 4.21Å; F325-A329 HydrophobicContact CE1-CB 3.88Å; F325-A329 WeakPolarHBondContact O-CB 3.5Å; F325-A329 PolarHBondContact O-N 3.09Å; F325-I359 HydrophobicContact CD1-CD1 3.68Å; F325-I359 HydrophobicContact CD1-CG2 4.33Å; F325-I359 HydrophobicContact CE1-CB 4.39Å; F325-I359 HydrophobicContact CE1-CD1 3.86Å; F325-I359 HydrophobicContact CE1-CG2 3.65Å; F325-I359 HydrophobicContact CG-CD1 4.09Å; F325-I359 HydrophobicContact CZ-CD1 4.34Å; F325-I359 HydrophobicContact CZ-CG2 4.26Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å; F325-L361 HydrophobicContact CZ-CD2 3.94Å; F325-L361 HydrophobicContact CZ-CG 4.3Å; F325-G432 VanDerWaalsContact CE2-O 3.26Å; F325-G432 WeakPolarHBondContact CE2-O 3.37Å; F325-L433 HydrophobicContact CE2-CD2 4.47Å
326R75.2Confident73.6Confident80 Ų8067.6 Ų67.630%0.30232%0.319SS..Hα-helixtrans-67.9-40.3176.8-74.7-170.6-64.8-118.94.5112.9R322 Q323 R324 E330 Y346 E348R322-R326 WeakPolarHBondContact O-CG 3.39Å; R322-R326 PolarHBondContact O-N 2.86Å; R322-R326 VanDerWaalsContact O-N 3.11Å; Q323-R326 PolarHBondContact O-N 3.16Å; Q323-R326 VanDerWaalsContact O-N 3.15Å; R324-R326 VanDerWaalsContact C-N 3.3Å; R324-R326 PolarHBondContact O-N 2.8Å; R326-E330 WeakPolarHBondContact O-CB 3.44Å; R326-E330 PolarHBondContact O-N 2.86Å; R326-E330 VanDerWaalsContact O-N 3.14Å; R326-Y346 WeakPolarHBondContact CB-OH 3.14Å; R326-Y346 HydrophobicContact CG-CE2 4.05Å; R326-Y346 PolarHBondContact O-OH 2.89Å; R326-Y346 VanDerWaalsContact O-OH 3.14Å; R326-E348 WeakPolarHBondContact CD-OE1 3.36Å; R326-E348 IonicContact CZ-OE1 2.82Å; R326-E348 IonicContact NE-OE1 3.91Å; R326-E348 IonicContact NH1-OE1 3.06Å; R326-E348 PolarHBondContact NH1-OE1 2.71Å; R326-E348 IonicContact NH1-OE2 3.29Å
327E73.5Confident75.4Confident70 Ų7063 Ų6333%0.32730%0.299SS..Hα-helixtrans-63.5-49.3174.2-71.5170.2-141.400110.3Q323 R324 E330 M331Q323-E327 WeakPolarHBondContact CG-OE1 3.29Å; Q323-E327 PolarHBondContact NE2-OE1 3.27Å; Q323-E327 PolarHBondContact O-N 3.01Å; Q323-E327 VanDerWaalsContact O-N 3.12Å; R324-E327 PolarHBondContact O-N 3.01Å; R324-E327 VanDerWaalsContact O-N 3.14Å; E327-E330 PolarHBondContact O-N 3.28Å; E327-M331 WeakPolarHBondContact O-CE 3.47Å; E327-M331 PolarHBondContact O-N 3.11Å
328E73.6Confident76.9Confident26 Ų2665 Ų6512%0.12132%0.315CS..Hα-helixtrans-58.5-51.7178-73.4164.1173.900111.3R324 E330 M331 L332 T435 L436 S440R324-E328 WeakPolarHBondContact O-CB 3.37Å; R324-E328 WeakPolarHBondContact O-CG 3.25Å; R324-E328 PolarHBondContact O-N 3.12Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E328-E330 PolarHBondContact O-N 3.17Å; E328-M331 HydrophobicContact CG-CE 4.43Å; E328-M331 PolarHBondContact O-N 3.34Å; E328-L332 WeakPolarHBondContact O-CG 3.06Å; E328-L332 PolarHBondContact O-N 2.84Å; E328-T435 VanDerWaalsContact OE1-CA 3.26Å; E328-T435 WeakPolarHBondContact OE1-CA 3.33Å; E328-L436 HydrophobicContact CG-CG 4.2Å; E328-L436 PolarHBondContact OE1-N 2.63Å; E328-L436 VanDerWaalsContact OE1-N 3.09Å; E328-S440 PolarHBondContact OE1-OG 3.1Å
329A78.2Confident78.5Confident2 Ų260.4 Ų60.42%0.01729%0.291CS..Hα-helixtrans-70.3-19.9-178.900000115.1F325 F343 Y346F325-A329 HydrophobicContact CD1-CB 4.21Å; F325-A329 HydrophobicContact CE1-CB 3.88Å; F325-A329 WeakPolarHBondContact O-CB 3.5Å; F325-A329 PolarHBondContact O-N 3.09Å; A329-F343 HydrophobicContact CB-CZ 4.37Å; A329-F343 WeakPolarHBondContact O-CE1 3.43Å; A329-Y346 HydrophobicContact CB-CD1 3.44Å; A329-Y346 VanDerWaalsContact CB-CD1 3.44Å; A329-Y346 HydrophobicContact CB-CD2 4.22Å; A329-Y346 HydrophobicContact CB-CE1 3.65Å; A329-Y346 HydrophobicContact CB-CE2 4.42Å; A329-Y346 HydrophobicContact CB-CG 3.77Å; A329-Y346 WeakPolarHBondContact O-CD1 3.27Å
330E80.2Confident79.7Confident93 Ų9352.2 Ų52.244%0.43526%0.255SS..Hα-helixtrans-71.9-46.4172.3-16165.4-151.300110.5R326 E327 E328 L332 K333 Y346R326-E330 WeakPolarHBondContact O-CB 3.44Å; R326-E330 PolarHBondContact O-N 2.86Å; R326-E330 VanDerWaalsContact O-N 3.14Å; E327-E330 PolarHBondContact O-N 3.28Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E328-E330 PolarHBondContact O-N 3.17Å; E330-L332 VanDerWaalsContact C-N 3.25Å; E330-L332 PolarHBondContact O-N 3.38Å; E330-K333 VanDerWaalsContact O-CB 3.32Å; E330-K333 WeakPolarHBondContact O-CB 3.34Å; E330-K333 WeakPolarHBondContact O-CG 3.49Å; E330-K333 PolarHBondContact O-N 2.99Å; E330-K333 VanDerWaalsContact O-N 3.14Å; E330-K333 WeakPolarHBondContact OE1-CD 3.32Å; E330-K333 IonicContact OE1-NZ 2.63Å; E330-K333 PolarHBondContact OE1-NZ 3.32Å; E330-K333 WeakPolarHBondContact OE2-CE 3.33Å; E330-K333 IonicContact OE2-NZ 2.86Å; E330-K333 PolarHBondContact OE2-NZ 3.33Å; E330-Y346 HydrophobicContact CB-CE1 4.31Å; E330-Y346 WeakPolarHBondContact OE2-CE1 3.36Å
331M76.9Confident81Confident61 Ų6149 Ų4930%0.324%0.235SC..Hα-helixtrans-66.2-26.8177.4-60.3168.3-69.600112.8E327 E328 K333 D334 L436E327-M331 WeakPolarHBondContact O-CE 3.47Å; E327-M331 PolarHBondContact O-N 3.11Å; E328-M331 HydrophobicContact CG-CE 4.43Å; E328-M331 PolarHBondContact O-N 3.34Å; M331-K333 PolarHBondContact O-N 3.45Å; M331-D334 PolarHBondContact O-N 2.9Å; M331-L436 HydrophobicContact CE-CD1 3.48Å; M331-L436 VanDerWaalsContact CE-CD1 3.48Å; M331-L436 HydrophobicContact CE-CD2 3.58Å; M331-L436 HydrophobicContact CE-CG 3.57Å; M331-L436 HydrophobicContact SD-CD1 3.94Å; M331-L436 HydrophobicContact SD-CD2 3.96Å; M331-L436 HydrophobicContact SD-CG 4.35Å
332L81.7Confident82.5Confident9 Ų950.9 Ų50.95%0.04724%0.241CC..Hα-helixtrans-58.4-30.1174.3-67.8-176.3000112.3E328 E330 D334 L335 F343 L431E328-L332 WeakPolarHBondContact O-CG 3.06Å; E328-L332 PolarHBondContact O-N 2.84Å; E330-L332 VanDerWaalsContact C-N 3.25Å; E330-L332 PolarHBondContact O-N 3.38Å; L332-D334 VanDerWaalsContact C-N 3.27Å; L332-D334 PolarHBondContact O-N 2.88Å; L332-L335 HydrophobicContact CD2-CD1 3.57Å; L332-L335 WeakPolarHBondContact O-CB 3.33Å; L332-L335 PolarHBondContact O-N 3.26Å; L332-F343 HydrophobicContact CB-CB 4.24Å; L332-F343 HydrophobicContact CB-CD1 3.78Å; L332-F343 HydrophobicContact CB-CD2 4Å; L332-F343 HydrophobicContact CB-CE1 4.02Å; L332-F343 HydrophobicContact CB-CE2 4.24Å; L332-F343 HydrophobicContact CB-CG 3.76Å; L332-F343 HydrophobicContact CB-CZ 4.24Å; L332-F343 HydrophobicContact CD1-CD2 4.15Å; L332-F343 HydrophobicContact CD1-CE2 3.86Å; L332-F343 HydrophobicContact CD1-CZ 4.2Å; L332-F343 VanDerWaalsContact O-CB 3.27Å; L332-F343 WeakPolarHBondContact O-CB 3.3Å; L332-L431 HydrophobicContact CD1-CB 4.46Å; L332-L431 WeakPolarHBondContact CD1-O 3.44Å; L332-L431 HydrophobicContact CD2-CB 3.89Å
333K85.4Confident83.6Confident43 Ų4349.7 Ų49.719%0.18724%0.236CC..THydrogen-bonded Turntrans-62-33.1178.7-60.5175-175.1178.30113E330 M331 L335 F343 D345E330-K333 VanDerWaalsContact O-CB 3.32Å; E330-K333 WeakPolarHBondContact O-CB 3.34Å; E330-K333 WeakPolarHBondContact O-CG 3.49Å; E330-K333 PolarHBondContact O-N 2.99Å; E330-K333 VanDerWaalsContact O-N 3.14Å; E330-K333 WeakPolarHBondContact OE1-CD 3.32Å; E330-K333 IonicContact OE1-NZ 2.63Å; E330-K333 PolarHBondContact OE1-NZ 3.32Å; E330-K333 WeakPolarHBondContact OE2-CE 3.33Å; E330-K333 IonicContact OE2-NZ 2.86Å; E330-K333 PolarHBondContact OE2-NZ 3.33Å; M331-K333 PolarHBondContact O-N 3.45Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-F343 HydrophobicContact CB-CD1 4.44Å; K333-F343 HydrophobicContact CG-CD1 3.78Å; K333-F343 HydrophobicContact CG-CE1 4.03Å; K333-D345 WeakPolarHBondContact CE-OD1 3.37Å; K333-D345 IonicContact NZ-OD1 3.55Å; K333-D345 PolarHBondContact NZ-OD1 2.55Å; K333-D345 VanDerWaalsContact NZ-OD1 3.13Å
334D83.6Confident84.6Confident129 Ų12948.7 Ų48.769%0.6923%0.23SC*.THydrogen-bonded Turntrans-82.9-8.2-179.7-69.2-33.4000113.1M331 L332 Q336M331-D334 PolarHBondContact O-N 2.9Å; L332-D334 VanDerWaalsContact C-N 3.27Å; L332-D334 PolarHBondContact O-N 2.88Å; D334-Q336 PolarHBondContact O-N 2.73Å
335L87.6Confident85.8Confident10 Ų1047.4 Ų47.45%0.05223%0.227CC..  trans-75.992.8-179.8-59.8-173.1000112L332 K333 F399 L400 R403 L431L332-L335 HydrophobicContact CD2-CD1 3.57Å; L332-L335 WeakPolarHBondContact O-CB 3.33Å; L332-L335 PolarHBondContact O-N 3.26Å; K333-L335 VanDerWaalsContact C-N 3.32Å; L335-F399 HydrophobicContact CB-CE1 4.13Å; L335-F399 HydrophobicContact CD2-CE1 3.95Å; L335-F399 HydrophobicContact CD2-CZ 4.34Å; L335-L400 HydrophobicContact CD1-CD2 3.82Å; L335-R403 HydrophobicContact CD2-CG 3.75Å; L335-L431 HydrophobicContact CD1-CD1 4.02Å
336Q91.7Very high86.7Confident112 Ų11248.3 Ų48.352%0.52323%0.231SC..  trans-116.7103.6178.3-56.3-172.644.800111.1D334 R342D334-Q336 PolarHBondContact O-N 2.73Å; Q336-R342 VanDerWaalsContact CD-NH2 3.28Å; Q336-R342 VanDerWaalsContact NE2-NH2 3.15Å
337H94.7Very high87.4Confident41 Ų4145.3 Ų45.319%0.1922%0.219CC..  trans-148.3140.1178.2-179.2-101.5000110.6N339 I340 K395 F399H337-N339 PolarHBondContact ND1-N 3.44Å; H337-N339 PolarHBondContact O-N 3Å; H337-N339 VanDerWaalsContact O-N 3.08Å; H337-I340 HydrophobicContact CB-CB 4.23Å; H337-I340 HydrophobicContact CB-CG1 3.84Å; H337-I340 PolarHBondContact O-N 2.95Å; H337-K395 PolarHBondContact CE1-O 2.69Å; H337-F399 HydrophobicContact CB-CB 4.36Å; H337-F399 HydrophobicContact CB-CD1 3.61Å; H337-F399 HydrophobicContact CB-CD2 3.86Å; H337-F399 HydrophobicContact CB-CE1 3.74Å; H337-F399 HydrophobicContact CB-CE2 3.98Å; H337-F399 HydrophobicContact CB-CG 3.66Å; H337-F399 HydrophobicContact CB-CZ 3.93Å; H337-F399 AromaticContact CD2-CD2 3.81Å; H337-F399 AromaticContact CD2-CG 3.83Å; H337-F399 AromaticContact CG-CD2 3.99Å; H337-F399 AromaticContact CG-CG 3.69Å
338P94.8Very high87.9Confident90 Ų9044.1 Ų44.158%0.58421%0.214SC*.THydrogen-bonded Turntrans-58.9-24.7-175.721.5-35.5000114.9K427P338-K427 WeakPolarHBondContact O-CE 3.15Å; P338-K427 WeakPolarHBondContact O-CG 3.19Å
339N96.7Very high88.5Confident10 Ų1044.3 Ų44.35%0.05322%0.218CC..THydrogen-bonded Turntrans-104.519.1177.4-54.7116.5000114H337 Q392 V426 K427 I428H337-N339 PolarHBondContact ND1-N 3.44Å; H337-N339 PolarHBondContact O-N 3Å; H337-N339 VanDerWaalsContact O-N 3.08Å; N339-Q392 VanDerWaalsContact CB-O 3.29Å; N339-Q392 WeakPolarHBondContact CB-O 3.5Å; N339-Q392 WeakPolarHBondContact ND2-CB 3.47Å; N339-Q392 WeakPolarHBondContact ND2-CG 3.29Å; N339-Q392 PolarHBondContact ND2-OE1 3.33Å; N339-V426 WeakPolarHBondContact CA-O 3.35Å; N339-V426 WeakPolarHBondContact CB-O 3.33Å; N339-V426 PolarHBondContact ND2-O 2.97Å; N339-K427 WeakPolarHBondContact O-CA 3.21Å; N339-I428 PolarHBondContact O-N 3.15Å
340I95.3Very high88.5Confident2 Ų246.3 Ų46.31%0.0124%0.235CC..BIsolated β-bridgetrans-116.4145.2167.4-58.7-61.3000108.1H337 F399 L400 K427 I428 L431H337-I340 HydrophobicContact CB-CB 4.23Å; H337-I340 HydrophobicContact CB-CG1 3.84Å; H337-I340 PolarHBondContact O-N 2.95Å; I340-F399 HydrophobicContact CG1-CD1 4.04Å; I340-F399 HydrophobicContact CG1-CE1 4.46Å; I340-L400 HydrophobicContact CD1-CD1 3.86Å; I340-L400 HydrophobicContact CD1-CD2 4.13Å; I340-L400 HydrophobicContact CD1-CG 3.93Å; I340-K427 PolarHBondContact O-NZ 2.84Å; I340-I428 CarbonylContact C-O 3.46Å; I340-I428 WeakPolarHBondContact CA-O 3.33Å; I340-I428 HydrophobicContact CD1-CB 4Å; I340-I428 HydrophobicContact CD1-CD1 4.29Å; I340-I428 HydrophobicContact CD1-CG1 4.44Å; I340-L431 HydrophobicContact CG2-CD1 3.66Å
341V94.4Very high88.2Confident15 Ų1544.9 Ų44.99%0.09123%0.23CC..PPolyproline II helixtrans-72.2122.1169.6177.20000107.8F343 E364 M366 F418 K427 I428V341-F343 PolarHBondContact O-N 2.96Å; V341-E364 HydrophobicContact CG1-CB 3.93Å; V341-M366 HydrophobicContact CG1-CG 4.21Å; V341-M366 HydrophobicContact CG2-CG 3.86Å; V341-M366 HydrophobicContact CG2-SD 4.2Å; V341-F418 HydrophobicContact CG2-CD2 3.83Å; V341-F418 HydrophobicContact CG2-CE2 4.48Å; V341-F418 HydrophobicContact CG2-CG 4.41Å; V341-K427 HydrophobicContact CG2-CB 3.74Å; V341-I428 PolarHBondContact N-O 3.26Å
342R93.3Very high87.7Confident85 Ų8551.3 Ų51.332%0.32126%0.264SS..PPolyproline II helixtrans-64.8128.9-174.7178174.8-173.6109.621.1111.1Q336 Y344 T363 E364Q336-R342 VanDerWaalsContact CD-NH2 3.28Å; Q336-R342 VanDerWaalsContact NE2-NH2 3.15Å; R342-Y344 HydrophobicContact CG-CD1 4.38Å; R342-Y344 HydrophobicContact CG-CE1 4.17Å; R342-T363 CarbonylContact O-C 3.47Å; R342-T363 VanDerWaalsContact O-CA 3.25Å; R342-T363 WeakPolarHBondContact O-CA 3.44Å; R342-T363 WeakPolarHBondContact O-CB 3.39Å; R342-E364 HydrophobicContact CB-CB 4.07Å; R342-E364 PolarHBondContact N-OE2 2.9Å; R342-E364 PolarHBondContact O-N 2.81Å
343F91.4Very high87Confident13 Ų1354.9 Ų54.96%0.05729%0.289CS..EExtended strand (participates in β ladder)trans-83.1139.9163.6-154.6-101.7000109.5A329 L332 K333 V341 Y346 L361 T363A329-F343 HydrophobicContact CB-CZ 4.37Å; A329-F343 WeakPolarHBondContact O-CE1 3.43Å; L332-F343 HydrophobicContact CB-CB 4.24Å; L332-F343 HydrophobicContact CB-CD1 3.78Å; L332-F343 HydrophobicContact CB-CD2 4Å; L332-F343 HydrophobicContact CB-CE1 4.02Å; L332-F343 HydrophobicContact CB-CE2 4.24Å; L332-F343 HydrophobicContact CB-CG 3.76Å; L332-F343 HydrophobicContact CB-CZ 4.24Å; L332-F343 HydrophobicContact CD1-CD2 4.15Å; L332-F343 HydrophobicContact CD1-CE2 3.86Å; L332-F343 HydrophobicContact CD1-CZ 4.2Å; L332-F343 VanDerWaalsContact O-CB 3.27Å; L332-F343 WeakPolarHBondContact O-CB 3.3Å; K333-F343 HydrophobicContact CB-CD1 4.44Å; K333-F343 HydrophobicContact CG-CD1 3.78Å; K333-F343 HydrophobicContact CG-CE1 4.03Å; V341-F343 PolarHBondContact O-N 2.96Å; F343-Y346 HydrophobicContact CE1-CD1 4.32Å; F343-L361 HydrophobicContact CE2-CB 3.94Å; F343-L361 HydrophobicContact CE2-CD2 3.68Å; F343-L361 HydrophobicContact CE2-CG 4.31Å; F343-L361 HydrophobicContact CZ-CB 4.07Å; F343-L361 HydrophobicContact CZ-CD2 3.94Å; F343-L361 HydrophobicContact CZ-CG 4.28Å; F343-T363 HydrophobicContact CD2-CG2 3.82Å; F343-T363 HydrophobicContact CE2-CG2 4.3Å
344Y92.3Very high86.2Confident59 Ų5955.6 Ų55.623%0.23131%0.308CS..EExtended strand (participates in β ladder)trans-109.5-54.6177.3-67.4-74000112.1F280 V307 R342 V362 E364F280-Y344 HydrophobicContact CZ-CG 4.47Å; V307-Y344 HydrophobicContact CG1-CD2 4.05Å; V307-Y344 HydrophobicContact CG1-CE2 3.73Å; R342-Y344 HydrophobicContact CG-CD1 4.38Å; R342-Y344 HydrophobicContact CG-CE1 4.17Å; Y344-V362 HydrophobicContact CD2-CG1 4.16Å; Y344-V362 PolarHBondContact N-O 3.29Å; Y344-E364 HydrophobicContact CE2-CB 4.29Å
345D91.2Very high85.5Confident33 Ų3358.2 Ų58.218%0.17631%0.314CS..EExtended strand (participates in β ladder)trans-163169.5-177.1-159.19.5000111.7F280 K333 W347 V362F280-D345 HydrophobicContact CE2-CB 3.78Å; F280-D345 HydrophobicContact CZ-CB 4.48Å; K333-D345 WeakPolarHBondContact CE-OD1 3.37Å; K333-D345 IonicContact NZ-OD1 3.55Å; K333-D345 PolarHBondContact NZ-OD1 2.55Å; K333-D345 VanDerWaalsContact NZ-OD1 3.13Å; D345-W347 HydrophobicContact CB-CZ3 4.36Å; D345-V362 PolarHBondContact O-N 3.08Å
346Y89Confident84.8Confident32 Ų3263.1 Ų63.113%0.12533%0.332CS..EExtended strand (participates in β ladder)trans-146.5156.6170.485.6-90.6000112R326 A329 E330 F343 I359 V360R326-Y346 WeakPolarHBondContact CB-OH 3.14Å; R326-Y346 HydrophobicContact CG-CE2 4.05Å; R326-Y346 PolarHBondContact O-OH 2.89Å; R326-Y346 VanDerWaalsContact O-OH 3.14Å; A329-Y346 HydrophobicContact CB-CD1 3.44Å; A329-Y346 VanDerWaalsContact CB-CD1 3.44Å; A329-Y346 HydrophobicContact CB-CD2 4.22Å; A329-Y346 HydrophobicContact CB-CE1 3.65Å; A329-Y346 HydrophobicContact CB-CE2 4.42Å; A329-Y346 HydrophobicContact CB-CG 3.77Å; A329-Y346 WeakPolarHBondContact O-CD1 3.27Å; E330-Y346 HydrophobicContact CB-CE1 4.31Å; E330-Y346 WeakPolarHBondContact OE2-CE1 3.36Å; F343-Y346 HydrophobicContact CE1-CD1 4.32Å; Y346-I359 HydrophobicContact CD2-CG2 4.25Å; Y346-V360 CarbonylContact C-O 3.57Å; Y346-V360 WeakPolarHBondContact CA-O 3.42Å; Y346-V360 VanDerWaalsContact CB-O 3.31Å; Y346-V360 WeakPolarHBondContact CB-O 3.48Å
347W89Confident84.1Confident16 Ų1662.6 Ų62.66%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-157.9149.2168.258.588.3000113.7K276 F280 W309 D345 V360 V362K276-W347 HydrophobicContact CD-CB 4.19Å; K276-W347 HydrophobicContact CD-CG 4.32Å; K276-W347 HydrophobicContact CG-CG 4.4Å; F280-W347 HydrophobicContact CB-CH2 4.32Å; F280-W347 HydrophobicContact CD2-CH2 4.13Å; F280-W347 AromaticContact CD2-CZ3 3.97Å; F280-W347 HydrophobicContact CD2-CZ3 3.97Å; W309-W347 HydrophobicContact CE3-CH2 4.31Å; W309-W347 HydrophobicContact CE3-CZ2 4.3Å; W309-W347 HydrophobicContact CH2-CH2 4.29Å; W309-W347 AromaticContact CH2-CZ2 3.56Å; W309-W347 HydrophobicContact CH2-CZ2 3.56Å; W309-W347 AromaticContact CZ2-CZ2 4Å; W309-W347 HydrophobicContact CZ2-CZ2 4Å; W309-W347 AromaticContact CZ3-CH2 3.96Å; W309-W347 HydrophobicContact CZ3-CH2 3.96Å; W309-W347 AromaticContact CZ3-CZ2 3.71Å; W309-W347 HydrophobicContact CZ3-CZ2 3.71Å; D345-W347 HydrophobicContact CB-CZ3 4.36Å; W347-V360 HydrophobicContact CD2-CB 4.15Å; W347-V360 HydrophobicContact CH2-CB 4.39Å; W347-V360 HydrophobicContact CH2-CG1 3.8Å; W347-V360 HydrophobicContact CZ2-CB 3.76Å; W347-V360 HydrophobicContact CZ2-CG1 3.45Å; W347-V360 VanDerWaalsContact CZ2-CG1 3.45Å; W347-V360 HydrophobicContact CZ2-CG2 4.18Å; W347-V360 PolarHBondContact N-O 3.29Å; W347-V360 PolarHBondContact O-N 3.13Å; W347-V362 HydrophobicContact CH2-CG2 3.45Å; W347-V362 VanDerWaalsContact CH2-CG2 3.45Å; W347-V362 HydrophobicContact CZ3-CG2 3.64Å
348E85.8Confident83.5Confident45 Ų4561.9 Ų61.921%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-68.2132.4162.6-82.2171.8-114.600110.6K276 R322 R326 I359K276-E348 WeakPolarHBondContact CE-O 3.42Å; K276-E348 PolarHBondContact NZ-O 2.8Å; R322-E348 IonicContact NH1-OE2 3.67Å; R322-E348 PolarHBondContact NH1-OE2 2.89Å; R326-E348 WeakPolarHBondContact CD-OE1 3.36Å; R326-E348 IonicContact CZ-OE1 2.82Å; R326-E348 IonicContact NE-OE1 3.91Å; R326-E348 IonicContact NH1-OE1 3.06Å; R326-E348 PolarHBondContact NH1-OE1 2.71Å; R326-E348 IonicContact NH1-OE2 3.29Å; E348-I359 HydrophobicContact CG-CG1 4.21Å
349S85Confident82.9Confident30 Ų3057.7 Ų57.721%0.2130%0.296CS..EExtended strand (participates in β ladder)trans-128.7174.6173.3-163.10000110.8K357 Y358S349-K357 WeakPolarHBondContact O-CA 3.38Å; S349-Y358 PolarHBondContact N-O 3.46Å; S349-Y358 PolarHBondContact O-N 2.74Å; S349-Y358 VanDerWaalsContact O-O 3.1Å; S349-Y358 PolarHBondContact OG-OH 3.26Å
350A79.3Confident82.6Confident45 Ų4557.2 Ų57.237%0.37229%0.293SS..EExtended strand (participates in β ladder)trans-144.2144.5174.500000111R356 K357A350-R356 CarbonylContact C-O 3.59Å; A350-R356 VanDerWaalsContact CA-O 3.27Å; A350-R356 WeakPolarHBondContact CA-O 3.49Å; A350-R356 WeakPolarHBondContact CB-O 3.47Å; A350-K357 HydrophobicContact CB-CG 4.28Å
351D73.6Confident82.3Confident63 Ų6357.5 Ų57.534%0.33730%0.295SS..  trans-54.1154.1177.8-62.516000110.2C353 G354 R356 Y358D351-C353 PolarHBondContact O-N 3.45Å; D351-G354 PolarHBondContact O-N 3.12Å; D351-R356 PolarHBondContact N-O 2.76Å; D351-R356 WeakPolarHBondContact OD2-CB 3.3Å; D351-Y358 WeakPolarHBondContact OD1-CD1 3.32Å
352L66.1Low82.2Confident195 Ų19556.8 Ų56.8100%1.02129%0.291SS*.THydrogen-bonded Turntrans-52.6-16179.1-67.6168.3000115.4
353C66.6Low82.3Confident85 Ų8554 Ų5457%0.57428%0.283SS*.THydrogen-bonded Turntrans-98.50.1176.9-159.80000113.7D351 K355D351-C353 PolarHBondContact O-N 3.45Å; C353-K355 HydrophobicContact CB-CD 4.45Å; C353-K355 PolarHBondContact O-N 3.03Å; C353-K355 WeakPolarHBondContact SG-CE 3.49Å; C353-K355 PolarHBondContact SG-NZ 2.63Å
354G68.8Low82.4Confident57 Ų5755.7 Ų55.759%0.58829%0.291SS*.SBendtrans69.2-8.5-178.200000116.2D351D351-G354 PolarHBondContact O-N 3.12Å
355K69.7Low82.5Confident184 Ų18454.8 Ų54.880%0.829%0.29SS*.SBendtrans-77.2-24.2-169.7-71.5171.3-174.7167.50115.2C353C353-K355 HydrophobicContact CB-CD 4.45Å; C353-K355 PolarHBondContact O-N 3.03Å; C353-K355 WeakPolarHBondContact SG-CE 3.49Å; C353-K355 PolarHBondContact SG-NZ 2.63Å
356R72Confident82.7Confident113 Ų11354.4 Ų54.443%0.42629%0.288SS..  trans-127.7138.8177.1163.6179.9-79150.2-6.1108.4A350 D351A350-R356 CarbonylContact C-O 3.59Å; A350-R356 VanDerWaalsContact CA-O 3.27Å; A350-R356 WeakPolarHBondContact CA-O 3.49Å; A350-R356 WeakPolarHBondContact CB-O 3.47Å; D351-R356 PolarHBondContact N-O 2.76Å; D351-R356 WeakPolarHBondContact OD2-CB 3.3Å
357K77.5Confident82.8Confident101 Ų10158.7 Ų58.744%0.43932%0.317SS..EExtended strand (participates in β ladder)trans-102.3151.5168.8-68.6179.4174.7-170.30109.7E314 S349 A350E314-K357 HydrophobicContact CB-CB 4.08Å; E314-K357 VanDerWaalsContact CB-O 3.22Å; E314-K357 WeakPolarHBondContact CB-O 3.48Å; E314-K357 HydrophobicContact CG-CB 4.45Å; E314-K357 PolarHBondContact N-O 3.27Å; E314-K357 WeakPolarHBondContact OE2-CB 3.15Å; E314-K357 WeakPolarHBondContact OE2-CD 3.19Å; S349-K357 WeakPolarHBondContact O-CA 3.38Å; A350-K357 HydrophobicContact CB-CG 4.28Å
358Y81Confident82.9Confident27 Ų2760.5 Ų60.511%0.10633%0.333CS..EExtended strand (participates in β ladder)trans-144.1155.3173.759.2-82.5000109.5D273 E311 L312 S349 D351 V360D273-Y358 PolarHBondContact OD2-OH 2.78Å; E311-Y358 HydrophobicContact CB-CD2 4.16Å; E311-Y358 HydrophobicContact CG-CD2 4.04Å; E311-Y358 HydrophobicContact CG-CE2 4.16Å; E311-Y358 WeakPolarHBondContact OE1-CE2 3.28Å; L312-Y358 CarbonylContact O-C 3.16Å; L312-Y358 WeakPolarHBondContact O-CA 3.31Å; L312-Y358 VanDerWaalsContact O-CB 3.29Å; L312-Y358 WeakPolarHBondContact O-CB 3.32Å; S349-Y358 PolarHBondContact N-O 3.46Å; S349-Y358 PolarHBondContact O-N 2.74Å; S349-Y358 VanDerWaalsContact O-O 3.1Å; S349-Y358 PolarHBondContact OG-OH 3.26Å; D351-Y358 WeakPolarHBondContact OD1-CD1 3.32Å; Y358-V360 HydrophobicContact CD2-CG2 3.72Å; Y358-V360 HydrophobicContact CE2-CG2 3.49Å; Y358-V360 VanDerWaalsContact CE2-CG2 3.49Å
359I83.3Confident83.2Confident1 Ų158.7 Ų58.71%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-104.8126.3173.9-46.5178.7000107.8E311 L312 E314 L317 F325 Y346 E348E311-I359 WeakPolarHBondContact CA-O 3.44Å; L312-I359 HydrophobicContact CB-CB 4.42Å; L312-I359 PolarHBondContact N-O 2.91Å; L312-I359 PolarHBondContact O-N 3.26Å; E314-I359 HydrophobicContact CG-CG1 4.47Å; L317-I359 HydrophobicContact CD1-CD1 4.31Å; F325-I359 HydrophobicContact CD1-CD1 3.68Å; F325-I359 HydrophobicContact CD1-CG2 4.33Å; F325-I359 HydrophobicContact CE1-CB 4.39Å; F325-I359 HydrophobicContact CE1-CD1 3.86Å; F325-I359 HydrophobicContact CE1-CG2 3.65Å; F325-I359 HydrophobicContact CG-CD1 4.09Å; F325-I359 HydrophobicContact CZ-CD1 4.34Å; F325-I359 HydrophobicContact CZ-CG2 4.26Å; Y346-I359 HydrophobicContact CD2-CG2 4.25Å; E348-I359 HydrophobicContact CG-CG1 4.21Å
360V89.6Confident83.6Confident0 Ų058.1 Ų58.10%032%0.321CS..EExtended strand (participates in β ladder)trans-93.6136.5172.4-173.30000109W309 C310 E311 Y346 W347 Y358 V362W309-V360 HydrophobicContact CD2-CG1 3.78Å; W309-V360 HydrophobicContact CE3-CG1 4.38Å; W309-V360 HydrophobicContact CG-CG1 4.1Å; W309-V360 HydrophobicContact CZ2-CG1 4.03Å; W309-V360 HydrophobicContact CZ2-CG2 4.11Å; C310-V360 CarbonylContact O-C 3.56Å; C310-V360 VanDerWaalsContact O-CA 3.3Å; C310-V360 WeakPolarHBondContact O-CA 3.36Å; E311-V360 HydrophobicContact CG-CG2 4.47Å; Y346-V360 CarbonylContact C-O 3.57Å; Y346-V360 WeakPolarHBondContact CA-O 3.42Å; Y346-V360 VanDerWaalsContact CB-O 3.31Å; Y346-V360 WeakPolarHBondContact CB-O 3.48Å; W347-V360 HydrophobicContact CD2-CB 4.15Å; W347-V360 HydrophobicContact CH2-CB 4.39Å; W347-V360 HydrophobicContact CH2-CG1 3.8Å; W347-V360 HydrophobicContact CZ2-CB 3.76Å; W347-V360 HydrophobicContact CZ2-CG1 3.45Å; W347-V360 VanDerWaalsContact CZ2-CG1 3.45Å; W347-V360 HydrophobicContact CZ2-CG2 4.18Å; W347-V360 PolarHBondContact N-O 3.29Å; W347-V360 PolarHBondContact O-N 3.13Å; Y358-V360 HydrophobicContact CD2-CG2 3.72Å; Y358-V360 HydrophobicContact CE2-CG2 3.49Å; Y358-V360 VanDerWaalsContact CE2-CG2 3.49Å; V360-V362 HydrophobicContact CG1-CG2 4.37Å
361L89.2Confident84.3Confident9 Ų956 Ų565%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-124.4141.5168.3-47.681.5000107.8C310 L312 F325 F343C310-L361 HydrophobicContact CB-CB 4.26Å; C310-L361 HydrophobicContact CB-CD1 4.34Å; C310-L361 PolarHBondContact N-O 2.72Å; C310-L361 PolarHBondContact O-N 2.7Å; L312-L361 HydrophobicContact CD1-CD1 3.67Å; L312-L361 HydrophobicContact CG-CD1 3.65Å; F325-L361 HydrophobicContact CZ-CD1 4.25Å; F325-L361 HydrophobicContact CZ-CD2 3.94Å; F325-L361 HydrophobicContact CZ-CG 4.3Å; F343-L361 HydrophobicContact CE2-CB 3.94Å; F343-L361 HydrophobicContact CE2-CD2 3.68Å; F343-L361 HydrophobicContact CE2-CG 4.31Å; F343-L361 HydrophobicContact CZ-CB 4.07Å; F343-L361 HydrophobicContact CZ-CD2 3.94Å; F343-L361 HydrophobicContact CZ-CG 4.28Å
362V93.4Very high85.2Confident0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-117.8125.8177.8-174.20000110.2F280 V307 A308 Y344 D345 W347 V360F280-V362 HydrophobicContact CB-CG2 4.31Å; F280-V362 HydrophobicContact CD1-CG1 3.73Å; F280-V362 HydrophobicContact CD2-CB 4.44Å; F280-V362 HydrophobicContact CD2-CG1 4.4Å; F280-V362 HydrophobicContact CD2-CG2 4.01Å; F280-V362 HydrophobicContact CE1-CG1 3.91Å; F280-V362 HydrophobicContact CG-CB 4.46Å; F280-V362 HydrophobicContact CG-CG1 3.98Å; F280-V362 HydrophobicContact CG-CG2 4.06Å; F280-V362 HydrophobicContact CZ-CG1 4.33Å; V307-V362 HydrophobicContact CB-CG1 3.74Å; V307-V362 HydrophobicContact CG1-CG1 4.18Å; V307-V362 HydrophobicContact CG2-CG1 3.66Å; A308-V362 WeakPolarHBondContact O-CA 3.35Å; Y344-V362 HydrophobicContact CD2-CG1 4.16Å; Y344-V362 PolarHBondContact N-O 3.29Å; D345-V362 PolarHBondContact O-N 3.08Å; W347-V362 HydrophobicContact CH2-CG2 3.45Å; W347-V362 VanDerWaalsContact CH2-CG2 3.45Å; W347-V362 HydrophobicContact CZ3-CG2 3.64Å; V360-V362 HydrophobicContact CG1-CG2 4.37Å
363T93.7Very high86.5Confident27 Ų2752.8 Ų52.817%0.16628%0.281CS..EExtended strand (participates in β ladder)trans-133.9167.1-177.970.60000112.9V307 A308 R342 F343 L365V307-T363 WeakPolarHBondContact CB-O 3.4Å; A308-T363 PolarHBondContact N-O 3.48Å; A308-T363 PolarHBondContact O-N 3.32Å; R342-T363 CarbonylContact O-C 3.47Å; R342-T363 VanDerWaalsContact O-CA 3.25Å; R342-T363 WeakPolarHBondContact O-CA 3.44Å; R342-T363 WeakPolarHBondContact O-CB 3.39Å; F343-T363 HydrophobicContact CD2-CG2 3.82Å; F343-T363 HydrophobicContact CE2-CG2 4.3Å; T363-L365 PolarHBondContact O-N 2.92Å
364E94.6Very high87.8Confident47 Ų4750.1 Ų50.122%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-54.6131.3169.7176.1-179-169.500111.5V341 R342 Y344 M366 K427V341-E364 HydrophobicContact CG1-CB 3.93Å; R342-E364 HydrophobicContact CB-CB 4.07Å; R342-E364 PolarHBondContact N-OE2 2.9Å; R342-E364 PolarHBondContact O-N 2.81Å; Y344-E364 HydrophobicContact CE2-CB 4.29Å; E364-M366 HydrophobicContact CG-SD 4.06Å; E364-M366 PolarHBondContact O-N 3.19Å; E364-K427 WeakPolarHBondContact OE1-CE 3.45Å; E364-K427 IonicContact OE1-NZ 2.79Å; E364-K427 PolarHBondContact OE1-NZ 3.17Å; E364-K427 IonicContact OE2-NZ 2.64Å; E364-K427 PolarHBondContact OE2-NZ 3.21Å
365L94.5Very high88.9Confident40 Ų4048 Ų4821%0.20923%0.234CC..  trans-83.4107.2-177.818057.7000111.4L287 R297 A306 A308 T363 T367L287-L365 HydrophobicContact CD1-CD1 3.46Å; L287-L365 VanDerWaalsContact CD1-CD1 3.46Å; R297-L365 HydrophobicContact CG-CD2 4.46Å; A306-L365 HydrophobicContact CB-CD2 3.7Å; A306-L365 WeakPolarHBondContact O-CB 3.43Å; A308-L365 HydrophobicContact CB-CD1 4.2Å; T363-L365 PolarHBondContact O-N 2.92Å; L365-T367 HydrophobicContact CD2-CG2 4.2Å; L365-T367 HydrophobicContact CG-CG2 3.95Å; L365-T367 PolarHBondContact O-N 3.11Å
366M94.1Very high89.9Confident26 Ų2648.1 Ų48.113%0.12824%0.235CC..  trans-86.583.5-177.7-64.3-55.3-58.500112.4V341 E364 S368 F418 I419 T420 K427V341-M366 HydrophobicContact CG1-CG 4.21Å; V341-M366 HydrophobicContact CG2-CG 3.86Å; V341-M366 HydrophobicContact CG2-SD 4.2Å; E364-M366 HydrophobicContact CG-SD 4.06Å; E364-M366 PolarHBondContact O-N 3.19Å; M366-S368 PolarHBondContact O-N 3.33Å; M366-F418 HydrophobicContact CB-CB 3.79Å; M366-F418 HydrophobicContact CB-CD1 3.4Å; M366-F418 HydrophobicContact CB-CE1 4.16Å; M366-F418 HydrophobicContact CB-CG 3.74Å; M366-F418 HydrophobicContact CE-CB 3.57Å; M366-F418 HydrophobicContact CG-CB 3.67Å; M366-F418 HydrophobicContact CG-CD1 3.9Å; M366-F418 HydrophobicContact CG-CD2 4.35Å; M366-F418 HydrophobicContact CG-CG 3.71Å; M366-F418 HydrophobicContact SD-CB 4.36Å; M366-I419 WeakPolarHBondContact CE-O 3.22Å; M366-T420 HydrophobicContact CE-CG2 3.91Å; M366-K427 HydrophobicContact CE-CB 4.2Å; M366-K427 HydrophobicContact CE-CD 3.81Å; M366-K427 HydrophobicContact SD-CD 3.77Å
367T91.1Very high90.7Very high121 Ų12152 Ų5274%0.74225%0.25SC*.THydrogen-bonded Turntrans-72.1-26.1-172.655.50000115.7L365 G369L365-T367 HydrophobicContact CD2-CG2 4.2Å; L365-T367 HydrophobicContact CG-CG2 3.95Å; L365-T367 PolarHBondContact O-N 3.11Å; T367-G369 VanDerWaalsContact C-N 3.28Å; T367-G369 PolarHBondContact O-N 2.99Å
368S91.6Very high91.1Very high55 Ų5551.4 Ų51.439%0.38525%0.247SC..THydrogen-bonded Turntrans-81.3-3.1-178.2-720000114.1M366 I419 T420M366-S368 PolarHBondContact O-N 3.33Å; S368-I419 WeakPolarHBondContact CB-O 3.28Å; S368-I419 WeakPolarHBondContact O-CD1 3.33Å; S368-I419 WeakPolarHBondContact O-CG1 3.27Å; S368-T420 WeakPolarHBondContact CB-O 3.47Å; S368-T420 PolarHBondContact OG-O 3.26Å
369G92.1Very high90.9Very high7 Ų758 Ų587%0.07228%0.277CS..  trans89.4-165.2173.500000115.6T367 F418 I419T367-G369 VanDerWaalsContact C-N 3.28Å; T367-G369 PolarHBondContact O-N 2.99Å; G369-F418 WeakPolarHBondContact O-CA 3.36Å; G369-I419 WeakPolarHBondContact O-CG1 3.34Å; G369-I419 PolarHBondContact O-N 3.37Å
370T94Very high90.9Very high18 Ų1868.6 Ų68.611%0.1132%0.316CS..BIsolated β-bridgetrans-105.5158.3-172.270.30000111.8K372 M373 Y374 D415 I417 F418T370-K372 VanDerWaalsContact C-N 3.26Å; T370-K372 PolarHBondContact O-N 2.6Å; T370-M373 CarbonylContact O-C 3.24Å; T370-M373 PolarHBondContact O-N 3.16Å; T370-M373 PolarHBondContact OG1-N 2.92Å; T370-Y374 PolarHBondContact O-N 2.97Å; T370-D415 WeakPolarHBondContact CB-O 3.33Å; T370-D415 WeakPolarHBondContact CG2-O 3.2Å; T370-D415 PolarHBondContact OG1-OD1 3.41Å; T370-I417 CarbonylContact C-O 3.59Å; T370-I417 WeakPolarHBondContact CA-O 3.32Å; T370-F418 HydrophobicContact CG2-CD1 3.91Å; T370-F418 HydrophobicContact CG2-CE1 3.81Å; T370-F418 HydrophobicContact CG2-CZ 4.47Å
371L94.2Very high90.7Very high0 Ų069.8 Ų69.80%032%0.322CS..Hα-helixtrans-59.5-37.3176.5174.260.5000111.8Y374 L375 I381 W389 C414 I417 M477L371-Y374 WeakPolarHBondContact O-CB 3.33Å; L371-Y374 PolarHBondContact O-N 3.39Å; L371-L375 HydrophobicContact CG-CD1 4.44Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.09Å; L371-I381 HydrophobicContact CD1-CD1 4.09Å; L371-W389 HydrophobicContact CD1-CE3 3.71Å; L371-W389 HydrophobicContact CD1-CZ3 3.61Å; L371-C414 HydrophobicContact CB-CB 4.16Å; L371-C414 WeakPolarHBondContact CB-O 3.28Å; L371-C414 HydrophobicContact CD2-CB 4.1Å; L371-C414 HydrophobicContact CG-CB 4Å; L371-C414 PolarHBondContact N-O 2.87Å; L371-I417 HydrophobicContact CB-CB 4.25Å; L371-I417 HydrophobicContact CB-CG2 4.21Å; L371-I417 HydrophobicContact CD2-CB 4.32Å; L371-I417 HydrophobicContact CD2-CD1 4.28Å; L371-I417 HydrophobicContact CD2-CG2 4.08Å; L371-I417 PolarHBondContact N-O 3.11Å; L371-M477 HydrophobicContact CD1-CG 3.93Å; L371-M477 HydrophobicContact CD1-SD 3.83Å; L371-M477 HydrophobicContact CD2-CE 4.16Å; L371-M477 HydrophobicContact CD2-CG 3.81Å; 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
372K93Very high90.5Very high79 Ų7974 Ų7434%0.34335%0.345SS..Hα-helixtrans-60.8-42.9171.1-174.9-173.1-174174.80112.2T370 Y374 L375 K376 C414 D415T370-K372 VanDerWaalsContact C-N 3.26Å; T370-K372 PolarHBondContact O-N 2.6Å; K372-Y374 VanDerWaalsContact C-N 3.35Å; K372-L375 PolarHBondContact O-N 3.06Å; K372-K376 WeakPolarHBondContact O-CB 3.4Å; K372-K376 PolarHBondContact O-N 2.87Å; K372-C414 HydrophobicContact CB-CB 3.98Å; K372-C414 WeakPolarHBondContact CB-O 3.48Å; K372-C414 PolarHBondContact N-O 3.16Å; K372-D415 HydrophobicContact CD-CB 3.85Å; K372-D415 WeakPolarHBondContact CD-OD1 3.19Å; K372-D415 WeakPolarHBondContact CD-OD2 3.46Å; K372-D415 WeakPolarHBondContact CE-OD2 3.48Å; K372-D415 IonicContact NZ-OD2 3.82Å; K372-D415 PolarHBondContact NZ-OD2 3Å
373M92.9Very high90.2Very high111 Ų11176 Ų7655%0.54736%0.356SS..Hα-helixtrans-69.3-32.2175-175.3156.761.700112.4T370 R377T370-M373 CarbonylContact O-C 3.24Å; T370-M373 PolarHBondContact O-N 3.16Å; T370-M373 PolarHBondContact OG1-N 2.92Å; M373-R377 WeakPolarHBondContact O-CB 3.4Å; M373-R377 PolarHBondContact O-N 3.43Å
374Y93Very high89.8Confident30 Ų3080 Ų8012%0.11837%0.371CS..Hα-helixtrans-64.5-49171-174.4-82.8000111.4T370 L371 K372 K376 R377 F378 I381 W389 I419 T422T370-Y374 PolarHBondContact O-N 2.97Å; L371-Y374 WeakPolarHBondContact O-CB 3.33Å; L371-Y374 PolarHBondContact O-N 3.39Å; K372-Y374 VanDerWaalsContact C-N 3.35Å; Y374-K376 PolarHBondContact O-N 2.89Å; Y374-R377 PolarHBondContact O-N 3.33Å; Y374-F378 HydrophobicContact CD1-CB 4.43Å; Y374-F378 AromaticContact CD1-CD2 3.92Å; Y374-F378 HydrophobicContact CD1-CD2 3.92Å; Y374-F378 AromaticContact CD2-CD2 3.49Å; Y374-F378 HydrophobicContact CD2-CD2 3.49Å; Y374-F378 VanDerWaalsContact CD2-CD2 3.49Å; Y374-F378 AromaticContact CD2-CE2 3.58Å; Y374-F378 HydrophobicContact CD2-CE2 3.58Å; Y374-F378 HydrophobicContact CE1-CB 4.02Å; Y374-F378 AromaticContact CE1-CD2 3.79Å; Y374-F378 HydrophobicContact CE1-CD2 3.79Å; Y374-F378 HydrophobicContact CE1-CG 4.19Å; Y374-F378 AromaticContact CE2-CD2 3.39Å; Y374-F378 HydrophobicContact CE2-CD2 3.39Å; Y374-F378 AromaticContact CE2-CE2 3.46Å; Y374-F378 HydrophobicContact CE2-CE2 3.46Å; Y374-F378 VanDerWaalsContact CE2-CE2 3.46Å; Y374-F378 HydrophobicContact CE2-CG 4.29Å; Y374-F378 HydrophobicContact CE2-CZ 4.41Å; Y374-F378 AromaticContact CG-CD2 3.77Å; Y374-F378 HydrophobicContact CG-CD2 3.77Å; Y374-F378 HydrophobicContact CG-CE2 4.28Å; Y374-F378 AromaticContact CZ-CD2 3.55Å; Y374-F378 WeakPolarHBondContact O-CD2 3.37Å; Y374-F378 PolarHBondContact O-N 3.12Å; Y374-I381 HydrophobicContact CD1-CD1 4.46Å; Y374-I381 HydrophobicContact CD1-CG1 4.41Å; Y374-I381 HydrophobicContact CE1-CG1 4.11Å; Y374-W389 AromaticContact CD1-CH2 3.96Å; Y374-W389 HydrophobicContact CD1-CH2 3.96Å; Y374-W389 AromaticContact CD1-CZ3 3.92Å; Y374-W389 HydrophobicContact CD1-CZ3 3.92Å; Y374-W389 AromaticContact CD2-CH2 3.84Å; Y374-W389 HydrophobicContact CD2-CH2 3.84Å; Y374-W389 AromaticContact CE1-CH2 3.91Å; Y374-W389 HydrophobicContact CE1-CH2 3.91Å; Y374-W389 HydrophobicContact CE1-CZ3 4.03Å; Y374-W389 AromaticContact CE2-CH2 3.75Å; Y374-W389 HydrophobicContact CE2-CH2 3.75Å; Y374-W389 AromaticContact CG-CH2 3.93Å; Y374-W389 HydrophobicContact CG-CH2 3.93Å; Y374-W389 HydrophobicContact CG-CZ3 4.21Å; Y374-W389 AromaticContact CZ-CH2 3.79Å; Y374-I419 HydrophobicContact CD2-CD1 3.84Å; Y374-T422 HydrophobicContact CE2-CG2 4.38Å
375L92.1Very high89.5Confident11 Ų1179.6 Ų79.66%0.05837%0.371CS..Hα-helixtrans-58.4-48.6178-77.1166.3000111.7L371 K372 R377 F378 K379 I381 E476 M477L371-L375 HydrophobicContact CG-CD1 4.44Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.09Å; K372-L375 PolarHBondContact O-N 3.06Å; L375-R377 PolarHBondContact O-N 3.09Å; L375-R377 VanDerWaalsContact O-N 3.12Å; L375-F378 PolarHBondContact O-N 3.33Å; L375-K379 WeakPolarHBondContact O-CA 3.16Å; L375-K379 PolarHBondContact O-N 3.48Å; L375-I381 HydrophobicContact CD2-CD1 3.73Å; L375-I381 HydrophobicContact CD2-CG1 3.84Å; L375-I381 HydrophobicContact CG-CD1 4.31Å; L375-E476 HydrophobicContact CD1-CG 4.03Å; L375-M477 HydrophobicContact CD1-CG 4.19Å
376K91Very high89.3Confident187 Ų18778 Ų7881%0.81336%0.363SS*.Hα-helixtrans-56-29.3174.7-173.9174.6-179.3178.30113.3K372 Y374K372-K376 WeakPolarHBondContact O-CB 3.4Å; K372-K376 PolarHBondContact O-N 2.87Å; Y374-K376 PolarHBondContact O-N 2.89Å
377R89.1Confident89.2Confident195 Ų19578 Ų7874%0.73636%0.362SS*.Hα-helixtrans-89-40.3-178.2-176.5173.7-177167.84.4114M373 Y374 L375M373-R377 WeakPolarHBondContact O-CB 3.4Å; M373-R377 PolarHBondContact O-N 3.43Å; Y374-R377 PolarHBondContact O-N 3.33Å; L375-R377 PolarHBondContact O-N 3.09Å; L375-R377 VanDerWaalsContact O-N 3.12Å
378F84.8Confident89.1Confident88 Ų8874 Ų7439%0.38634%0.339SS..Hα-helixtrans-109.4-14.4-169.8-65.5-74.5000114.5Y374 L375 R380 T422Y374-F378 HydrophobicContact CD1-CB 4.43Å; Y374-F378 AromaticContact CD1-CD2 3.92Å; Y374-F378 HydrophobicContact CD1-CD2 3.92Å; Y374-F378 AromaticContact CD2-CD2 3.49Å; Y374-F378 HydrophobicContact CD2-CD2 3.49Å; Y374-F378 VanDerWaalsContact CD2-CD2 3.49Å; Y374-F378 AromaticContact CD2-CE2 3.58Å; Y374-F378 HydrophobicContact CD2-CE2 3.58Å; Y374-F378 HydrophobicContact CE1-CB 4.02Å; Y374-F378 AromaticContact CE1-CD2 3.79Å; Y374-F378 HydrophobicContact CE1-CD2 3.79Å; Y374-F378 HydrophobicContact CE1-CG 4.19Å; Y374-F378 AromaticContact CE2-CD2 3.39Å; Y374-F378 HydrophobicContact CE2-CD2 3.39Å; Y374-F378 AromaticContact CE2-CE2 3.46Å; Y374-F378 HydrophobicContact CE2-CE2 3.46Å; Y374-F378 VanDerWaalsContact CE2-CE2 3.46Å; Y374-F378 HydrophobicContact CE2-CG 4.29Å; Y374-F378 HydrophobicContact CE2-CZ 4.41Å; Y374-F378 AromaticContact CG-CD2 3.77Å; Y374-F378 HydrophobicContact CG-CD2 3.77Å; Y374-F378 HydrophobicContact CG-CE2 4.28Å; Y374-F378 AromaticContact CZ-CD2 3.55Å; Y374-F378 WeakPolarHBondContact O-CD2 3.37Å; Y374-F378 PolarHBondContact O-N 3.12Å; L375-F378 PolarHBondContact O-N 3.33Å; F378-R380 PolarHBondContact O-N 3.07Å; F378-T422 HydrophobicContact CE2-CG2 4.25Å; F378-T422 HydrophobicContact CZ-CG2 4.15Å
379K78.4Confident89.3Confident166 Ų16671.5 Ų71.572%0.72232%0.321SS*.SBendtrans58.7-23.1178.1-60.9-169177.2-170.80118L375L375-K379 WeakPolarHBondContact O-CA 3.16Å; L375-K379 PolarHBondContact O-N 3.48Å
380R81.5Confident89.4Confident223 Ų22371.2 Ų71.284%0.84232%0.318SS*.SBendtrans-140.5136.9175.7-67.1-174.6174.8-177-2.5109.8F378F378-R380 PolarHBondContact O-N 3.07Å
381I86.4Confident89.4Confident25 Ų2572.2 Ų72.213%0.12832%0.32CS..  trans-99139.7174.2-53.1-170.9000108.8L371 Y374 L375 V385 L386 W389 M477L371-I381 HydrophobicContact CD1-CD1 4.09Å; Y374-I381 HydrophobicContact CD1-CD1 4.46Å; Y374-I381 HydrophobicContact CD1-CG1 4.41Å; Y374-I381 HydrophobicContact CE1-CG1 4.11Å; L375-I381 HydrophobicContact CD2-CD1 3.73Å; L375-I381 HydrophobicContact CD2-CG1 3.84Å; L375-I381 HydrophobicContact CG-CD1 4.31Å; I381-V385 HydrophobicContact CG2-CB 3.99Å; I381-V385 HydrophobicContact CG2-CG1 3.99Å; I381-L386 HydrophobicContact CG2-CB 4.06Å; I381-W389 HydrophobicContact CD1-CE3 4.27Å; I381-W389 HydrophobicContact CD1-CZ3 4.03Å; I381-M477 HydrophobicContact CD1-CB 4.02Å; I381-M477 HydrophobicContact CD1-CG 3.79Å; I381-M477 HydrophobicContact CD1-SD 4.12Å
382N85.1Confident89.5Confident99 Ų9973.5 Ų73.553%0.52933%0.326SS..  trans-68.2132.7171179.6-50.9000109.8K384 V385 L386N382-K384 PolarHBondContact O-N 2.62Å; N382-K384 VanDerWaalsContact O-N 3.08Å; N382-K384 PolarHBondContact OD1-N 2.73Å; N382-V385 HydrophobicContact CB-CB 4.45Å; N382-V385 HydrophobicContact CB-CG2 4.15Å; N382-V385 WeakPolarHBondContact O-CA 3.29Å; N382-V385 WeakPolarHBondContact O-CB 3.5Å; N382-V385 PolarHBondContact O-N 2.89Å; N382-L386 PolarHBondContact O-N 3.4Å
383I86.9Confident89.7Confident42 Ų4269.7 Ų69.722%0.21531%0.309CS..Hα-helixtrans-49.6-36.9-178-173.357.4000114.4L386 K387 Y513 I516 F542I383-L386 HydrophobicContact CD1-CD2 4.06Å; I383-L386 PolarHBondContact O-N 3.37Å; I383-K387 HydrophobicContact CD1-CG 4.49Å; I383-K387 WeakPolarHBondContact O-CB 3.13Å; I383-K387 WeakPolarHBondContact O-CG 3.34Å; I383-K387 PolarHBondContact O-N 2.95Å; I383-Y513 HydrophobicContact CD1-CD1 4.48Å; I383-Y513 HydrophobicContact CD1-CE1 4.32Å; I383-Y513 HydrophobicContact CG1-CE1 4.16Å; I383-I516 HydrophobicContact CD1-CD1 3.83Å; I383-F542 HydrophobicContact CD1-CE2 3.87Å; I383-F542 HydrophobicContact CD1-CZ 3.73Å
384K85Confident89.9Confident110 Ų11064.5 Ų64.548%0.47828%0.284SS..Hα-helixtrans-69.1-37.6176.3-69.2-174.5175.2-90.90112.4N382 S388 E546N382-K384 PolarHBondContact O-N 2.62Å; N382-K384 VanDerWaalsContact O-N 3.08Å; N382-K384 PolarHBondContact OD1-N 2.73Å; K384-S388 VanDerWaalsContact O-CB 3.31Å; K384-S388 WeakPolarHBondContact O-CB 3.47Å; K384-S388 PolarHBondContact O-N 2.97Å; K384-S388 VanDerWaalsContact O-N 3.08Å; K384-E546 IonicContact NZ-OE2 3.86Å; K384-E546 PolarHBondContact NZ-OE2 2.85Å
385V88.7Confident90.1Very high38 Ų3868 Ų6823%0.2330%0.299CS..Hα-helixtrans-68.6-43.9174.3179.30000110I381 N382 S388 W389I381-V385 HydrophobicContact CG2-CB 3.99Å; I381-V385 HydrophobicContact CG2-CG1 3.99Å; N382-V385 HydrophobicContact CB-CB 4.45Å; N382-V385 HydrophobicContact CB-CG2 4.15Å; N382-V385 WeakPolarHBondContact O-CA 3.29Å; N382-V385 WeakPolarHBondContact O-CB 3.5Å; N382-V385 PolarHBondContact O-N 2.89Å; V385-S388 PolarHBondContact O-N 3.22Å; V385-W389 HydrophobicContact CG1-CD2 3.67Å; V385-W389 VanDerWaalsContact CG1-CE2 3.49Å; V385-W389 HydrophobicContact CG1-CE3 3.98Å; V385-W389 HydrophobicContact CG1-CG 4.25Å; V385-W389 HydrophobicContact CG1-CH2 4Å; V385-W389 HydrophobicContact CG1-CZ2 3.68Å; V385-W389 HydrophobicContact CG1-CZ3 4.14Å; V385-W389 PolarHBondContact O-N 3.32Å
386L91.4Very high90.3Very high7 Ų767.4 Ų67.44%0.03730%0.297CS..Hα-helixtrans-55-56.8175.2-178.269.9000111.3I381 N382 I383 S388 W389 C390 L474 M477 V478 I516I381-L386 HydrophobicContact CG2-CB 4.06Å; N382-L386 PolarHBondContact O-N 3.4Å; I383-L386 HydrophobicContact CD1-CD2 4.06Å; I383-L386 PolarHBondContact O-N 3.37Å; L386-S388 VanDerWaalsContact C-N 3.26Å; L386-S388 PolarHBondContact O-N 3.07Å; L386-W389 PolarHBondContact O-N 3.2Å; L386-C390 WeakPolarHBondContact O-CB 3.27Å; L386-C390 PolarHBondContact O-N 3.16Å; L386-C390 PolarHBondContact O-SG 3.42Å; L386-L474 HydrophobicContact CD1-CD1 4.12Å; L386-L474 HydrophobicContact CD2-CD1 4.34Å; L386-L474 HydrophobicContact CG-CD1 4.38Å; L386-M477 HydrophobicContact CD1-CB 3.55Å; L386-M477 HydrophobicContact CD1-CE 4.17Å; L386-M477 HydrophobicContact CD1-CG 4.23Å; L386-M477 HydrophobicContact CD1-SD 3.73Å; L386-V478 HydrophobicContact CD1-CG2 4.42Å; L386-V478 HydrophobicContact CD2-CG2 3.64Å; L386-I516 HydrophobicContact CD2-CD1 4.01Å
387K90.1Very high90.6Very high25 Ų2558.5 Ų58.511%0.10926%0.258CS..Hα-helixtrans-53.4-43.5175.8-76.2-178.8172.3-169.40112.1I383 R391 F542 E546I383-K387 HydrophobicContact CD1-CG 4.49Å; I383-K387 WeakPolarHBondContact O-CB 3.13Å; I383-K387 WeakPolarHBondContact O-CG 3.34Å; I383-K387 PolarHBondContact O-N 2.95Å; K387-R391 VanDerWaalsContact O-CB 3.25Å; K387-R391 WeakPolarHBondContact O-CB 3.42Å; K387-R391 PolarHBondContact O-N 3Å; K387-F542 HydrophobicContact CD-CD2 4.48Å; K387-F542 HydrophobicContact CD-CE2 4.24Å; K387-F542 HydrophobicContact CD-CZ 4.31Å; K387-F542 VanDerWaalsContact CD-O 3.25Å; K387-F542 WeakPolarHBondContact CD-O 3.26Å; K387-F542 VanDerWaalsContact CE-O 3.23Å; K387-F542 WeakPolarHBondContact CE-O 3.2Å; K387-F542 HydrophobicContact CG-CD1 4.24Å; K387-F542 HydrophobicContact CG-CD2 4.47Å; K387-F542 HydrophobicContact CG-CE1 3.72Å; K387-F542 HydrophobicContact CG-CE2 4Å; K387-F542 HydrophobicContact CG-CZ 3.57Å; K387-F542 WeakPolarHBondContact CG-O 3.26Å; K387-E546 WeakPolarHBondContact CD-OE1 3.41Å; K387-E546 IonicContact NZ-OE1 2.58Å; K387-E546 PolarHBondContact NZ-OE1 3.16Å
388S90.3Very high90.9Very high38 Ų3850.6 Ų50.627%0.26623%0.232SC..Hα-helixtrans-66.8-43.4-179.4-167.30000113.1K384 V385 L386 Q392K384-S388 VanDerWaalsContact O-CB 3.31Å; K384-S388 WeakPolarHBondContact O-CB 3.47Å; K384-S388 PolarHBondContact O-N 2.97Å; K384-S388 VanDerWaalsContact O-N 3.08Å; V385-S388 PolarHBondContact O-N 3.22Å; L386-S388 VanDerWaalsContact C-N 3.26Å; L386-S388 PolarHBondContact O-N 3.07Å; S388-Q392 WeakPolarHBondContact O-CB 3.43Å; S388-Q392 WeakPolarHBondContact O-CG 3.33Å; S388-Q392 PolarHBondContact O-N 2.93Å; S388-Q392 PolarHBondContact O-NE2 2.74Å; S388-Q392 PolarHBondContact OG-NE2 2.86Å
389W94.6Very high91.4Very high3 Ų347.9 Ų47.91%0.01122%0.22CC..Hα-helixtrans-71.1-41.3178.3-71.7-7.8000112L371 Y374 I381 V385 L386 Q392 I393 I419 G424 V426L371-W389 HydrophobicContact CD1-CE3 3.71Å; L371-W389 HydrophobicContact CD1-CZ3 3.61Å; Y374-W389 AromaticContact CD1-CH2 3.96Å; Y374-W389 HydrophobicContact CD1-CH2 3.96Å; Y374-W389 AromaticContact CD1-CZ3 3.92Å; Y374-W389 HydrophobicContact CD1-CZ3 3.92Å; Y374-W389 AromaticContact CD2-CH2 3.84Å; Y374-W389 HydrophobicContact CD2-CH2 3.84Å; Y374-W389 AromaticContact CE1-CH2 3.91Å; Y374-W389 HydrophobicContact CE1-CH2 3.91Å; Y374-W389 HydrophobicContact CE1-CZ3 4.03Å; Y374-W389 AromaticContact CE2-CH2 3.75Å; Y374-W389 HydrophobicContact CE2-CH2 3.75Å; Y374-W389 AromaticContact CG-CH2 3.93Å; Y374-W389 HydrophobicContact CG-CH2 3.93Å; Y374-W389 HydrophobicContact CG-CZ3 4.21Å; Y374-W389 AromaticContact CZ-CH2 3.79Å; I381-W389 HydrophobicContact CD1-CE3 4.27Å; I381-W389 HydrophobicContact CD1-CZ3 4.03Å; V385-W389 HydrophobicContact CG1-CD2 3.67Å; V385-W389 VanDerWaalsContact CG1-CE2 3.49Å; V385-W389 HydrophobicContact CG1-CE3 3.98Å; V385-W389 HydrophobicContact CG1-CG 4.25Å; V385-W389 HydrophobicContact CG1-CH2 4Å; V385-W389 HydrophobicContact CG1-CZ2 3.68Å; V385-W389 HydrophobicContact CG1-CZ3 4.14Å; V385-W389 PolarHBondContact O-N 3.32Å; L386-W389 PolarHBondContact O-N 3.2Å; W389-Q392 WeakPolarHBondContact O-CB 3.3Å; W389-Q392 PolarHBondContact O-N 3.48Å; W389-Q392 VanDerWaalsContact O-N 3.09Å; W389-I393 WeakPolarHBondContact O-CG1 3.37Å; W389-I393 PolarHBondContact O-N 3.15Å; W389-I419 HydrophobicContact CH2-CG2 3.92Å; W389-I419 HydrophobicContact CZ2-CG2 3.91Å; W389-I419 HydrophobicContact CZ3-CG2 4.39Å; W389-G424 PolarHBondContact NE1-O 2.9Å; W389-V426 HydrophobicContact CB-CG1 4.06Å; W389-V426 HydrophobicContact CB-CG2 4.02Å; W389-V426 HydrophobicContact CD2-CG1 3.83Å; W389-V426 HydrophobicContact CE3-CG1 4.44Å; W389-V426 HydrophobicContact CG-CG1 3.65Å; W389-V426 HydrophobicContact CG-CG2 4.24Å; W389-V426 WeakPolarHBondContact O-CG2 3.42Å
390C95.7Very high92.1Very high0 Ų040 Ų400%019%0.186CC..Hα-helixtrans-61.9-47.6176.7-640000112L386 Q392 I393 L394 F470 M477 F543L386-C390 WeakPolarHBondContact O-CB 3.27Å; L386-C390 PolarHBondContact O-N 3.16Å; L386-C390 PolarHBondContact O-SG 3.42Å; C390-Q392 PolarHBondContact O-N 2.87Å; C390-I393 PolarHBondContact O-N 3.45Å; C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.38Å; C390-F470 HydrophobicContact CB-CE2 4.06Å; C390-F470 HydrophobicContact CB-CZ 4.07Å; C390-M477 WeakPolarHBondContact SG-CE 3.38Å; C390-F543 HydrophobicContact CB-CD1 3.86Å; C390-F543 HydrophobicContact CB-CE1 3.25Å; C390-F543 HydrophobicContact CB-CZ 4.08Å
391R93.9Very high92.6Very high39 Ų3930.7 Ų30.715%0.14715%0.152CC..Hα-helixtrans-56.4-33.8172.3172.4173.853-120.93.1112.7K387 K395 F543 T544K387-R391 VanDerWaalsContact O-CB 3.25Å; K387-R391 WeakPolarHBondContact O-CB 3.42Å; K387-R391 PolarHBondContact O-N 3Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.37Å; R391-K395 PolarHBondContact O-N 3.1Å; R391-F543 WeakPolarHBondContact CD-O 3.48Å; R391-F543 PolarHBondContact NH1-O 2.75Å; R391-T544 PolarHBondContact NH1-O 3.25Å
392Q95.5Very high92.9Very high27 Ų2732.4 Ų32.413%0.12616%0.164CC..Hα-helixtrans-75.3-39.4177.2-79174.473.500112.9N339 S388 W389 C390 K395 G396 V426N339-Q392 VanDerWaalsContact CB-O 3.29Å; N339-Q392 WeakPolarHBondContact CB-O 3.5Å; N339-Q392 WeakPolarHBondContact ND2-CB 3.47Å; N339-Q392 WeakPolarHBondContact ND2-CG 3.29Å; N339-Q392 PolarHBondContact ND2-OE1 3.33Å; S388-Q392 WeakPolarHBondContact O-CB 3.43Å; S388-Q392 WeakPolarHBondContact O-CG 3.33Å; S388-Q392 PolarHBondContact O-N 2.93Å; S388-Q392 PolarHBondContact O-NE2 2.74Å; S388-Q392 PolarHBondContact OG-NE2 2.86Å; W389-Q392 WeakPolarHBondContact O-CB 3.3Å; W389-Q392 PolarHBondContact O-N 3.48Å; W389-Q392 VanDerWaalsContact O-N 3.09Å; C390-Q392 PolarHBondContact O-N 2.87Å; Q392-K395 PolarHBondContact O-N 2.82Å; Q392-G396 PolarHBondContact O-N 3.04Å; Q392-V426 HydrophobicContact CB-CG2 3.46Å; Q392-V426 VanDerWaalsContact CB-CG2 3.46Å; Q392-V426 HydrophobicContact CG-CG2 4.47Å; Q392-V426 VanDerWaalsContact OE1-N 3.12Å
393I97.5Very high93.1Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-62-48.7172.1-63.7154.9000109.5W389 C390 K395 G396 L397 I417 V426 I428 F470 M477W389-I393 WeakPolarHBondContact O-CG1 3.37Å; W389-I393 PolarHBondContact O-N 3.15Å; C390-I393 PolarHBondContact O-N 3.45Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.25Å; I393-G396 CarbonylContact O-C 3.58Å; I393-G396 WeakPolarHBondContact O-CA 3.22Å; I393-G396 PolarHBondContact O-N 3.41Å; I393-L397 HydrophobicContact CG2-CD1 4.35Å; I393-L397 HydrophobicContact CG2-CG 4.44Å; I393-L397 PolarHBondContact O-N 2.72Å; I393-I417 HydrophobicContact CD1-CD1 3.92Å; I393-I417 HydrophobicContact CD1-CG2 4.23Å; I393-I417 HydrophobicContact CG1-CD1 4.23Å; I393-I417 HydrophobicContact CG1-CG2 4.19Å; I393-I417 HydrophobicContact CG2-CD1 4.48Å; I393-V426 HydrophobicContact CG1-CG2 4.02Å; I393-I428 HydrophobicContact CG2-CD1 4.04Å; I393-F470 HydrophobicContact CB-CD2 4.32Å; I393-F470 HydrophobicContact CB-CE2 4.36Å; I393-F470 HydrophobicContact CG2-CD2 3.79Å; I393-F470 HydrophobicContact CG2-CE2 4.32Å; I393-M477 HydrophobicContact CD1-CE 4.2Å
394L97.4Very high92.8Very high1 Ų137.4 Ų37.41%0.00519%0.185CC..Hα-helixtrans-59.4-36.8176.6-69.9169.6000112.8C390 S398 F470 V534 L537 L538 F543C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.38Å; L394-S398 WeakPolarHBondContact O-CB 3.35Å; L394-S398 PolarHBondContact O-N 3.34Å; L394-F470 HydrophobicContact CD1-CE1 4.2Å; L394-F470 HydrophobicContact CD1-CE2 4.26Å; L394-F470 HydrophobicContact CD1-CZ 3.72Å; L394-F470 HydrophobicContact CD2-CD1 3.95Å; L394-F470 HydrophobicContact CD2-CD2 4.16Å; L394-F470 HydrophobicContact CD2-CE1 3.79Å; L394-F470 HydrophobicContact CD2-CE2 4Å; L394-F470 HydrophobicContact CD2-CG 4.14Å; L394-F470 HydrophobicContact CD2-CZ 3.81Å; L394-F470 HydrophobicContact CG-CD2 4.31Å; L394-F470 HydrophobicContact CG-CE1 4.15Å; L394-F470 HydrophobicContact CG-CE2 3.74Å; L394-F470 HydrophobicContact CG-CZ 3.65Å; L394-V534 HydrophobicContact CB-CG1 4.32Å; L394-V534 HydrophobicContact CD2-CG1 4.05Å; L394-V534 WeakPolarHBondContact O-CG1 3.29Å; L394-L537 HydrophobicContact CD1-CB 3.87Å; L394-L537 HydrophobicContact CD2-CB 3.82Å; L394-L537 HydrophobicContact CD2-CD1 3.82Å; L394-L537 HydrophobicContact CD2-CG 4.49Å; L394-L538 HydrophobicContact CB-CD2 3.56Å; L394-L538 HydrophobicContact CB-CG 3.91Å; L394-L538 HydrophobicContact CD1-CD2 4.5Å; L394-F543 HydrophobicContact CD1-CD2 3.93Å; L394-F543 HydrophobicContact CD1-CE2 3.96Å; L394-F543 HydrophobicContact CD1-CG 4.18Å; L394-F543 HydrophobicContact CD1-CZ 4.3Å
395K96.5Very high92.7Very high103 Ų10334.5 Ų34.545%0.44818%0.177SC..Hα-helixtrans-65.9-39.7171-78.2-179.6178-167.80112.5H337 R391 Q392 I393 F399 L538H337-K395 PolarHBondContact CE1-O 2.69Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.37Å; R391-K395 PolarHBondContact O-N 3.1Å; Q392-K395 PolarHBondContact O-N 2.82Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.25Å; K395-F399 WeakPolarHBondContact O-CB 3.45Å; K395-F399 PolarHBondContact O-N 2.94Å; K395-L538 HydrophobicContact CG-CD2 3.97Å
396G96.6Very high92.6Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-59.7-50.9173.100000112.3Q392 I393 F399 L400Q392-G396 PolarHBondContact O-N 3.04Å; I393-G396 CarbonylContact O-C 3.58Å; I393-G396 WeakPolarHBondContact O-CA 3.22Å; I393-G396 PolarHBondContact O-N 3.41Å; G396-F399 WeakPolarHBondContact O-CB 3.47Å; G396-F399 PolarHBondContact O-N 3.31Å; G396-L400 WeakPolarHBondContact O-CG 3.29Å; G396-L400 PolarHBondContact O-N 2.68Å; G396-L400 VanDerWaalsContact O-N 3.12Å
397L96.7Very high92.3Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-61.3-46.6176.3-64.8-179.2000111.8I393 F399 L400 H401 L412 I428 D466 F470 V534I393-L397 HydrophobicContact CG2-CD1 4.35Å; I393-L397 HydrophobicContact CG2-CG 4.44Å; I393-L397 PolarHBondContact O-N 2.72Å; L397-F399 VanDerWaalsContact C-N 3.25Å; L397-F399 PolarHBondContact O-N 2.7Å; L397-L400 PolarHBondContact O-N 2.81Å; L397-H401 WeakPolarHBondContact O-CB 3.25Å; L397-H401 VanDerWaalsContact O-CG 3.22Å; L397-H401 PolarHBondContact O-N 3.09Å; L397-L412 HydrophobicContact CD1-CD2 3.89Å; L397-L412 HydrophobicContact CD2-CD1 4.45Å; L397-L412 HydrophobicContact CD2-CD2 4.11Å; L397-L412 HydrophobicContact CG-CD2 4.47Å; L397-I428 HydrophobicContact CD2-CD1 3.96Å; L397-I428 HydrophobicContact CG-CD1 4.08Å; L397-D466 HydrophobicContact CD1-CB 4.2Å; L397-D466 HydrophobicContact CD2-CB 3.97Å; L397-F470 HydrophobicContact CD1-CB 4.2Å; L397-V534 HydrophobicContact CB-CG1 4.19Å; L397-V534 HydrophobicContact CB-CG2 4.2Å
398S96Very high92.1Very high29 Ų2933 Ų3320%0.20317%0.171CC..Hα-helixtrans-57.4-38.2176.5-173.30000112.2L394 T402L394-S398 WeakPolarHBondContact O-CB 3.35Å; L394-S398 PolarHBondContact O-N 3.34Å; S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.49Å; S398-T402 WeakPolarHBondContact O-CG2 3.41Å; S398-T402 PolarHBondContact O-N 3.29Å; S398-T402 VanDerWaalsContact O-N 3.09Å; S398-T402 PolarHBondContact O-OG1 3.08Å
399F95.5Very high92Very high30 Ų3031.3 Ų31.313%0.13216%0.159CC..Hα-helixtrans-63.4-45.4172.7172.1-95000112.3L335 H337 I340 K395 G396 L397 T402 R403L335-F399 HydrophobicContact CB-CE1 4.13Å; L335-F399 HydrophobicContact CD2-CE1 3.95Å; L335-F399 HydrophobicContact CD2-CZ 4.34Å; H337-F399 HydrophobicContact CB-CB 4.36Å; H337-F399 HydrophobicContact CB-CD1 3.61Å; H337-F399 HydrophobicContact CB-CD2 3.86Å; H337-F399 HydrophobicContact CB-CE1 3.74Å; H337-F399 HydrophobicContact CB-CE2 3.98Å; H337-F399 HydrophobicContact CB-CG 3.66Å; H337-F399 HydrophobicContact CB-CZ 3.93Å; H337-F399 AromaticContact CD2-CD2 3.81Å; H337-F399 AromaticContact CD2-CG 3.83Å; H337-F399 AromaticContact CG-CD2 3.99Å; H337-F399 AromaticContact CG-CG 3.69Å; I340-F399 HydrophobicContact CG1-CD1 4.04Å; I340-F399 HydrophobicContact CG1-CE1 4.46Å; K395-F399 WeakPolarHBondContact O-CB 3.45Å; K395-F399 PolarHBondContact O-N 2.94Å; G396-F399 WeakPolarHBondContact O-CB 3.47Å; G396-F399 PolarHBondContact O-N 3.31Å; L397-F399 VanDerWaalsContact C-N 3.25Å; L397-F399 PolarHBondContact O-N 2.7Å; F399-T402 PolarHBondContact O-N 2.78Å; F399-T402 PolarHBondContact O-OG1 3.05Å; F399-R403 PolarHBondContact O-N 3Å; F399-R403 PolarHBondContact O-NE 3.04Å; F399-R403 PolarHBondContact O-NH2 2.97Å
400L93Very high91.4Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-66.4-46.5179-63.4173.3000112.4L335 I340 G396 L397 T402 R403 V407 L431L335-L400 HydrophobicContact CD1-CD2 3.82Å; I340-L400 HydrophobicContact CD1-CD1 3.86Å; I340-L400 HydrophobicContact CD1-CD2 4.13Å; I340-L400 HydrophobicContact CD1-CG 3.93Å; G396-L400 WeakPolarHBondContact O-CG 3.29Å; G396-L400 PolarHBondContact O-N 2.68Å; G396-L400 VanDerWaalsContact O-N 3.12Å; L397-L400 PolarHBondContact O-N 2.81Å; L400-T402 PolarHBondContact O-N 2.83Å; L400-R403 WeakPolarHBondContact O-CB 3.21Å; L400-R403 WeakPolarHBondContact O-CG 3.42Å; L400-R403 PolarHBondContact O-N 2.75Å; L400-R403 VanDerWaalsContact O-N 3.12Å; L400-V407 CarbonylContact C-O 3.55Å; L400-V407 HydrophobicContact CB-CB 4.22Å; L400-V407 WeakPolarHBondContact CB-O 3.29Å; L400-V407 HydrophobicContact CD2-CB 4.33Å; L400-V407 HydrophobicContact CD2-CG1 4.13Å; L400-V407 PolarHBondContact O-N 3.43Å; L400-L431 HydrophobicContact CD1-CD2 3.86Å; L400-L431 HydrophobicContact CD2-CD1 3.96Å; L400-L431 HydrophobicContact CD2-CD2 4.46Å
401H93Very high90.8Very high28 Ų2835.9 Ų35.913%0.1318%0.18CC..Hα-helixtrans-67.9-17.1178.4-61.1167.2000113.4L397 V407 E463 D466L397-H401 WeakPolarHBondContact O-CB 3.25Å; L397-H401 VanDerWaalsContact O-CG 3.22Å; L397-H401 PolarHBondContact O-N 3.09Å; H401-V407 PolarHBondContact CD2-O 3.09Å; H401-E463 HydrophobicContact CB-CG 3.98Å; H401-E463 PolarHBondContact CE1-O 3.24Å; H401-D466 IonicContact CD2-OD2 3.25Å; H401-D466 IonicContact CE1-OD2 2.72Å; H401-D466 IonicContact NE2-OD2 3.86Å; H401-D466 PolarHBondContact NE2-OD2 2.97Å
402T91.6Very high90.7Very high62 Ų6234 Ų3438%0.3817%0.173SC..THydrogen-bonded Turntrans-102.316.3173.558.80000113.6S398 F399 L400S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.49Å; S398-T402 WeakPolarHBondContact O-CG2 3.41Å; S398-T402 PolarHBondContact O-N 3.29Å; S398-T402 VanDerWaalsContact O-N 3.09Å; S398-T402 PolarHBondContact O-OG1 3.08Å; F399-T402 PolarHBondContact O-N 2.78Å; F399-T402 PolarHBondContact O-OG1 3.05Å; L400-T402 PolarHBondContact O-N 2.83Å
403R89Confident90.6Very high85 Ų8534.1 Ų34.132%0.32117%0.173SC..SBendtrans-74.8163.5164.8-62.1-5185.3-159-6.8110.3L335 F399 L400 P405 P406 V407L335-R403 HydrophobicContact CD2-CG 3.75Å; F399-R403 PolarHBondContact O-N 3Å; F399-R403 PolarHBondContact O-NE 3.04Å; F399-R403 PolarHBondContact O-NH2 2.97Å; L400-R403 WeakPolarHBondContact O-CB 3.21Å; L400-R403 WeakPolarHBondContact O-CG 3.42Å; L400-R403 PolarHBondContact O-N 2.75Å; L400-R403 VanDerWaalsContact O-N 3.12Å; R403-P405 CarbonylContact C-O 3.59Å; R403-P405 VanDerWaalsContact CB-O 3.26Å; R403-P405 WeakPolarHBondContact CB-O 3.36Å; R403-P405 CarbonylContact O-C 3.58Å; R403-P406 WeakPolarHBondContact O-CA 3.39Å; R403-P406 VanDerWaalsContact O-N 3.12Å; R403-V407 HydrophobicContact CB-CG2 4.09Å; R403-V407 HydrophobicContact CG-CG2 4.07Å
404N81.7Confident90.5Very high161 Ų16134.1 Ų34.186%0.86117%0.173SC*.SBendtrans-125.1104.9175.2-66.596.1000108.9
405P81.5Confident90.2Very high48 Ų4836.8 Ų36.831%0.31219%0.187SC..SBendcis-65.6160.8-6.829.2-37000113.8R403 L436R403-P405 CarbonylContact C-O 3.59Å; R403-P405 VanDerWaalsContact CB-O 3.26Å; R403-P405 WeakPolarHBondContact CB-O 3.36Å; R403-P405 CarbonylContact O-C 3.58Å; P405-L436 HydrophobicContact CB-CD2 4.37Å; P405-L436 HydrophobicContact CG-CD1 3.79Å; P405-L436 HydrophobicContact CG-CD2 3.54Å; P405-L436 HydrophobicContact CG-CG 4.22Å
406P86.7Confident90Very high27 Ų2732.3 Ų32.318%0.17517%0.168CC..PPolyproline II helixtrans-60.6140.6175.4-25.535.8000112.7R403 K437 E463R403-P406 WeakPolarHBondContact O-CA 3.39Å; R403-P406 VanDerWaalsContact O-N 3.12Å; P406-K437 HydrophobicContact CB-CD 4.38Å; P406-K437 HydrophobicContact CG-CD 4.41Å; P406-E463 WeakPolarHBondContact CB-OE1 3.41Å
407V84.8Confident90Very high11 Ų1132.3 Ų32.37%0.06717%0.168CC..BIsolated β-bridgetrans-102.6122.3175.71780000108.7L400 H401 R403 A434L400-V407 CarbonylContact C-O 3.55Å; L400-V407 HydrophobicContact CB-CB 4.22Å; L400-V407 WeakPolarHBondContact CB-O 3.29Å; L400-V407 HydrophobicContact CD2-CB 4.33Å; L400-V407 HydrophobicContact CD2-CG1 4.13Å; L400-V407 PolarHBondContact O-N 3.43Å; H401-V407 PolarHBondContact CD2-O 3.09Å; R403-V407 HydrophobicContact CB-CG2 4.09Å; R403-V407 HydrophobicContact CG-CG2 4.07Å; V407-A434 HydrophobicContact CG1-CB 4.1Å
408I86.3Confident90Very high0 Ų034.2 Ų34.20%018%0.176CC..  trans-104.5130.8177.8-55.1165.9000108R410 A434 K437 Y461 E463 V465I408-R410 HydrophobicContact CB-CG 4.37Å; I408-R410 HydrophobicContact CG2-CG 3.89Å; I408-A434 WeakPolarHBondContact O-CB 3.19Å; I408-K437 HydrophobicContact CD1-CB 3.94Å; I408-K437 HydrophobicContact CD1-CD 4.26Å; I408-K437 HydrophobicContact CD1-CG 4.14Å; I408-Y461 HydrophobicContact CD1-CD2 4.13Å; I408-Y461 HydrophobicContact CD1-CE2 4.34Å; I408-Y461 HydrophobicContact CG2-CD2 4.46Å; I408-E463 HydrophobicContact CG1-CG 4.37Å; I408-V465 HydrophobicContact CG2-CG2 3.67Å
409H87.9Confident89.9Confident3 Ų333.1 Ų33.11%0.01417%0.168CC..  trans-74.6-41.6-174.1-171.9-59.8000112.8D411 L412 I428 G429 L431 D466H409-D411 VanDerWaalsContact CE1-C 3.46Å; H409-D411 PolarHBondContact CE1-O 3.36Å; H409-D411 VanDerWaalsContact ND1-C 3.27Å; H409-D411 PolarHBondContact ND1-N 2.77Å; H409-D411 PolarHBondContact O-N 2.58Å; H409-L412 PolarHBondContact ND1-N 2.98Å; H409-I428 WeakPolarHBondContact CD2-CG2 3.31Å; H409-I428 WeakPolarHBondContact NE2-CG2 3.46Å; H409-G429 PolarHBondContact NE2-O 3.44Å; H409-L431 HydrophobicContact CB-CD2 4.47Å; H409-L431 VanDerWaalsContact CD2-CD2 3.41Å; H409-L431 WeakPolarHBondContact CD2-CD2 3.5Å; H409-D466 WeakPolarHBondContact CB-OD1 3.2Å; H409-D466 PolarHBondContact N-OD1 2.97Å; H409-D466 PolarHBondContact N-OD2 3.26Å
410R82.9Confident89.7Confident49 Ų4934.3 Ų34.319%0.18518%0.178CC..SBendtrans66.9-46.6178.8-45.3-173.3-60.9161.33.7116I408 L433 T435 M456 Y461 D466I408-R410 HydrophobicContact CB-CG 4.37Å; I408-R410 HydrophobicContact CG2-CG 3.89Å; R410-L433 PolarHBondContact NE-O 3.26Å; R410-L433 PolarHBondContact NH2-O 3.34Å; R410-T435 WeakPolarHBondContact CD-OG1 3.36Å; R410-T435 VanDerWaalsContact CZ-CG2 3.45Å; R410-T435 PolarHBondContact NE-OG1 3.42Å; R410-T435 PolarHBondContact NH1-OG1 3.17Å; R410-M456 HydrophobicContact CB-CE 4.43Å; R410-M456 HydrophobicContact CB-SD 4.33Å; R410-M456 WeakPolarHBondContact O-CE 3.34Å; R410-Y461 VanDerWaalsContact CD-CE2 3.45Å; R410-Y461 VanDerWaalsContact CD-CZ 3.44Å; R410-Y461 VanDerWaalsContact CD-OH 3.32Å; R410-Y461 WeakPolarHBondContact CD-OH 3.24Å; R410-Y461 HydrophobicContact CG-CE2 4.07Å; R410-Y461 PolarHBondContact NH1-OH 2.77Å; R410-D466 PolarHBondContact N-OD1 3.48Å
411D83.1Confident89.2Confident50 Ų5035.1 Ų35.127%0.26719%0.186SC..SBendtrans-101.943.5178.6-166.344.5000112.4H409 K413 N416H409-D411 VanDerWaalsContact CE1-C 3.46Å; H409-D411 PolarHBondContact CE1-O 3.36Å; H409-D411 VanDerWaalsContact ND1-C 3.27Å; H409-D411 PolarHBondContact ND1-N 2.77Å; H409-D411 PolarHBondContact O-N 2.58Å; D411-K413 PolarHBondContact O-N 2.94Å; D411-K413 IonicContact OD1-NZ 2.71Å; D411-K413 PolarHBondContact OD1-NZ 3.48Å; D411-K413 VanDerWaalsContact OD2-CE 3.28Å; D411-K413 WeakPolarHBondContact OD2-CE 3.46Å; D411-K413 IonicContact OD2-NZ 2.8Å; D411-K413 PolarHBondContact OD2-NZ 3.27Å; D411-N416 PolarHBondContact O-ND2 2.86Å; D411-N416 PolarHBondContact OD2-ND2 3.05Å
412L92.4Very high88.2Confident1 Ų137.6 Ų37.61%0.00520%0.203CC..  trans-76.8123-179.3-174.975.7000110.1L397 H409 I417 I428 D466 A469 F470L397-L412 HydrophobicContact CD1-CD2 3.89Å; L397-L412 HydrophobicContact CD2-CD1 4.45Å; L397-L412 HydrophobicContact CD2-CD2 4.11Å; L397-L412 HydrophobicContact CG-CD2 4.47Å; H409-L412 PolarHBondContact ND1-N 2.98Å; L412-I417 HydrophobicContact CD1-CD1 4.15Å; L412-I417 HydrophobicContact CD1-CG1 4.13Å; L412-I428 HydrophobicContact CD1-CD1 4.36Å; L412-I428 HydrophobicContact CD1-CG2 3.69Å; L412-D466 WeakPolarHBondContact CD2-O 3.22Å; L412-A469 HydrophobicContact CB-CB 3.85Å; L412-A469 HydrophobicContact CD2-CB 4.24Å; L412-A469 HydrophobicContact CG-CB 4.46Å; L412-A469 WeakPolarHBondContact O-CB 3.45Å; L412-F470 HydrophobicContact CD2-CB 4.16Å
413K92.3Very high87.1Confident29 Ų2941 Ų4113%0.12623%0.225CC..SBendtrans-160.5163.4179.459.9-158.3176.6-156.70111D411 D415 N416 I417 T448 F451 C473D411-K413 PolarHBondContact O-N 2.94Å; D411-K413 IonicContact OD1-NZ 2.71Å; D411-K413 PolarHBondContact OD1-NZ 3.48Å; D411-K413 VanDerWaalsContact OD2-CE 3.28Å; D411-K413 WeakPolarHBondContact OD2-CE 3.46Å; D411-K413 IonicContact OD2-NZ 2.8Å; D411-K413 PolarHBondContact OD2-NZ 3.27Å; K413-D415 HydrophobicContact CG-CB 4.18Å; K413-D415 PolarHBondContact O-N 3.49Å; K413-N416 VanDerWaalsContact CE-OD1 3.26Å; K413-N416 WeakPolarHBondContact CE-OD1 3.36Å; K413-N416 HydrophobicContact CG-CB 4.27Å; K413-N416 PolarHBondContact O-N 2.77Å; K413-I417 WeakPolarHBondContact O-CG1 3.3Å; K413-I417 PolarHBondContact O-N 3.33Å; K413-T448 PolarHBondContact NZ-OG1 3.36Å; K413-F451 HydrophobicContact CB-CD1 3.77Å; K413-F451 HydrophobicContact CB-CE1 3.97Å; K413-F451 HydrophobicContact CB-CG 4.08Å; K413-F451 HydrophobicContact CB-CZ 4.46Å; K413-C473 VanDerWaalsContact CA-SG 3.53Å
414C94.8Very high86.7Confident0 Ų038.1 Ų38.10%022%0.221CC..THydrogen-bonded Turntrans-60.5-14.7179.1-64.70000114.6L371 K372 E476L371-C414 HydrophobicContact CB-CB 4.16Å; L371-C414 WeakPolarHBondContact CB-O 3.28Å; L371-C414 HydrophobicContact CD2-CB 4.1Å; L371-C414 HydrophobicContact CG-CB 4Å; L371-C414 PolarHBondContact N-O 2.87Å; K372-C414 HydrophobicContact CB-CB 3.98Å; K372-C414 WeakPolarHBondContact CB-O 3.48Å; K372-C414 PolarHBondContact N-O 3.16Å; C414-E476 WeakPolarHBondContact CB-OE2 3.34Å; C414-E476 PolarHBondContact SG-OE2 3.15Å
415D91.5Very high87.3Confident57 Ų5732.3 Ų32.331%0.30519%0.193SC..THydrogen-bonded Turntrans-79.5-31.9171.1-125.8-9.4000113T370 K372 K413 I417T370-D415 WeakPolarHBondContact CB-O 3.33Å; T370-D415 WeakPolarHBondContact CG2-O 3.2Å; T370-D415 PolarHBondContact OG1-OD1 3.41Å; K372-D415 HydrophobicContact CD-CB 3.85Å; K372-D415 WeakPolarHBondContact CD-OD1 3.19Å; K372-D415 WeakPolarHBondContact CD-OD2 3.46Å; K372-D415 WeakPolarHBondContact CE-OD2 3.48Å; K372-D415 IonicContact NZ-OD2 3.82Å; K372-D415 PolarHBondContact NZ-OD2 3Å; K413-D415 HydrophobicContact CG-CB 4.18Å; K413-D415 PolarHBondContact O-N 3.49Å; D415-I417 VanDerWaalsContact C-N 3.35Å
416N93.3Very high88Confident9 Ų930 Ų305%0.04818%0.178CC..THydrogen-bonded Turntrans-92.6-1.5-178-61.59.8000111.8D411 K413 F418 G429 D430D411-N416 PolarHBondContact O-ND2 2.86Å; D411-N416 PolarHBondContact OD2-ND2 3.05Å; K413-N416 VanDerWaalsContact CE-OD1 3.26Å; K413-N416 WeakPolarHBondContact CE-OD1 3.36Å; K413-N416 HydrophobicContact CG-CB 4.27Å; K413-N416 PolarHBondContact O-N 2.77Å; N416-F418 WeakPolarHBondContact O-CD2 3.33Å; N416-F418 WeakPolarHBondContact O-CE2 3.26Å; N416-G429 PolarHBondContact O-N 3.39Å; N416-D430 HydrophobicContact CB-CB 4.28Å
417I96Very high88.5Confident0 Ų029.8 Ų29.80%017%0.174CC..EExtended strand (participates in β ladder)trans-99.8108.9173.5-62.1163.7000108.1T370 L371 I393 L412 K413 D415 V426 C473T370-I417 CarbonylContact C-O 3.59Å; T370-I417 WeakPolarHBondContact CA-O 3.32Å; L371-I417 HydrophobicContact CB-CB 4.25Å; L371-I417 HydrophobicContact CB-CG2 4.21Å; L371-I417 HydrophobicContact CD2-CB 4.32Å; L371-I417 HydrophobicContact CD2-CD1 4.28Å; L371-I417 HydrophobicContact CD2-CG2 4.08Å; L371-I417 PolarHBondContact N-O 3.11Å; I393-I417 HydrophobicContact CD1-CD1 3.92Å; I393-I417 HydrophobicContact CD1-CG2 4.23Å; I393-I417 HydrophobicContact CG1-CD1 4.23Å; I393-I417 HydrophobicContact CG1-CG2 4.19Å; I393-I417 HydrophobicContact CG2-CD1 4.48Å; L412-I417 HydrophobicContact CD1-CD1 4.15Å; L412-I417 HydrophobicContact CD1-CG1 4.13Å; K413-I417 WeakPolarHBondContact O-CG1 3.3Å; K413-I417 PolarHBondContact O-N 3.33Å; D415-I417 VanDerWaalsContact C-N 3.35Å; I417-V426 HydrophobicContact CG2-CB 4.02Å; I417-V426 HydrophobicContact CG2-CG1 4.13Å; I417-C473 HydrophobicContact CD1-CB 4.41Å
418F96Very high89.1Confident39 Ų3929.3 Ų29.317%0.17117%0.171CC..EExtended strand (participates in β ladder)trans-93.2142.2-177.1-63-93.4000111.4V341 M366 G369 T370 N416 V426 K427V341-F418 HydrophobicContact CG2-CD2 3.83Å; V341-F418 HydrophobicContact CG2-CE2 4.48Å; V341-F418 HydrophobicContact CG2-CG 4.41Å; M366-F418 HydrophobicContact CB-CB 3.79Å; M366-F418 HydrophobicContact CB-CD1 3.4Å; M366-F418 HydrophobicContact CB-CE1 4.16Å; M366-F418 HydrophobicContact CB-CG 3.74Å; M366-F418 HydrophobicContact CE-CB 3.57Å; M366-F418 HydrophobicContact CG-CB 3.67Å; M366-F418 HydrophobicContact CG-CD1 3.9Å; M366-F418 HydrophobicContact CG-CD2 4.35Å; M366-F418 HydrophobicContact CG-CG 3.71Å; M366-F418 HydrophobicContact SD-CB 4.36Å; G369-F418 WeakPolarHBondContact O-CA 3.36Å; T370-F418 HydrophobicContact CG2-CD1 3.91Å; T370-F418 HydrophobicContact CG2-CE1 3.81Å; T370-F418 HydrophobicContact CG2-CZ 4.47Å; N416-F418 WeakPolarHBondContact O-CD2 3.33Å; N416-F418 WeakPolarHBondContact O-CE2 3.26Å; F418-V426 CarbonylContact O-C 3.57Å; F418-V426 VanDerWaalsContact O-CA 3.29Å; F418-V426 WeakPolarHBondContact O-CA 3.48Å; F418-K427 PolarHBondContact N-O 3.39Å; F418-K427 PolarHBondContact O-N 3Å
419I94.9Very high89.3Confident6 Ų629.4 Ų29.43%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-94.7144.6170.855.9167.6000109.9M366 S368 G369 Y374 W389 V426M366-I419 WeakPolarHBondContact CE-O 3.22Å; S368-I419 WeakPolarHBondContact CB-O 3.28Å; S368-I419 WeakPolarHBondContact O-CD1 3.33Å; S368-I419 WeakPolarHBondContact O-CG1 3.27Å; G369-I419 WeakPolarHBondContact O-CG1 3.34Å; G369-I419 PolarHBondContact O-N 3.37Å; Y374-I419 HydrophobicContact CD2-CD1 3.84Å; W389-I419 HydrophobicContact CH2-CG2 3.92Å; W389-I419 HydrophobicContact CZ2-CG2 3.91Å; W389-I419 HydrophobicContact CZ3-CG2 4.39Å; I419-V426 HydrophobicContact CG2-CG1 3.83Å
420T92.2Very high89.1Confident56 Ų5632 Ų3234%0.34419%0.186SC..SBendtrans-82-24.4169.152.40000112.2M366 S368 S425 K427M366-T420 HydrophobicContact CE-CG2 3.91Å; S368-T420 WeakPolarHBondContact CB-O 3.47Å; S368-T420 PolarHBondContact OG-O 3.26Å; T420-S425 VanDerWaalsContact CG2-OG 3.29Å; T420-S425 WeakPolarHBondContact CG2-OG 3.45Å; T420-S425 PolarHBondContact N-O 3.26Å; T420-S425 PolarHBondContact OG1-N 3.39Å; T420-S425 PolarHBondContact OG1-O 3.17Å; T420-S425 VanDerWaalsContact OG1-O 3.07Å; T420-S425 PolarHBondContact OG1-OG 3.15Å; T420-K427 HydrophobicContact CG2-CD 4.04Å
421G81.1Confident88.7Confident16 Ų1630.2 Ų30.217%0.16518%0.18CC..SBendtrans-176.7173.717500000111.7T423 G424G421-T423 PolarHBondContact O-N 3.41Å; G421-T423 VanDerWaalsContact O-N 3.13Å; G421-G424 PolarHBondContact O-N 2.99Å
422T72.9Confident87.5Confident80 Ų8028.8 Ų28.849%0.49118%0.177SC..THydrogen-bonded Turntrans-63.2-20.7-175.248.80000114.9Y374 F378Y374-T422 HydrophobicContact CE2-CG2 4.38Å; F378-T422 HydrophobicContact CE2-CG2 4.25Å; F378-T422 HydrophobicContact CZ-CG2 4.15Å
423T68.4Low85.8Confident135 Ų13533.6 Ų33.683%0.82820%0.202SC*.THydrogen-bonded Turntrans-122.615.2172.650.40000111.5G421G421-T423 PolarHBondContact O-N 3.41Å; G421-T423 VanDerWaalsContact O-N 3.13Å
424G80.8Confident84.1Confident24 Ų2432.5 Ų32.525%0.24720%0.199CC..SBendtrans-88.9-170.4-171.200000114.4W389 G421W389-G424 PolarHBondContact NE1-O 2.9Å; G421-G424 PolarHBondContact O-N 2.99Å
425S93.2Very high82Confident38 Ų3832.7 Ų32.727%0.26620%0.2SC..  trans-75.9162.9169.256.10000112.8T420T420-S425 VanDerWaalsContact CG2-OG 3.29Å; T420-S425 WeakPolarHBondContact CG2-OG 3.45Å; T420-S425 PolarHBondContact N-O 3.26Å; T420-S425 PolarHBondContact OG1-N 3.39Å; T420-S425 PolarHBondContact OG1-O 3.17Å; T420-S425 VanDerWaalsContact OG1-O 3.07Å; T420-S425 PolarHBondContact OG1-OG 3.15Å
426V96.7Very high79.8Confident1 Ų131 Ų311%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-106.3147.5166.5-750000111.2N339 W389 Q392 I393 I417 F418 I419N339-V426 WeakPolarHBondContact CA-O 3.35Å; N339-V426 WeakPolarHBondContact CB-O 3.33Å; N339-V426 PolarHBondContact ND2-O 2.97Å; W389-V426 HydrophobicContact CB-CG1 4.06Å; W389-V426 HydrophobicContact CB-CG2 4.02Å; W389-V426 HydrophobicContact CD2-CG1 3.83Å; W389-V426 HydrophobicContact CE3-CG1 4.44Å; W389-V426 HydrophobicContact CG-CG1 3.65Å; W389-V426 HydrophobicContact CG-CG2 4.24Å; W389-V426 WeakPolarHBondContact O-CG2 3.42Å; Q392-V426 HydrophobicContact CB-CG2 3.46Å; Q392-V426 VanDerWaalsContact CB-CG2 3.46Å; Q392-V426 HydrophobicContact CG-CG2 4.47Å; Q392-V426 VanDerWaalsContact OE1-N 3.12Å; I393-V426 HydrophobicContact CG1-CG2 4.02Å; I417-V426 HydrophobicContact CG2-CB 4.02Å; I417-V426 HydrophobicContact CG2-CG1 4.13Å; F418-V426 CarbonylContact O-C 3.57Å; F418-V426 VanDerWaalsContact O-CA 3.29Å; F418-V426 WeakPolarHBondContact O-CA 3.48Å; I419-V426 HydrophobicContact CG2-CG1 3.83Å
427K97.4Very high77.5Confident22 Ų2234.9 Ų34.910%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-132.2127.5178.1-80.1168.5162.5-89.50109.9P338 N339 I340 V341 E364 M366 F418 T420P338-K427 WeakPolarHBondContact O-CE 3.15Å; P338-K427 WeakPolarHBondContact O-CG 3.19Å; N339-K427 WeakPolarHBondContact O-CA 3.21Å; I340-K427 PolarHBondContact O-NZ 2.84Å; V341-K427 HydrophobicContact CG2-CB 3.74Å; E364-K427 WeakPolarHBondContact OE1-CE 3.45Å; E364-K427 IonicContact OE1-NZ 2.79Å; E364-K427 PolarHBondContact OE1-NZ 3.17Å; E364-K427 IonicContact OE2-NZ 2.64Å; E364-K427 PolarHBondContact OE2-NZ 3.21Å; M366-K427 HydrophobicContact CE-CB 4.2Å; M366-K427 HydrophobicContact CE-CD 3.81Å; M366-K427 HydrophobicContact SD-CD 3.77Å; F418-K427 PolarHBondContact N-O 3.39Å; F418-K427 PolarHBondContact O-N 3Å; T420-K427 HydrophobicContact CG2-CD 4.04Å
428I96.2Very high75Confident1 Ų140.6 Ų40.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-80.6126.8174.3-48175.2000108.6N339 I340 V341 I393 L397 H409 L412N339-I428 PolarHBondContact O-N 3.15Å; I340-I428 CarbonylContact C-O 3.46Å; I340-I428 WeakPolarHBondContact CA-O 3.33Å; I340-I428 HydrophobicContact CD1-CB 4Å; I340-I428 HydrophobicContact CD1-CD1 4.29Å; I340-I428 HydrophobicContact CD1-CG1 4.44Å; V341-I428 PolarHBondContact N-O 3.26Å; I393-I428 HydrophobicContact CG2-CD1 4.04Å; L397-I428 HydrophobicContact CD2-CD1 3.96Å; L397-I428 HydrophobicContact CG-CD1 4.08Å; H409-I428 WeakPolarHBondContact CD2-CG2 3.31Å; H409-I428 WeakPolarHBondContact NE2-CG2 3.46Å; L412-I428 HydrophobicContact CD1-CD1 4.36Å; L412-I428 HydrophobicContact CD1-CG2 3.69Å
429G91.5Very high72.6Confident2 Ų245.3 Ų45.32%0.02126%0.258CS..  trans-123.1-165.8-178.600000113.1H409 N416 L431H409-G429 PolarHBondContact NE2-O 3.44Å; N416-G429 PolarHBondContact O-N 3.39Å; G429-L431 PolarHBondContact O-N 3.45Å; G429-L431 VanDerWaalsContact O-N 3.11Å
430D82.9Confident70Confident56 Ų5645.8 Ų45.830%0.29926%0.262SS..  trans58.718.9179.8-76.1-34.2000116.9K293 N416 G432K293-D430 IonicContact NZ-OD1 2.64Å; K293-D430 PolarHBondContact NZ-OD1 3.31Å; K293-D430 IonicContact NZ-OD2 2.81Å; K293-D430 PolarHBondContact NZ-OD2 3.43Å; N416-D430 HydrophobicContact CB-CB 4.28Å; D430-G432 PolarHBondContact O-N 3.11Å
431L75.6Confident67.2Low13 Ų1350 Ų507%0.06828%0.276CS..G310 helixtrans-56.5-7.6170.6-63.7176.7000115.1L332 L335 I340 L400 H409 G429 L433 A434L332-L431 HydrophobicContact CD1-CB 4.46Å; L332-L431 WeakPolarHBondContact CD1-O 3.44Å; L332-L431 HydrophobicContact CD2-CB 3.89Å; L335-L431 HydrophobicContact CD1-CD1 4.02Å; I340-L431 HydrophobicContact CG2-CD1 3.66Å; L400-L431 HydrophobicContact CD1-CD2 3.86Å; L400-L431 HydrophobicContact CD2-CD1 3.96Å; L400-L431 HydrophobicContact CD2-CD2 4.46Å; H409-L431 HydrophobicContact CB-CD2 4.47Å; H409-L431 VanDerWaalsContact CD2-CD2 3.41Å; H409-L431 WeakPolarHBondContact CD2-CD2 3.5Å; G429-L431 PolarHBondContact O-N 3.45Å; G429-L431 VanDerWaalsContact O-N 3.11Å; L431-L433 PolarHBondContact O-N 3.2Å; L431-A434 HydrophobicContact CB-CB 4.46Å; L431-A434 HydrophobicContact CD2-CB 4.3Å; L431-A434 VanDerWaalsContact O-CB 3.26Å; L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 2.64Å
432G57.2Low65.2Low19 Ų1950.6 Ų50.620%0.19628%0.279CS..G310 helixtrans-63.4-1.4176.500000115.2F325 D430F325-G432 VanDerWaalsContact CE2-O 3.26Å; F325-G432 WeakPolarHBondContact CE2-O 3.37Å; D430-G432 PolarHBondContact O-N 3.11Å
433L56.7Low63.6Low102 Ų10255.1 Ų55.153%0.53429%0.292SS..G310 helixtrans-129.230.4167.7-63.4174.4000111.8F325 R410 L431F325-L433 HydrophobicContact CE2-CD2 4.47Å; R410-L433 PolarHBondContact NE-O 3.26Å; R410-L433 PolarHBondContact NH2-O 3.34Å; L431-L433 PolarHBondContact O-N 3.2Å
434A56.6Low62.3Low6 Ų651.3 Ų51.35%0.0527%0.271CS..PPolyproline II helixtrans-88.6122.5172.200000110.6V407 I408 L431V407-A434 HydrophobicContact CG1-CB 4.1Å; I408-A434 WeakPolarHBondContact O-CB 3.19Å; L431-A434 HydrophobicContact CB-CB 4.46Å; L431-A434 HydrophobicContact CD2-CB 4.3Å; L431-A434 VanDerWaalsContact O-CB 3.26Å; L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 2.64Å
435T50.8Low60.3Low5 Ų555.2 Ų55.23%0.03129%0.289CS..PPolyproline II helixtrans-88.5152.7178.149.20000113.1E328 R410 A442 Y461E328-T435 VanDerWaalsContact OE1-CA 3.26Å; E328-T435 WeakPolarHBondContact OE1-CA 3.33Å; R410-T435 WeakPolarHBondContact CD-OG1 3.36Å; R410-T435 VanDerWaalsContact CZ-CG2 3.45Å; R410-T435 PolarHBondContact NE-OG1 3.42Å; R410-T435 PolarHBondContact NH1-OG1 3.17Å; T435-A442 HydrophobicContact CG2-CB 4.1Å; T435-Y461 PolarHBondContact OG1-OH 3.1Å
436L46.3Very low58.2Low20 Ų2059.2 Ų59.211%0.10531%0.306CS..BIsolated β-bridgetrans-67.9133.9162.8-72.4-169.2000113E328 M331 P405 N438E328-L436 HydrophobicContact CG-CG 4.2Å; E328-L436 PolarHBondContact OE1-N 2.63Å; E328-L436 VanDerWaalsContact OE1-N 3.09Å; M331-L436 HydrophobicContact CE-CD1 3.48Å; M331-L436 VanDerWaalsContact CE-CD1 3.48Å; M331-L436 HydrophobicContact CE-CD2 3.58Å; M331-L436 HydrophobicContact CE-CG 3.57Å; M331-L436 HydrophobicContact SD-CD1 3.94Å; M331-L436 HydrophobicContact SD-CD2 3.96Å; M331-L436 HydrophobicContact SD-CG 4.35Å; P405-L436 HydrophobicContact CB-CD2 4.37Å; P405-L436 HydrophobicContact CG-CD1 3.79Å; P405-L436 HydrophobicContact CG-CD2 3.54Å; P405-L436 HydrophobicContact CG-CG 4.22Å; L436-N438 PolarHBondContact O-N 3.12Å
437K45.3Very low56.1Low92 Ų9260.9 Ų60.940%0.432%0.324SS..THydrogen-bonded Turntrans-53.3-23.5175.5-178.5167.9173.6169.90114.9P406 I408 E463P406-K437 HydrophobicContact CB-CD 4.38Å; P406-K437 HydrophobicContact CG-CD 4.41Å; I408-K437 HydrophobicContact CD1-CB 3.94Å; I408-K437 HydrophobicContact CD1-CD 4.26Å; I408-K437 HydrophobicContact CD1-CG 4.14Å; K437-E463 VanDerWaalsContact CD-OE1 3.27Å; K437-E463 WeakPolarHBondContact CD-OE1 3.38Å; K437-E463 IonicContact NZ-OE1 3.7Å; K437-E463 PolarHBondContact NZ-OE1 3.02Å; K437-E463 IonicContact NZ-OE2 2.7Å; K437-E463 PolarHBondContact NZ-OE2 2.94Å
438N43.1Very low53.9Low119 Ų11961.4 Ų61.464%0.63633%0.329SS*.THydrogen-bonded Turntrans-109.9-3.2-166.9-67.956.8000116.1L436L436-N438 PolarHBondContact O-N 3.12Å
439K44Very low52.1Low138 Ų13862.2 Ų62.260%0.634%0.335SS*.THydrogen-bonded Turntrans-142.8-3.8-169.9-70.3-170.4178.5178.70117.7R324R324-K439 VanDerWaalsContact CZ-O 3.28Å; R324-K439 PolarHBondContact NE-O 3.18Å; R324-K439 PolarHBondContact NH2-O 3.16Å
440S40.3Very low50.8Low16 Ų1663.6 Ų63.611%0.11234%0.341CS..  trans-125.168.9-160.3-63.10000115.4E328 A442E328-S440 PolarHBondContact OE1-OG 3.1Å; S440-A442 VanDerWaalsContact C-N 3.34Å; S440-A442 WeakPolarHBondContact O-CB 3.08Å; S440-A442 PolarHBondContact O-N 3.22Å
441F34.2Very low49.9Very low145 Ų14561.3 Ų61.364%0.63633%0.328SS*.  trans-55.296.7154-100.7-83.8000108.7R324 E459R324-F441 PolarHBondContact NH1-O 3Å; F441-E459 HydrophobicContact CD1-CB 4.39Å; F441-E459 VanDerWaalsContact CD1-OE2 3.31Å; F441-E459 WeakPolarHBondContact CD1-OE2 3.36Å; F441-E459 HydrophobicContact CE1-CB 4.23Å
442A38.9Very low49.6Very low28 Ų2861 Ų6123%0.23133%0.326CS..  trans-12292.6-164.900000111T435 S440 S444T435-A442 HydrophobicContact CG2-CB 4.1Å; S440-A442 VanDerWaalsContact C-N 3.34Å; S440-A442 WeakPolarHBondContact O-CB 3.08Å; S440-A442 PolarHBondContact O-N 3.22Å; A442-S444 PolarHBondContact O-N 3.38Å
443K40.5Very low49.9Very low176 Ų17660.1 Ų60.177%0.76532%0.317SS*.  trans-75.934.4-175-154.3158.3-168.6142.60113.4
444S39.4Very low50.3Low54 Ų5455.9 Ų55.938%0.37830%0.295SS..  trans-109.691.6-160.661.60000112.1A442 I446A442-S444 PolarHBondContact O-N 3.38Å; S444-I446 PolarHBondContact O-N 3.44Å
445V39.2Very low50.9Low106 Ų10656.1 Ų56.164%0.64230%0.296SS*.  trans37.277.6165.9-165.20000115.3F292F292-V445 HydrophobicContact CE1-CG2 4.46Å; F292-V445 HydrophobicContact CE2-CB 4.19Å; F292-V445 HydrophobicContact CE2-CG1 3.95Å; F292-V445 HydrophobicContact CZ-CB 3.94Å; F292-V445 HydrophobicContact CZ-CG1 3.84Å; F292-V445 HydrophobicContact CZ-CG2 3.82Å
446I50.5Low51.1Low122 Ų12257.1 Ų57.163%0.62630%0.3SS*.  trans0.8126151-66.4167.2000115.1S444 M452S444-I446 PolarHBondContact O-N 3.44Å; I446-M452 HydrophobicContact CG2-CE 3.96Å; I446-M452 HydrophobicContact CG2-SD 3.72Å
447G50.8Low51.5Low36 Ų3659.2 Ų59.237%0.37131%0.307SS..  trans-71.9-160.5-179.900000114.6P449G447-P449 VanDerWaalsContact O-CD 3.29Å; G447-P449 WeakPolarHBondContact O-CD 3.42Å
448T52.3Low52.1Low33 Ų3361.2 Ų61.220%0.20232%0.318CS..  trans-76.6106.6-180-61.50000109.8K413 E450 F451 M452 Y482K413-T448 PolarHBondContact NZ-OG1 3.36Å; T448-E450 WeakPolarHBondContact CG2-OE2 3.44Å; T448-E450 PolarHBondContact O-N 2.97Å; T448-E450 VanDerWaalsContact O-N 3.1Å; T448-F451 HydrophobicContact CG2-CD2 3.99Å; T448-F451 PolarHBondContact O-N 3.48Å; T448-M452 PolarHBondContact O-N 2.85Å; T448-Y482 WeakPolarHBondContact CG2-OH 3.22Å
449P58.7Low52.7Low19 Ų1959.4 Ų59.412%0.12331%0.306CS..THydrogen-bonded Turntrans-65.3-21.1-16125.9-35.6000114.5G447 F451 Y457 P490G447-P449 VanDerWaalsContact O-CD 3.29Å; G447-P449 WeakPolarHBondContact O-CD 3.42Å; P449-F451 VanDerWaalsContact C-N 3.29Å; P449-Y457 VanDerWaalsContact CB-OH 3.3Å; P449-Y457 WeakPolarHBondContact CB-OH 3.43Å; P449-P490 HydrophobicContact CB-CB 4.29Å; P449-P490 HydrophobicContact CG-CB 3.86Å; P449-P490 HydrophobicContact CG-CG 3.98Å
450E63.1Low53.3Low31 Ų3158.9 Ų58.915%0.14531%0.307CS..THydrogen-bonded Turntrans-69-25.8175-55.378.1-174.800112.7T448 Y482 Y484 I493T448-E450 WeakPolarHBondContact CG2-OE2 3.44Å; T448-E450 PolarHBondContact O-N 2.97Å; T448-E450 VanDerWaalsContact O-N 3.1Å; E450-Y482 HydrophobicContact CB-CE1 4.29Å; E450-Y482 HydrophobicContact CG-CE1 3.85Å; E450-Y484 HydrophobicContact CB-CD2 4.43Å; E450-I493 HydrophobicContact CG-CD1 3.67Å; E450-I493 HydrophobicContact CG-CG1 4.47Å; E450-I493 HydrophobicContact CG-CG2 4.46Å; E450-I493 VanDerWaalsContact OE1-CD1 3.29Å; E450-I493 WeakPolarHBondContact OE1-CD1 3.45Å
451F64.8Low54.6Low7 Ų760 Ų603%0.03131%0.309CS..THydrogen-bonded Turntrans-104.1-8.2-178.9-72-105000112.7K413 T448 P449 Y468 M472 E476 Y482 P483K413-F451 HydrophobicContact CB-CD1 3.77Å; K413-F451 HydrophobicContact CB-CE1 3.97Å; K413-F451 HydrophobicContact CB-CG 4.08Å; K413-F451 HydrophobicContact CB-CZ 4.46Å; T448-F451 HydrophobicContact CG2-CD2 3.99Å; T448-F451 PolarHBondContact O-N 3.48Å; P449-F451 VanDerWaalsContact C-N 3.29Å; F451-Y468 WeakPolarHBondContact O-CD1 3.16Å; F451-M472 HydrophobicContact CD1-CB 3.78Å; F451-M472 HydrophobicContact CE1-CB 3.89Å; F451-M472 HydrophobicContact CG-CB 4.42Å; F451-E476 WeakPolarHBondContact CZ-OE2 3.31Å; F451-Y482 HydrophobicContact CE2-CD2 4.28Å; F451-Y482 AromaticContact CE2-CE2 3.49Å; F451-Y482 HydrophobicContact CE2-CE2 3.49Å; F451-Y482 VanDerWaalsContact CE2-CE2 3.49Å; F451-Y482 AromaticContact CE2-CZ 3.67Å; F451-Y482 HydrophobicContact CZ-CE2 4.01Å; F451-P483 HydrophobicContact CE2-CG 4.47Å; F451-P483 HydrophobicContact CZ-CG 4.15Å
452M70Confident56.9Low7 Ų755 Ų553%0.03429%0.289CS..  trans-78.2131.3177.9-71.6173.463.100111.2I446 T448 M456 Y457 Y468I446-M452 HydrophobicContact CG2-CE 3.96Å; I446-M452 HydrophobicContact CG2-SD 3.72Å; T448-M452 PolarHBondContact O-N 2.85Å; M452-M456 HydrophobicContact CB-CB 4.21Å; M452-M456 HydrophobicContact CB-CG 4.31Å; M452-M456 HydrophobicContact CE-CB 3.92Å; M452-M456 HydrophobicContact CE-CG 3.52Å; M452-M456 HydrophobicContact CG-CE 4.33Å; M452-M456 HydrophobicContact CG-CG 4.12Å; M452-Y457 HydrophobicContact CB-CE2 3.9Å; M452-Y457 HydrophobicContact CE-CD1 4.05Å; M452-Y457 HydrophobicContact CE-CD2 4.15Å; M452-Y457 HydrophobicContact CE-CE1 3.72Å; M452-Y457 HydrophobicContact CE-CE2 3.83Å; M452-Y457 HydrophobicContact CE-CG 4.26Å; M452-Y457 HydrophobicContact SD-CE1 4.48Å; M452-Y468 VanDerWaalsContact C-CE1 3.43Å; M452-Y468 WeakPolarHBondContact O-CE1 3.39Å
453A63.2Low59.2Low0 Ų055.4 Ų55.40%029%0.286CS..  trans-67.5155.2168.200000111E455 M456 V465 Y468A453-E455 VanDerWaalsContact C-N 3.33Å; A453-E455 VanDerWaalsContact CB-OE1 3.27Å; A453-E455 WeakPolarHBondContact CB-OE1 3.33Å; A453-E455 WeakPolarHBondContact CB-OE2 3.32Å; A453-E455 PolarHBondContact O-N 3.37Å; A453-M456 WeakPolarHBondContact O-CB 3.17Å; A453-M456 PolarHBondContact O-N 3.48Å; A453-M456 VanDerWaalsContact O-N 3.07Å; A453-V465 HydrophobicContact CB-CB 4.35Å; A453-V465 HydrophobicContact CB-CG1 4.08Å; A453-Y468 HydrophobicContact CB-CD1 3.86Å; A453-Y468 HydrophobicContact CB-CD2 4.21Å; A453-Y468 HydrophobicContact CB-CE1 4.45Å; A453-Y468 HydrophobicContact CB-CG 3.72Å
454P65Low61.6Low13 Ų1347.8 Ų47.88%0.08426%0.255CS..G310 helixtrans-57.3-40-178.119.8-30.9000113.7M456 Y457 V497 I498 V526P454-M456 VanDerWaalsContact C-N 3.26Å; P454-M456 PolarHBondContact O-N 2.76Å; P454-Y457 WeakPolarHBondContact O-CD2 3.37Å; P454-Y457 PolarHBondContact O-N 2.83Å; P454-V497 HydrophobicContact CB-CG1 4.06Å; P454-V497 HydrophobicContact CG-CG1 4.29Å; P454-I498 HydrophobicContact CB-CG1 4.03Å; P454-V526 HydrophobicContact CG-CG1 4.13Å; P454-V526 WeakPolarHBondContact CG-O 3.42Å
455E68.5Low64.1Low12 Ų1245.2 Ų45.26%0.05624%0.237CC..G310 helixtrans-73.7-12.417975.4-71.9175.700113.9A453 Y457 E458 V465 R531A453-E455 VanDerWaalsContact C-N 3.33Å; A453-E455 VanDerWaalsContact CB-OE1 3.27Å; A453-E455 WeakPolarHBondContact CB-OE1 3.33Å; A453-E455 WeakPolarHBondContact CB-OE2 3.32Å; A453-E455 PolarHBondContact O-N 3.37Å; E455-Y457 PolarHBondContact O-N 3.46Å; E455-Y457 VanDerWaalsContact O-N 3.12Å; E455-E458 PolarHBondContact O-N 3.02Å; E455-V465 HydrophobicContact CG-CG1 4.42Å; E455-V465 VanDerWaalsContact OE1-CG1 3.29Å; E455-V465 WeakPolarHBondContact OE1-CG1 3.49Å; E455-R531 IonicContact OE1-CZ 2.74Å; E455-R531 IonicContact OE1-NH1 2.66Å; E455-R531 PolarHBondContact OE1-NH1 2.95Å; E455-R531 IonicContact OE1-NH2 3.99Å; E455-R531 PolarHBondContact OE1-NH2 2.88Å; E455-R531 IonicContact OE2-CZ 2.75Å; E455-R531 IonicContact OE2-NH1 2.78Å; E455-R531 IonicContact OE2-NH2 3.72Å; E455-R531 PolarHBondContact OE2-NH2 3.17Å
456M55.7Low66.6Low25 Ų2540.1 Ų40.112%0.12321%0.206CC..G310 helixtrans-62.4-18.5172.3-164.990.683.600111.7R410 M452 A453 P454 Y461 V465R410-M456 HydrophobicContact CB-CE 4.43Å; R410-M456 HydrophobicContact CB-SD 4.33Å; R410-M456 WeakPolarHBondContact O-CE 3.34Å; M452-M456 HydrophobicContact CB-CB 4.21Å; M452-M456 HydrophobicContact CB-CG 4.31Å; M452-M456 HydrophobicContact CE-CB 3.92Å; M452-M456 HydrophobicContact CE-CG 3.52Å; M452-M456 HydrophobicContact CG-CE 4.33Å; M452-M456 HydrophobicContact CG-CG 4.12Å; A453-M456 WeakPolarHBondContact O-CB 3.17Å; A453-M456 PolarHBondContact O-N 3.48Å; A453-M456 VanDerWaalsContact O-N 3.07Å; P454-M456 VanDerWaalsContact C-N 3.26Å; P454-M456 PolarHBondContact O-N 2.76Å; M456-Y461 HydrophobicContact SD-CD1 4.22Å; M456-Y461 HydrophobicContact SD-CG 4.3Å; M456-V465 HydrophobicContact CE-CB 3.6Å; M456-V465 HydrophobicContact CE-CG1 4.03Å; M456-V465 HydrophobicContact CE-CG2 3.8Å; M456-V465 HydrophobicContact SD-CB 4.1Å; M456-V465 HydrophobicContact SD-CG1 3.95Å; M456-V465 HydrophobicContact SD-CG2 4.09Å
457Y54Low68.8Low65 Ų6534.6 Ų34.626%0.25518%0.178SC..G310 helixtrans-89.4-8.3175.7-61.5-93.3000113.5P449 M452 P454 E455 Y494P449-Y457 VanDerWaalsContact CB-OH 3.3Å; P449-Y457 WeakPolarHBondContact CB-OH 3.43Å; M452-Y457 HydrophobicContact CB-CE2 3.9Å; M452-Y457 HydrophobicContact CE-CD1 4.05Å; M452-Y457 HydrophobicContact CE-CD2 4.15Å; M452-Y457 HydrophobicContact CE-CE1 3.72Å; M452-Y457 HydrophobicContact CE-CE2 3.83Å; M452-Y457 HydrophobicContact CE-CG 4.26Å; M452-Y457 HydrophobicContact SD-CE1 4.48Å; P454-Y457 WeakPolarHBondContact O-CD2 3.37Å; P454-Y457 PolarHBondContact O-N 2.83Å; E455-Y457 PolarHBondContact O-N 3.46Å; E455-Y457 VanDerWaalsContact O-N 3.12Å; Y457-Y494 AromaticContact CD1-CD2 3.84Å; Y457-Y494 HydrophobicContact CD1-CD2 3.84Å; Y457-Y494 AromaticContact CD1-CE2 3.7Å; Y457-Y494 HydrophobicContact CD1-CE2 3.7Å; Y457-Y494 AromaticContact CD2-CD2 3.91Å; Y457-Y494 HydrophobicContact CD2-CD2 3.91Å; Y457-Y494 AromaticContact CD2-CE2 3.85Å; Y457-Y494 HydrophobicContact CD2-CE2 3.85Å; Y457-Y494 AromaticContact CE1-CD2 3.75Å; Y457-Y494 HydrophobicContact CE1-CD2 3.75Å; Y457-Y494 HydrophobicContact CE1-CE2 4.12Å; Y457-Y494 AromaticContact CE2-CD2 3.84Å; Y457-Y494 HydrophobicContact CE2-CD2 3.84Å; Y457-Y494 HydrophobicContact CE2-CE2 4.26Å; Y457-Y494 AromaticContact CG-CD2 3.92Å; Y457-Y494 HydrophobicContact CG-CD2 3.92Å; Y457-Y494 AromaticContact CG-CE2 3.55Å; Y457-Y494 HydrophobicContact CG-CE2 3.55Å; Y457-Y494 AromaticContact CZ-CD2 3.74Å
458E57.2Low70.9Confident134 Ų13433 Ų3363%0.62616%0.161SC*.SBendtrans-97.47.7-178.4-59.2-176.4162.900112.9E455 M460E455-E458 PolarHBondContact O-N 3.02Å; E458-M460 PolarHBondContact O-N 3.44Å
459E55.6Low73Confident80 Ų8031.5 Ų31.537%0.37415%0.151SC..SBendtrans58-5.7-174.6-58.6-170.7169.200115.6F441F441-E459 HydrophobicContact CD1-CB 4.39Å; F441-E459 VanDerWaalsContact CD1-OE2 3.31Å; F441-E459 WeakPolarHBondContact CD1-OE2 3.36Å; F441-E459 HydrophobicContact CE1-CB 4.23Å
460M57.8Low74.8Confident127 Ų12730.6 Ų30.663%0.62615%0.146SC*.  trans-108.960.9-178.5-64.3-168.1-66.400114.2E458 R528E458-M460 PolarHBondContact O-N 3.44Å; M460-R528 PolarHBondContact O-NH1 3.35Å
461Y67Low76.4Confident39 Ų3929.1 Ų29.115%0.15314%0.139CC..  trans-91.4158.5178.454.1-97.9000114.2I408 R410 T435 M456 V465I408-Y461 HydrophobicContact CD1-CD2 4.13Å; I408-Y461 HydrophobicContact CD1-CE2 4.34Å; I408-Y461 HydrophobicContact CG2-CD2 4.46Å; R410-Y461 VanDerWaalsContact CD-CE2 3.45Å; R410-Y461 VanDerWaalsContact CD-CZ 3.44Å; R410-Y461 VanDerWaalsContact CD-OH 3.32Å; R410-Y461 WeakPolarHBondContact CD-OH 3.24Å; R410-Y461 HydrophobicContact CG-CE2 4.07Å; R410-Y461 PolarHBondContact NH1-OH 2.77Å; T435-Y461 PolarHBondContact OG1-OH 3.1Å; M456-Y461 HydrophobicContact SD-CD1 4.22Å; M456-Y461 HydrophobicContact SD-CG 4.3Å; Y461-V465 HydrophobicContact CG-CG1 4.47Å
462D82Confident77.9Confident40 Ų4028.8 Ų28.821%0.21414%0.137CC..  trans-128.5-162.7175.368.74.9000111.4S464 V465D462-S464 PolarHBondContact O-N 2.92Å; D462-S464 VanDerWaalsContact O-N 3.15Å; D462-S464 WeakPolarHBondContact OD1-CB 3.02Å; D462-S464 PolarHBondContact OD1-N 3.44Å; D462-S464 PolarHBondContact OD1-OG 3.47Å; D462-V465 WeakPolarHBondContact O-CG2 3.3Å
463E88.6Confident79.2Confident38 Ų3828.5 Ų28.518%0.17814%0.136CC..THydrogen-bonded Turntrans-62.6-15.4179-62.384.7171.700113.8H401 P406 I408 K437 V465 D466H401-E463 HydrophobicContact CB-CG 3.98Å; H401-E463 PolarHBondContact CE1-O 3.24Å; P406-E463 WeakPolarHBondContact CB-OE1 3.41Å; I408-E463 HydrophobicContact CG1-CG 4.37Å; K437-E463 VanDerWaalsContact CD-OE1 3.27Å; K437-E463 WeakPolarHBondContact CD-OE1 3.38Å; K437-E463 IonicContact NZ-OE1 3.7Å; K437-E463 PolarHBondContact NZ-OE1 3.02Å; K437-E463 IonicContact NZ-OE2 2.7Å; K437-E463 PolarHBondContact NZ-OE2 2.94Å; E463-V465 VanDerWaalsContact C-N 3.33Å; E463-V465 PolarHBondContact O-N 2.92Å; E463-D466 PolarHBondContact O-N 2.89Å
464S91.2Very high80.8Confident15 Ų1528.5 Ų28.511%0.10514%0.136CC..Hα-helixtrans-75.9-15-176.775.70000114.4D462 D466 V467 Y468 R528 R531D462-S464 PolarHBondContact O-N 2.92Å; D462-S464 VanDerWaalsContact O-N 3.15Å; D462-S464 WeakPolarHBondContact OD1-CB 3.02Å; D462-S464 PolarHBondContact OD1-N 3.44Å; D462-S464 PolarHBondContact OD1-OG 3.47Å; S464-D466 VanDerWaalsContact C-N 3.29Å; S464-V467 WeakPolarHBondContact O-CB 3.24Å; S464-V467 PolarHBondContact O-N 3.33Å; S464-Y468 PolarHBondContact O-N 3.12Å; S464-R528 WeakPolarHBondContact OG-CB 3.44Å; S464-R531 PolarHBondContact O-NH1 2.98Å; S464-R531 PolarHBondContact OG-NH1 3.32Å
465V90.1Very high82.3Confident0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-66.6-35.8172.3-59.30000111.2I408 A453 E455 M456 Y461 D462 E463 V467 Y468 A469I408-V465 HydrophobicContact CG2-CG2 3.67Å; A453-V465 HydrophobicContact CB-CB 4.35Å; A453-V465 HydrophobicContact CB-CG1 4.08Å; E455-V465 HydrophobicContact CG-CG1 4.42Å; E455-V465 VanDerWaalsContact OE1-CG1 3.29Å; E455-V465 WeakPolarHBondContact OE1-CG1 3.49Å; M456-V465 HydrophobicContact CE-CB 3.6Å; M456-V465 HydrophobicContact CE-CG1 4.03Å; M456-V465 HydrophobicContact CE-CG2 3.8Å; M456-V465 HydrophobicContact SD-CB 4.1Å; M456-V465 HydrophobicContact SD-CG1 3.95Å; M456-V465 HydrophobicContact SD-CG2 4.09Å; Y461-V465 HydrophobicContact CG-CG1 4.47Å; D462-V465 WeakPolarHBondContact O-CG2 3.3Å; E463-V465 VanDerWaalsContact C-N 3.33Å; E463-V465 PolarHBondContact O-N 2.92Å; V465-V467 VanDerWaalsContact C-N 3.27Å; V465-V467 PolarHBondContact O-N 3.39Å; V465-Y468 PolarHBondContact O-N 3.48Å; V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 3.38Å
466D93.5Very high83.5Confident0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-71.4-26.4177-63.1-21000111.2L397 H401 H409 R410 L412 E463 S464 F470L397-D466 HydrophobicContact CD1-CB 4.2Å; L397-D466 HydrophobicContact CD2-CB 3.97Å; H401-D466 IonicContact CD2-OD2 3.25Å; H401-D466 IonicContact CE1-OD2 2.72Å; H401-D466 IonicContact NE2-OD2 3.86Å; H401-D466 PolarHBondContact NE2-OD2 2.97Å; H409-D466 WeakPolarHBondContact CB-OD1 3.2Å; H409-D466 PolarHBondContact N-OD1 2.97Å; H409-D466 PolarHBondContact N-OD2 3.26Å; R410-D466 PolarHBondContact N-OD1 3.48Å; L412-D466 WeakPolarHBondContact CD2-O 3.22Å; E463-D466 PolarHBondContact O-N 2.89Å; S464-D466 VanDerWaalsContact C-N 3.29Å; D466-F470 VanDerWaalsContact O-CB 3.22Å; D466-F470 WeakPolarHBondContact O-CB 3.21Å; D466-F470 PolarHBondContact O-N 3.25Å
467V95.7Very high85.4Confident5 Ų526.9 Ų26.93%0.0313%0.127CC..Hα-helixtrans-69.3-48.2171.4170.60000111S464 V465 A469 F470 G471 C523 R531 S532 V534 L537S464-V467 WeakPolarHBondContact O-CB 3.24Å; S464-V467 PolarHBondContact O-N 3.33Å; V465-V467 VanDerWaalsContact C-N 3.27Å; V465-V467 PolarHBondContact O-N 3.39Å; V467-A469 VanDerWaalsContact C-N 3.34Å; V467-A469 PolarHBondContact O-N 3.14Å; V467-F470 WeakPolarHBondContact O-CB 3.29Å; V467-F470 PolarHBondContact O-N 2.95Å; V467-G471 PolarHBondContact O-N 3.03Å; V467-C523 HydrophobicContact CG1-CB 4.2Å; V467-R531 HydrophobicContact CG1-CB 4.23Å; V467-S532 WeakPolarHBondContact CG1-O 3.4Å; V467-V534 HydrophobicContact CG2-CG2 3.71Å; V467-L537 HydrophobicContact CG1-CD1 4.24Å
468Y95.4Very high87.3Confident4 Ų425.2 Ų25.22%0.01612%0.123CC..Hα-helixtrans-59-47.3175.8178-84000110.9F451 M452 A453 S464 V465 F470 G471 M472 V497 C523 I524F451-Y468 WeakPolarHBondContact O-CD1 3.16Å; M452-Y468 VanDerWaalsContact C-CE1 3.43Å; M452-Y468 WeakPolarHBondContact O-CE1 3.39Å; A453-Y468 HydrophobicContact CB-CD1 3.86Å; A453-Y468 HydrophobicContact CB-CD2 4.21Å; A453-Y468 HydrophobicContact CB-CE1 4.45Å; A453-Y468 HydrophobicContact CB-CG 3.72Å; S464-Y468 PolarHBondContact O-N 3.12Å; V465-Y468 PolarHBondContact O-N 3.48Å; Y468-F470 VanDerWaalsContact C-N 3.34Å; Y468-F470 PolarHBondContact O-N 3.16Å; Y468-G471 WeakPolarHBondContact O-CA 3.45Å; Y468-G471 PolarHBondContact O-N 3.26Å; Y468-G471 VanDerWaalsContact O-N 3.1Å; Y468-M472 HydrophobicContact CD1-CG 4.38Å; Y468-M472 HydrophobicContact CE1-CE 3.92Å; Y468-M472 HydrophobicContact CE1-CG 4.04Å; Y468-M472 HydrophobicContact CE2-CE 4.12Å; Y468-M472 PolarHBondContact O-N 3.37Å; Y468-M472 VanDerWaalsContact OH-CE 3.28Å; Y468-M472 WeakPolarHBondContact OH-CE 3.1Å; Y468-V497 WeakPolarHBondContact OH-CG1 3.44Å; Y468-C523 WeakPolarHBondContact CA-O 3.14Å; Y468-I524 HydrophobicContact CD2-CB 4.19Å; Y468-I524 HydrophobicContact CD2-CG2 4.5Å; Y468-I524 HydrophobicContact CE2-CB 4.09Å
469A95Very high89Confident1 Ų120.2 Ų20.21%0.00810%0.102CC..Hα-helixtrans-63.9-35.8176.900000112.8L412 V465 V467 M472 C473L412-A469 HydrophobicContact CB-CB 3.85Å; L412-A469 HydrophobicContact CD2-CB 4.24Å; L412-A469 HydrophobicContact CG-CB 4.46Å; L412-A469 WeakPolarHBondContact O-CB 3.45Å; V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 3.38Å; V467-A469 VanDerWaalsContact C-N 3.34Å; V467-A469 PolarHBondContact O-N 3.14Å; A469-M472 PolarHBondContact O-N 3.44Å; A469-C473 PolarHBondContact O-N 3.22Å; A469-C473 PolarHBondContact O-SG 2.81Å
470F97.5Very high90.7Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-62.7-42.1170.1166.8-97.2000111.8C390 I393 L394 L397 L412 D466 V467 Y468 M472 C473 L474 L537 F543C390-F470 HydrophobicContact CB-CE2 4.06Å; C390-F470 HydrophobicContact CB-CZ 4.07Å; I393-F470 HydrophobicContact CB-CD2 4.32Å; I393-F470 HydrophobicContact CB-CE2 4.36Å; I393-F470 HydrophobicContact CG2-CD2 3.79Å; I393-F470 HydrophobicContact CG2-CE2 4.32Å; L394-F470 HydrophobicContact CD1-CE1 4.2Å; L394-F470 HydrophobicContact CD1-CE2 4.26Å; L394-F470 HydrophobicContact CD1-CZ 3.72Å; L394-F470 HydrophobicContact CD2-CD1 3.95Å; L394-F470 HydrophobicContact CD2-CD2 4.16Å; L394-F470 HydrophobicContact CD2-CE1 3.79Å; L394-F470 HydrophobicContact CD2-CE2 4Å; L394-F470 HydrophobicContact CD2-CG 4.14Å; L394-F470 HydrophobicContact CD2-CZ 3.81Å; L394-F470 HydrophobicContact CG-CD2 4.31Å; L394-F470 HydrophobicContact CG-CE1 4.15Å; L394-F470 HydrophobicContact CG-CE2 3.74Å; L394-F470 HydrophobicContact CG-CZ 3.65Å; L397-F470 HydrophobicContact CD1-CB 4.2Å; L412-F470 HydrophobicContact CD2-CB 4.16Å; D466-F470 VanDerWaalsContact O-CB 3.22Å; D466-F470 WeakPolarHBondContact O-CB 3.21Å; D466-F470 PolarHBondContact O-N 3.25Å; V467-F470 WeakPolarHBondContact O-CB 3.29Å; V467-F470 PolarHBondContact O-N 2.95Å; Y468-F470 VanDerWaalsContact C-N 3.34Å; Y468-F470 PolarHBondContact O-N 3.16Å; F470-M472 VanDerWaalsContact C-N 3.33Å; F470-M472 PolarHBondContact O-N 2.73Å; F470-C473 WeakPolarHBondContact O-CB 3.49Å; F470-C473 PolarHBondContact O-N 2.84Å; F470-L474 HydrophobicContact CE1-CD2 4.43Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.23Å; F470-L537 HydrophobicContact CD1-CD1 4.15Å; F470-L537 HydrophobicContact CE1-CD1 4.17Å; F470-F543 HydrophobicContact CE1-CZ 4.41Å; F470-F543 AromaticContact CZ-CZ 3.95Å; F470-F543 HydrophobicContact CZ-CZ 3.95Å
471G97Very high92.3Very high0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-57.6-43.4173.400000112.5V467 Y468 L474 L475V467-G471 PolarHBondContact O-N 3.03Å; Y468-G471 WeakPolarHBondContact O-CA 3.45Å; Y468-G471 PolarHBondContact O-N 3.26Å; Y468-G471 VanDerWaalsContact O-N 3.1Å; G471-L474 PolarHBondContact O-N 3.21Å; G471-L475 WeakPolarHBondContact O-CB 3.48Å; G471-L475 PolarHBondContact O-N 2.84Å
472M96.1Very high93.4Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-68.1-36.9175-66.8-57.7-177.500113F451 Y468 A469 F470 L475 E476 P483 Y484 P503 I524F451-M472 HydrophobicContact CD1-CB 3.78Å; F451-M472 HydrophobicContact CE1-CB 3.89Å; F451-M472 HydrophobicContact CG-CB 4.42Å; Y468-M472 HydrophobicContact CD1-CG 4.38Å; Y468-M472 HydrophobicContact CE1-CE 3.92Å; Y468-M472 HydrophobicContact CE1-CG 4.04Å; Y468-M472 HydrophobicContact CE2-CE 4.12Å; Y468-M472 PolarHBondContact O-N 3.37Å; Y468-M472 VanDerWaalsContact OH-CE 3.28Å; Y468-M472 WeakPolarHBondContact OH-CE 3.1Å; A469-M472 PolarHBondContact O-N 3.44Å; F470-M472 VanDerWaalsContact C-N 3.33Å; F470-M472 PolarHBondContact O-N 2.73Å; M472-L475 PolarHBondContact O-N 3.41Å; M472-L475 HydrophobicContact SD-CD2 4.16Å; M472-E476 PolarHBondContact O-N 2.86Å; M472-P483 HydrophobicContact CB-CG 4.31Å; M472-P483 HydrophobicContact SD-CB 3.97Å; M472-P483 HydrophobicContact SD-CG 4.28Å; M472-Y484 HydrophobicContact CE-CE2 3.79Å; M472-P503 HydrophobicContact CE-CG 4.01Å; M472-P503 HydrophobicContact SD-CG 4.07Å; M472-I524 HydrophobicContact CE-CB 4.18Å; M472-I524 HydrophobicContact CE-CD1 4.33Å; M472-I524 HydrophobicContact CE-CG2 3.93Å; M472-I524 HydrophobicContact CG-CG2 4.36Å; M472-I524 HydrophobicContact SD-CG2 4.13Å
473C97Very high94Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-63.3-40.3171.8-65.80000112.1K413 I417 A469 F470 E476 M477K413-C473 VanDerWaalsContact CA-SG 3.53Å; I417-C473 HydrophobicContact CD1-CB 4.41Å; A469-C473 PolarHBondContact O-N 3.22Å; A469-C473 PolarHBondContact O-SG 2.81Å; F470-C473 WeakPolarHBondContact O-CB 3.49Å; F470-C473 PolarHBondContact O-N 2.84Å; C473-E476 PolarHBondContact O-N 2.82Å; C473-M477 WeakPolarHBondContact O-CB 3.4Å; C473-M477 WeakPolarHBondContact O-CG 3.28Å; C473-M477 PolarHBondContact O-N 3.12Å
474L96.8Very high94.2Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-66-41176.2177.256.7000111.2L386 F470 G471 M477 V478 I516 I519 I520 F543L386-L474 HydrophobicContact CD1-CD1 4.12Å; L386-L474 HydrophobicContact CD2-CD1 4.34Å; L386-L474 HydrophobicContact CG-CD1 4.38Å; F470-L474 HydrophobicContact CE1-CD2 4.43Å; F470-L474 WeakPolarHBondContact O-CB 3.41Å; F470-L474 PolarHBondContact O-N 3.23Å; G471-L474 PolarHBondContact O-N 3.21Å; L474-M477 PolarHBondContact O-N 3.44Å; L474-V478 HydrophobicContact CD1-CG2 3.84Å; L474-V478 HydrophobicContact CG-CG2 4.46Å; L474-V478 WeakPolarHBondContact O-CB 3.26Å; L474-V478 WeakPolarHBondContact O-CG2 3.47Å; L474-V478 PolarHBondContact O-N 2.82Å; L474-I516 HydrophobicContact CD1-CG2 4.41Å; L474-I516 HydrophobicContact CG-CG2 4.45Å; L474-I519 HydrophobicContact CD2-CG2 3.74Å; L474-I520 HydrophobicContact CB-CG1 4.19Å; L474-I520 HydrophobicContact CD2-CD1 4.42Å; L474-I520 HydrophobicContact CD2-CG1 3.67Å; L474-I520 HydrophobicContact CG-CD1 3.99Å; L474-I520 HydrophobicContact CG-CG1 3.68Å; L474-F543 HydrophobicContact CD2-CZ 4.31Å
475L96Very high94.2Very high0 Ų016.7 Ų16.70%010%0.098CC..Hα-helixtrans-61.3-47.2174-178.360.9000112.3G471 M472 M477 V478 T479 P483 P503 F506 I509 I520G471-L475 WeakPolarHBondContact O-CB 3.48Å; G471-L475 PolarHBondContact O-N 2.84Å; M472-L475 PolarHBondContact O-N 3.41Å; M472-L475 HydrophobicContact SD-CD2 4.16Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 2.69Å; L475-V478 PolarHBondContact O-N 3.43Å; L475-T479 HydrophobicContact CD1-CG2 3.8Å; L475-T479 WeakPolarHBondContact O-CB 3.17Å; L475-T479 WeakPolarHBondContact O-CG2 3.13Å; L475-T479 PolarHBondContact O-N 3.3Å; L475-T479 PolarHBondContact O-OG1 3.14Å; L475-P483 HydrophobicContact CD2-CG 4.46Å; L475-P503 HydrophobicContact CD2-CB 4.05Å; L475-P503 HydrophobicContact CD2-CG 3.81Å; L475-F506 HydrophobicContact CD1-CB 4.47Å; L475-F506 HydrophobicContact CD2-CB 4.49Å; L475-I509 HydrophobicContact CD1-CD1 3.97Å; L475-I509 HydrophobicContact CD1-CG1 3.89Å; L475-I520 HydrophobicContact CB-CD1 4.17Å; L475-I520 HydrophobicContact CB-CG2 4.37Å; L475-I520 HydrophobicContact CD1-CD1 4.24Å
476E95.3Very high94.3Very high13 Ų1319.5 Ų19.56%0.06111%0.111CC..Hα-helixtrans-61.2-40.7175.5-164.9-170.616800111.3L375 C414 F451 M472 C473 V478 G480 P483L375-E476 HydrophobicContact CD1-CG 4.03Å; C414-E476 WeakPolarHBondContact CB-OE2 3.34Å; C414-E476 PolarHBondContact SG-OE2 3.15Å; F451-E476 WeakPolarHBondContact CZ-OE2 3.31Å; M472-E476 PolarHBondContact O-N 2.86Å; C473-E476 PolarHBondContact O-N 2.82Å; E476-V478 PolarHBondContact O-N 3.01Å; E476-G480 VanDerWaalsContact O-CA 3.29Å; E476-G480 WeakPolarHBondContact O-CA 3.41Å; E476-G480 PolarHBondContact O-N 3.26Å; E476-P483 HydrophobicContact CB-CG 4.43Å
477M94.1Very high94.1Very high4 Ų420.3 Ų20.32%0.0212%0.117CC..Hα-helixtrans-66.5-32.9178.1-82.6-168.1-75.600114.7L371 L375 I381 L386 C390 I393 C473 L474 L475L371-M477 HydrophobicContact CD1-CG 3.93Å; L371-M477 HydrophobicContact CD1-SD 3.83Å; L371-M477 HydrophobicContact CD2-CE 4.16Å; L371-M477 HydrophobicContact CD2-CG 3.81Å; 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 4.02Å; I381-M477 HydrophobicContact CD1-CG 3.79Å; I381-M477 HydrophobicContact CD1-SD 4.12Å; L386-M477 HydrophobicContact CD1-CB 3.55Å; L386-M477 HydrophobicContact CD1-CE 4.17Å; L386-M477 HydrophobicContact CD1-CG 4.23Å; L386-M477 HydrophobicContact CD1-SD 3.73Å; C390-M477 WeakPolarHBondContact SG-CE 3.38Å; I393-M477 HydrophobicContact CD1-CE 4.2Å; C473-M477 WeakPolarHBondContact O-CB 3.4Å; C473-M477 WeakPolarHBondContact O-CG 3.28Å; C473-M477 PolarHBondContact O-N 3.12Å; L474-M477 PolarHBondContact O-N 3.44Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 2.69Å
478V94.1Very high93.6Very high29 Ų2929.3 Ų29.318%0.17616%0.161CC..Hα-helixtrans-86-40.1-175.2169.30000111.6L386 L474 L475 E476 I509 I516L386-V478 HydrophobicContact CD1-CG2 4.42Å; L386-V478 HydrophobicContact CD2-CG2 3.64Å; L474-V478 HydrophobicContact CD1-CG2 3.84Å; L474-V478 HydrophobicContact CG-CG2 4.46Å; L474-V478 WeakPolarHBondContact O-CB 3.26Å; L474-V478 WeakPolarHBondContact O-CG2 3.47Å; L474-V478 PolarHBondContact O-N 2.82Å; L475-V478 PolarHBondContact O-N 3.43Å; E476-V478 PolarHBondContact O-N 3.01Å; V478-I509 HydrophobicContact CG1-CG2 4.18Å; V478-I516 HydrophobicContact CG1-CG2 4.26Å; V478-I516 HydrophobicContact CG2-CD1 4.35Å; V478-I516 HydrophobicContact CG2-CG2 3.67Å
479T92.3Very high92.9Very high29 Ų2932.4 Ų32.418%0.17818%0.178CC..Hα-helixtrans-86-31.9-179.359.70000112.5L475 E481 C505L475-T479 HydrophobicContact CD1-CG2 3.8Å; L475-T479 WeakPolarHBondContact O-CB 3.17Å; L475-T479 WeakPolarHBondContact O-CG2 3.13Å; L475-T479 PolarHBondContact O-N 3.3Å; L475-T479 PolarHBondContact O-OG1 3.14Å; T479-E481 PolarHBondContact OG1-N 2.88Å; T479-E481 VanDerWaalsContact OG1-N 3.08Å; T479-E481 PolarHBondContact OG1-O 3.01Å; T479-C505 HydrophobicContact CG2-CB 4.1Å; T479-C505 WeakPolarHBondContact CG2-O 3.25Å
480G91.8Very high92.2Very high39 Ų3936 Ų3640%0.40220%0.201SC..SBendtrans73.77.7-165.600000113.5E476E476-G480 VanDerWaalsContact O-CA 3.29Å; E476-G480 WeakPolarHBondContact O-CA 3.41Å; E476-G480 PolarHBondContact O-N 3.26Å
481E91.6Very high91.3Very high69 Ų6938.3 Ų38.332%0.32222%0.22SC..SBendtrans-113.6144.5-177-60.5-172.6145.400110.5T479 C505 R508T479-E481 PolarHBondContact OG1-N 2.88Å; T479-E481 VanDerWaalsContact OG1-N 3.08Å; T479-E481 PolarHBondContact OG1-O 3.01Å; E481-C505 HydrophobicContact CB-CB 4.23Å; E481-R508 IonicContact OE1-NH1 3.97Å; E481-R508 PolarHBondContact OE1-NH1 3.35Å; E481-R508 WeakPolarHBondContact OE2-CD 2.92Å; E481-R508 IonicContact OE2-CZ 3.44Å; E481-R508 IonicContact OE2-NE 3.21Å; E481-R508 IonicContact OE2-NH1 2.77Å; E481-R508 PolarHBondContact OE2-NH1 2.77Å
482Y90.8Very high90.9Very high75 Ų7540.1 Ų40.129%0.29423%0.231SC..  trans-74.3129.8-179.3-165-112.3000110.3T448 E450 F451 S485T448-Y482 WeakPolarHBondContact CG2-OH 3.22Å; E450-Y482 HydrophobicContact CB-CE1 4.29Å; E450-Y482 HydrophobicContact CG-CE1 3.85Å; F451-Y482 HydrophobicContact CE2-CD2 4.28Å; F451-Y482 AromaticContact CE2-CE2 3.49Å; F451-Y482 HydrophobicContact CE2-CE2 3.49Å; F451-Y482 VanDerWaalsContact CE2-CE2 3.49Å; F451-Y482 AromaticContact CE2-CZ 3.67Å; F451-Y482 HydrophobicContact CZ-CE2 4.01Å; Y482-S485 WeakPolarHBondContact O-CB 3.39Å; Y482-S485 PolarHBondContact O-N 2.89Å; Y482-S485 PolarHBondContact O-OG 2.96Å
483P93.5Very high90.5Very high0 Ų040.2 Ų40.20%023%0.231CC..THydrogen-bonded Turntrans-55.5141177.7-27.135.6000112.6F451 M472 L475 E476 S485 P503F451-P483 HydrophobicContact CE2-CG 4.47Å; F451-P483 HydrophobicContact CZ-CG 4.15Å; M472-P483 HydrophobicContact CB-CG 4.31Å; M472-P483 HydrophobicContact SD-CB 3.97Å; M472-P483 HydrophobicContact SD-CG 4.28Å; L475-P483 HydrophobicContact CD2-CG 4.46Å; E476-P483 HydrophobicContact CB-CG 4.43Å; P483-S485 PolarHBondContact O-N 3.26Å; P483-S485 VanDerWaalsContact O-N 3.17Å; P483-P503 HydrophobicContact CB-CG 4.26Å
484Y93.7Very high89.7Confident8 Ų844.9 Ų44.93%0.03125%0.25CC..THydrogen-bonded Turntrans54.923.7-176.3-59.3-67.9000115.5E450 M472 E486 C487 I493 K496 V497 V501 P503E450-Y484 HydrophobicContact CB-CD2 4.43Å; M472-Y484 HydrophobicContact CE-CE2 3.79Å; Y484-E486 VanDerWaalsContact CA-OE2 3.22Å; Y484-E486 WeakPolarHBondContact CA-OE2 3.41Å; Y484-E486 PolarHBondContact O-N 3.09Å; Y484-E486 VanDerWaalsContact O-N 3.08Å; Y484-C487 VanDerWaalsContact O-CB 3.25Å; Y484-C487 WeakPolarHBondContact O-CB 3.47Å; Y484-C487 PolarHBondContact O-N 3.14Å; Y484-I493 HydrophobicContact CD2-CG2 3.88Å; Y484-I493 HydrophobicContact CE2-CG2 4.4Å; Y484-I493 HydrophobicContact CG-CG2 4.16Å; Y484-K496 HydrophobicContact CD1-CD 4.02Å; Y484-K496 HydrophobicContact CE1-CB 4.14Å; Y484-K496 HydrophobicContact CE1-CD 4.1Å; Y484-V497 HydrophobicContact CD2-CG2 4.46Å; Y484-V497 HydrophobicContact CE2-CG2 3.56Å; Y484-V497 WeakPolarHBondContact OH-CG2 3.43Å; Y484-V501 WeakPolarHBondContact CE1-O 3.29Å; Y484-V501 PolarHBondContact OH-O 3Å; Y484-P503 HydrophobicContact CD1-CB 4.08Å; Y484-P503 HydrophobicContact CD1-CG 3.99Å; Y484-P503 HydrophobicContact CD2-CG 4.05Å; Y484-P503 HydrophobicContact CE1-CB 4.14Å; Y484-P503 HydrophobicContact CE1-CG 3.7Å; Y484-P503 HydrophobicContact CE2-CG 3.78Å; Y484-P503 HydrophobicContact CG-CB 4.37Å; Y484-P503 HydrophobicContact CG-CG 4.16Å
485S92Very high89.2Confident75 Ų7551.8 Ų51.852%0.52428%0.276SS..THydrogen-bonded Turntrans-62.9-13.3178.644.30000114.7Y482 P483 C487Y482-S485 WeakPolarHBondContact O-CB 3.39Å; Y482-S485 PolarHBondContact O-N 2.89Å; Y482-S485 PolarHBondContact O-OG 2.96Å; P483-S485 PolarHBondContact O-N 3.26Å; P483-S485 VanDerWaalsContact O-N 3.17Å; S485-C487 PolarHBondContact O-N 3.29Å
486E91.8Very high89Confident59 Ų5954.1 Ų54.128%0.27629%0.286SS..THydrogen-bonded Turntrans-73.4-6.6167.776.5-74.4176.200114Y484 K496 E504Y484-E486 VanDerWaalsContact CA-OE2 3.22Å; Y484-E486 WeakPolarHBondContact CA-OE2 3.41Å; Y484-E486 PolarHBondContact O-N 3.09Å; Y484-E486 VanDerWaalsContact O-N 3.08Å; E486-K496 IonicContact OE1-NZ 3.91Å; E486-K496 PolarHBondContact OE1-NZ 3.12Å; E486-E504 HydrophobicContact CG-CB 4.18Å; E486-E504 PolarHBondContact OE1-N 2.71Å
487C89.3Confident88.7Confident17 Ų1753.8 Ų53.812%0.11529%0.285CS..  trans-102.3118.7-176.8-59.10000112.4Y484 S485 N489 T492 I493Y484-C487 VanDerWaalsContact O-CB 3.25Å; Y484-C487 WeakPolarHBondContact O-CB 3.47Å; Y484-C487 PolarHBondContact O-N 3.14Å; S485-C487 PolarHBondContact O-N 3.29Å; C487-N489 VanDerWaalsContact C-N 3.29Å; C487-N489 PolarHBondContact O-N 3.42Å; C487-T492 HydrophobicContact CB-CG2 4.14Å; C487-I493 HydrophobicContact CB-CD1 4.23Å; C487-I493 HydrophobicContact CB-CG1 3.51Å
488M84.9Confident88.2Confident193 Ų19357.4 Ų57.495%0.95130%0.303SS*.SBendtrans-72.1-12.1-178-61.9-178.973.300115.6
489N79.8Confident88Confident70 Ų7059.8 Ų59.837%0.37432%0.322SS..SBendtrans-155.9154-178.465.875.5000113.5C487 A491 T492 I493C487-N489 VanDerWaalsContact C-N 3.29Å; C487-N489 PolarHBondContact O-N 3.42Å; N489-A491 VanDerWaalsContact C-N 3.28Å; N489-A491 PolarHBondContact O-N 3.12Å; N489-A491 WeakPolarHBondContact OD1-CB 3.42Å; N489-A491 PolarHBondContact OD1-N 3.12Å; N489-A491 VanDerWaalsContact OD1-N 3.15Å; N489-T492 PolarHBondContact ND2-OG1 2.79Å; N489-T492 PolarHBondContact O-N 3.12Å; N489-T492 VanDerWaalsContact O-N 3.11Å; N489-T492 PolarHBondContact OD1-N 3.45Å; N489-T492 PolarHBondContact OD1-OG1 3.39Å; N489-I493 PolarHBondContact O-N 2.88Å
490P80.4Confident87.8Confident76 Ų7660 Ų6049%0.49433%0.329SS..Hα-helixtrans-53.1-34.5177.5-32.638.7000115.8P449 T492 I493 Y494P449-P490 HydrophobicContact CB-CB 4.29Å; P449-P490 HydrophobicContact CG-CB 3.86Å; P449-P490 HydrophobicContact CG-CG 3.98Å; P490-T492 VanDerWaalsContact C-N 3.32Å; P490-T492 PolarHBondContact O-N 3.45Å; P490-I493 WeakPolarHBondContact O-CB 3.23Å; P490-I493 PolarHBondContact O-N 3.02Å; P490-Y494 WeakPolarHBondContact O-CB 3.14Å; P490-Y494 PolarHBondContact O-N 2.76Å
491A79.1Confident87.8Confident49 Ų4961.3 Ų61.341%0.40533%0.329SS..Hα-helixtrans-70.1-30.4-178.800000112.3N489 R495N489-A491 VanDerWaalsContact C-N 3.28Å; N489-A491 PolarHBondContact O-N 3.12Å; N489-A491 WeakPolarHBondContact OD1-CB 3.42Å; N489-A491 PolarHBondContact OD1-N 3.12Å; N489-A491 VanDerWaalsContact OD1-N 3.15Å; A491-R495 WeakPolarHBondContact O-CG 3.46Å; A491-R495 PolarHBondContact O-N 3.47Å; A491-R495 VanDerWaalsContact O-N 3.16Å; A491-R495 PolarHBondContact O-NH1 2.79Å
492T89.1Confident88Confident37 Ų3761.7 Ų61.723%0.22733%0.33CS..Hα-helixtrans-70.2-39.9171.3-59.50000111.7C487 N489 P490 R495 K496C487-T492 HydrophobicContact CB-CG2 4.14Å; N489-T492 PolarHBondContact ND2-OG1 2.79Å; N489-T492 PolarHBondContact O-N 3.12Å; N489-T492 VanDerWaalsContact O-N 3.11Å; N489-T492 PolarHBondContact OD1-N 3.45Å; N489-T492 PolarHBondContact OD1-OG1 3.39Å; P490-T492 VanDerWaalsContact C-N 3.32Å; P490-T492 PolarHBondContact O-N 3.45Å; T492-R495 PolarHBondContact O-N 3.26Å; T492-R495 PolarHBondContact OG1-NH2 2.98Å; T492-K496 PolarHBondContact O-N 3.19Å; T492-K496 VanDerWaalsContact O-N 3.09Å
493I86.5Confident88.2Confident2 Ų258.3 Ų58.31%0.0132%0.317CS..Hα-helixtrans-61.3-52.4175-63.2155.2000109.8E450 Y484 C487 N489 P490 R495 K496 V497E450-I493 HydrophobicContact CG-CD1 3.67Å; E450-I493 HydrophobicContact CG-CG1 4.47Å; E450-I493 HydrophobicContact CG-CG2 4.46Å; E450-I493 VanDerWaalsContact OE1-CD1 3.29Å; E450-I493 WeakPolarHBondContact OE1-CD1 3.45Å; Y484-I493 HydrophobicContact CD2-CG2 3.88Å; Y484-I493 HydrophobicContact CE2-CG2 4.4Å; Y484-I493 HydrophobicContact CG-CG2 4.16Å; C487-I493 HydrophobicContact CB-CD1 4.23Å; C487-I493 HydrophobicContact CB-CG1 3.51Å; N489-I493 PolarHBondContact O-N 2.88Å; P490-I493 WeakPolarHBondContact O-CB 3.23Å; P490-I493 PolarHBondContact O-N 3.02Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 2.99Å; I493-K496 WeakPolarHBondContact O-CB 3.47Å; I493-K496 PolarHBondContact O-N 3.03Å; I493-K496 VanDerWaalsContact O-N 3.09Å; I493-V497 HydrophobicContact CG2-CG2 4.14Å; I493-V497 VanDerWaalsContact O-CG2 3.32Å; I493-V497 WeakPolarHBondContact O-CG2 3.47Å; I493-V497 PolarHBondContact O-N 3.16Å
494Y81.4Confident88.2Confident98 Ų9862.7 Ų62.738%0.38434%0.338SS..Hα-helixtrans-52.3-47.6176.8176.4-105.6000112.8Y457 P490 V497 I498Y457-Y494 AromaticContact CD1-CD2 3.84Å; Y457-Y494 HydrophobicContact CD1-CD2 3.84Å; Y457-Y494 AromaticContact CD1-CE2 3.7Å; Y457-Y494 HydrophobicContact CD1-CE2 3.7Å; Y457-Y494 AromaticContact CD2-CD2 3.91Å; Y457-Y494 HydrophobicContact CD2-CD2 3.91Å; Y457-Y494 AromaticContact CD2-CE2 3.85Å; Y457-Y494 HydrophobicContact CD2-CE2 3.85Å; Y457-Y494 AromaticContact CE1-CD2 3.75Å; Y457-Y494 HydrophobicContact CE1-CD2 3.75Å; Y457-Y494 HydrophobicContact CE1-CE2 4.12Å; Y457-Y494 AromaticContact CE2-CD2 3.84Å; Y457-Y494 HydrophobicContact CE2-CD2 3.84Å; Y457-Y494 HydrophobicContact CE2-CE2 4.26Å; Y457-Y494 AromaticContact CG-CD2 3.92Å; Y457-Y494 HydrophobicContact CG-CD2 3.92Å; Y457-Y494 AromaticContact CG-CE2 3.55Å; Y457-Y494 HydrophobicContact CG-CE2 3.55Å; Y457-Y494 AromaticContact CZ-CD2 3.74Å; P490-Y494 WeakPolarHBondContact O-CB 3.14Å; P490-Y494 PolarHBondContact O-N 2.76Å; Y494-V497 PolarHBondContact O-N 2.96Å; Y494-I498 HydrophobicContact CD1-CD1 4.39Å; Y494-I498 HydrophobicContact CD2-CD1 3.98Å; Y494-I498 HydrophobicContact CE1-CD1 3.84Å; Y494-I498 HydrophobicContact CE2-CD1 3.37Å; Y494-I498 HydrophobicContact CE2-CG1 4.39Å; Y494-I498 HydrophobicContact CG-CD1 4.46Å; Y494-I498 PolarHBondContact O-N 3.28Å; Y494-I498 VanDerWaalsContact O-N 3.09Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.37Å
495R86.8Confident88.2Confident145 Ų14562.4 Ų62.455%0.54734%0.337SS..Hα-helixtrans-60.4-46.1175.8-74.9-171.2-56.5-81.2-1.7112.4A491 T492 I493 S499A491-R495 WeakPolarHBondContact O-CG 3.46Å; A491-R495 PolarHBondContact O-N 3.47Å; A491-R495 VanDerWaalsContact O-N 3.16Å; A491-R495 PolarHBondContact O-NH1 2.79Å; T492-R495 PolarHBondContact O-N 3.26Å; T492-R495 PolarHBondContact OG1-NH2 2.98Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 2.99Å; R495-S499 WeakPolarHBondContact O-CB 3.26Å; R495-S499 PolarHBondContact O-N 2.65Å; R495-S499 PolarHBondContact O-OG 2.84Å; R495-S499 VanDerWaalsContact O-OG 3.12Å
496K91.1Very high88.3Confident49 Ų4959.8 Ų59.821%0.21332%0.316CS..Hα-helixtrans-60.9-47.4177.3-80.5-166.6179-166.50112.4Y484 E486 T492 I493 S499 G500 V501Y484-K496 HydrophobicContact CD1-CD 4.02Å; Y484-K496 HydrophobicContact CE1-CB 4.14Å; Y484-K496 HydrophobicContact CE1-CD 4.1Å; E486-K496 IonicContact OE1-NZ 3.91Å; E486-K496 PolarHBondContact OE1-NZ 3.12Å; T492-K496 PolarHBondContact O-N 3.19Å; T492-K496 VanDerWaalsContact O-N 3.09Å; I493-K496 WeakPolarHBondContact O-CB 3.47Å; I493-K496 PolarHBondContact O-N 3.03Å; I493-K496 VanDerWaalsContact O-N 3.09Å; K496-S499 CarbonylContact O-C 3.52Å; K496-S499 PolarHBondContact O-N 3.41Å; K496-S499 PolarHBondContact O-OG 3.17Å; K496-G500 PolarHBondContact O-N 2.88Å; K496-G500 VanDerWaalsContact O-N 3.11Å; K496-V501 HydrophobicContact CB-CB 4.07Å; K496-V501 HydrophobicContact CB-CG1 4.36Å; K496-V501 HydrophobicContact CD-CG1 3.91Å; K496-V501 HydrophobicContact CG-CB 4.11Å; K496-V501 HydrophobicContact CG-CG1 3.95Å; K496-V501 PolarHBondContact O-N 2.64Å
497V87.8Confident88.4Confident6 Ų661.2 Ų61.24%0.03633%0.332CS..Hα-helixtrans-60.6-46.8-177.7170.80000110.9P454 Y468 Y484 I493 Y494 G500P454-V497 HydrophobicContact CB-CG1 4.06Å; P454-V497 HydrophobicContact CG-CG1 4.29Å; Y468-V497 WeakPolarHBondContact OH-CG1 3.44Å; Y484-V497 HydrophobicContact CD2-CG2 4.46Å; Y484-V497 HydrophobicContact CE2-CG2 3.56Å; Y484-V497 WeakPolarHBondContact OH-CG2 3.43Å; I493-V497 HydrophobicContact CG2-CG2 4.14Å; I493-V497 VanDerWaalsContact O-CG2 3.32Å; I493-V497 WeakPolarHBondContact O-CG2 3.47Å; I493-V497 PolarHBondContact O-N 3.16Å; Y494-V497 PolarHBondContact O-N 2.96Å; V497-G500 PolarHBondContact O-N 3.43Å
498I85.6Confident88.6Confident80 Ų8066.1 Ų66.141%0.4135%0.349SS..Hα-helixtrans-68.1-38177.2-71.2179000111.7P454 Y494 G500P454-I498 HydrophobicContact CB-CG1 4.03Å; Y494-I498 HydrophobicContact CD1-CD1 4.39Å; Y494-I498 HydrophobicContact CD2-CD1 3.98Å; Y494-I498 HydrophobicContact CE1-CD1 3.84Å; Y494-I498 HydrophobicContact CE2-CD1 3.37Å; Y494-I498 HydrophobicContact CE2-CG1 4.39Å; Y494-I498 HydrophobicContact CG-CD1 4.46Å; Y494-I498 PolarHBondContact O-N 3.28Å; Y494-I498 VanDerWaalsContact O-N 3.09Å; Y494-I498 WeakPolarHBondContact OH-CD1 3.37Å; I498-G500 PolarHBondContact O-N 3.35Å
499S88.1Confident88.9Confident80 Ų8057.6 Ų57.656%0.55931%0.306SS*.THydrogen-bonded Turntrans-78.49.2176.376.50000114.2R495 K496 V501R495-S499 WeakPolarHBondContact O-CB 3.26Å; R495-S499 PolarHBondContact O-N 2.65Å; R495-S499 PolarHBondContact O-OG 2.84Å; R495-S499 VanDerWaalsContact O-OG 3.12Å; K496-S499 CarbonylContact O-C 3.52Å; K496-S499 PolarHBondContact O-N 3.41Å; K496-S499 PolarHBondContact O-OG 3.17Å; S499-V501 PolarHBondContact O-N 2.9Å; S499-V501 VanDerWaalsContact O-N 3.16Å; S499-V501 WeakPolarHBondContact OG-CG2 3.31Å
500G88.6Confident89.3Confident32 Ų3256.2 Ų56.233%0.3330%0.302SS..THydrogen-bonded Turntrans65.812.5-179.400000116K496 V497 I498 K502K496-G500 PolarHBondContact O-N 2.88Å; K496-G500 VanDerWaalsContact O-N 3.11Å; V497-G500 PolarHBondContact O-N 3.43Å; I498-G500 PolarHBondContact O-N 3.35Å; G500-K502 PolarHBondContact O-N 3.24Å; G500-K502 VanDerWaalsContact O-N 3.17Å
501V92.9Very high89.6Confident68 Ų6857.1 Ų57.141%0.41232%0.316SS..  trans-78.6102.1178.4174.30000108.5Y484 K496 S499Y484-V501 WeakPolarHBondContact CE1-O 3.29Å; Y484-V501 PolarHBondContact OH-O 3Å; K496-V501 HydrophobicContact CB-CB 4.07Å; K496-V501 HydrophobicContact CB-CG1 4.36Å; K496-V501 HydrophobicContact CD-CG1 3.91Å; K496-V501 HydrophobicContact CG-CB 4.11Å; K496-V501 HydrophobicContact CG-CG1 3.95Å; K496-V501 PolarHBondContact O-N 2.64Å; S499-V501 PolarHBondContact O-N 2.9Å; S499-V501 VanDerWaalsContact O-N 3.16Å; S499-V501 WeakPolarHBondContact OG-CG2 3.31Å
502K94.9Very high89.7Confident77 Ų7760.8 Ų60.834%0.33532%0.324SS..  trans-62.6158-179.5-66.4166.5-174.6166.50111.9G500 F506 D521 I524G500-K502 PolarHBondContact O-N 3.24Å; G500-K502 VanDerWaalsContact O-N 3.17Å; K502-F506 HydrophobicContact CB-CB 4.32Å; K502-F506 HydrophobicContact CB-CD1 4.27Å; K502-F506 HydrophobicContact CB-CG 4.32Å; K502-F506 HydrophobicContact CD-CD1 3.98Å; K502-F506 HydrophobicContact CD-CE1 3.81Å; K502-F506 HydrophobicContact CD-CG 4.45Å; K502-F506 HydrophobicContact CD-CZ 4.16Å; K502-D521 IonicContact NZ-OD1 2.7Å; K502-D521 PolarHBondContact NZ-OD1 3.27Å; K502-D521 IonicContact NZ-OD2 3.21Å; K502-I524 HydrophobicContact CB-CD1 4.43Å; K502-I524 HydrophobicContact CD-CD1 4.32Å; K502-I524 HydrophobicContact CG-CD1 4Å
503P94.3Very high89.4Confident4 Ų462.6 Ų62.63%0.02633%0.327CS..  trans-56.4147.5176.7-24.533.8000112.4M472 L475 P483 Y484 C505 F506M472-P503 HydrophobicContact CE-CG 4.01Å; M472-P503 HydrophobicContact SD-CG 4.07Å; L475-P503 HydrophobicContact CD2-CB 4.05Å; L475-P503 HydrophobicContact CD2-CG 3.81Å; P483-P503 HydrophobicContact CB-CG 4.26Å; Y484-P503 HydrophobicContact CD1-CB 4.08Å; Y484-P503 HydrophobicContact CD1-CG 3.99Å; Y484-P503 HydrophobicContact CD2-CG 4.05Å; Y484-P503 HydrophobicContact CE1-CB 4.14Å; Y484-P503 HydrophobicContact CE1-CG 3.7Å; Y484-P503 HydrophobicContact CE2-CG 3.78Å; Y484-P503 HydrophobicContact CG-CB 4.37Å; Y484-P503 HydrophobicContact CG-CG 4.16Å; P503-C505 PolarHBondContact O-N 3.41Å; P503-F506 WeakPolarHBondContact O-CB 3.25Å; P503-F506 PolarHBondContact O-N 2.68Å
504E93.9Very high89.4Confident92 Ų9266.5 Ų66.543%0.4335%0.353SS..G310 helixtrans-58-38.7177.8-162.6-164129.900111.7E486 F506 S507 R508E486-E504 HydrophobicContact CG-CB 4.18Å; E486-E504 PolarHBondContact OE1-N 2.71Å; E504-F506 PolarHBondContact O-N 2.87Å; E504-F506 VanDerWaalsContact O-N 3.12Å; E504-S507 WeakPolarHBondContact O-CB 3.14Å; E504-S507 PolarHBondContact O-N 3.08Å; E504-S507 PolarHBondContact O-OG 2.66Å; E504-R508 IonicContact OE1-CZ 2.73Å; E504-R508 IonicContact OE1-NE 2.69Å; E504-R508 IonicContact OE1-NH2 3.53Å; E504-R508 PolarHBondContact OE1-NH2 2.88Å
505C93.8Very high89.6Confident2 Ų264 Ų641%0.01434%0.344CS..G310 helixtrans-64.6-13.6178.264.20000114.5T479 E481 P503 S507 R508T479-C505 HydrophobicContact CG2-CB 4.1Å; T479-C505 WeakPolarHBondContact CG2-O 3.25Å; E481-C505 HydrophobicContact CB-CB 4.23Å; P503-C505 PolarHBondContact O-N 3.41Å; C505-S507 PolarHBondContact O-N 3.22Å; C505-R508 WeakPolarHBondContact O-CB 3.42Å; C505-R508 PolarHBondContact O-N 3.01Å
506F95Very high89.9Confident19 Ų1957.1 Ų57.18%0.08332%0.319CS..G310 helixtrans-62.9-31.4169.4-178.8-99000112.1L475 K502 P503 E504 R508 I509 R517 I520 D521 I524L475-F506 HydrophobicContact CD1-CB 4.47Å; L475-F506 HydrophobicContact CD2-CB 4.49Å; K502-F506 HydrophobicContact CB-CB 4.32Å; K502-F506 HydrophobicContact CB-CD1 4.27Å; K502-F506 HydrophobicContact CB-CG 4.32Å; K502-F506 HydrophobicContact CD-CD1 3.98Å; K502-F506 HydrophobicContact CD-CE1 3.81Å; K502-F506 HydrophobicContact CD-CG 4.45Å; K502-F506 HydrophobicContact CD-CZ 4.16Å; P503-F506 WeakPolarHBondContact O-CB 3.25Å; P503-F506 PolarHBondContact O-N 2.68Å; E504-F506 PolarHBondContact O-N 2.87Å; E504-F506 VanDerWaalsContact O-N 3.12Å; F506-R508 PolarHBondContact O-N 3.17Å; F506-I509 HydrophobicContact CD2-CD1 3.64Å; F506-I509 HydrophobicContact CE2-CD1 3.95Å; F506-I509 HydrophobicContact CG-CD1 4.24Å; F506-I509 WeakPolarHBondContact O-CD1 3.44Å; F506-I509 WeakPolarHBondContact O-CG1 3.43Å; F506-R517 HydrophobicContact CE2-CG 4.29Å; F506-R517 HydrophobicContact CZ-CG 3.98Å; F506-I520 HydrophobicContact CD2-CG2 3.85Å; F506-I520 HydrophobicContact CE2-CB 4.22Å; F506-I520 HydrophobicContact CE2-CG2 3.81Å; F506-D521 HydrophobicContact CE2-CB 4.36Å; F506-D521 HydrophobicContact CZ-CB 4.04Å; F506-D521 WeakPolarHBondContact CZ-OD1 3.47Å; F506-I524 HydrophobicContact CD2-CD1 4.04Å; F506-I524 HydrophobicContact CE2-CD1 4.29Å
507S93.4Very high90Very high89 Ų8961.3 Ų61.362%0.62233%0.333SS*.G310 helixtrans-70.9-20.5172.470.90000113.3E504 C505E504-S507 WeakPolarHBondContact O-CB 3.14Å; E504-S507 PolarHBondContact O-N 3.08Å; E504-S507 PolarHBondContact O-OG 2.66Å; C505-S507 PolarHBondContact O-N 3.22Å
508R92.3Very high90.3Very high121 Ų12164.1 Ų64.146%0.45735%0.346SS..G310 helixtrans-944.5-175.2-54.3178-177-170.9-2.9113E481 E504 C505 F506E481-R508 IonicContact OE1-NH1 3.97Å; E481-R508 PolarHBondContact OE1-NH1 3.35Å; E481-R508 WeakPolarHBondContact OE2-CD 2.92Å; E481-R508 IonicContact OE2-CZ 3.44Å; E481-R508 IonicContact OE2-NE 3.21Å; E481-R508 IonicContact OE2-NH1 2.77Å; E481-R508 PolarHBondContact OE2-NH1 2.77Å; E504-R508 IonicContact OE1-CZ 2.73Å; E504-R508 IonicContact OE1-NE 2.69Å; E504-R508 IonicContact OE1-NH2 3.53Å; E504-R508 PolarHBondContact OE1-NH2 2.88Å; C505-R508 WeakPolarHBondContact O-CB 3.42Å; C505-R508 PolarHBondContact O-N 3.01Å; F506-R508 PolarHBondContact O-N 3.17Å
509I92.4Very high90.7Very high13 Ų1360.3 Ų60.37%0.06733%0.327CS..SBendtrans-59.6125.2172.5-64.6165.9000108.4L475 V478 F506 A511 R517 I520L475-I509 HydrophobicContact CD1-CD1 3.97Å; L475-I509 HydrophobicContact CD1-CG1 3.89Å; V478-I509 HydrophobicContact CG1-CG2 4.18Å; F506-I509 HydrophobicContact CD2-CD1 3.64Å; F506-I509 HydrophobicContact CE2-CD1 3.95Å; F506-I509 HydrophobicContact CG-CD1 4.24Å; F506-I509 WeakPolarHBondContact O-CD1 3.44Å; F506-I509 WeakPolarHBondContact O-CG1 3.43Å; I509-A511 PolarHBondContact O-N 3.37Å; I509-R517 HydrophobicContact CD1-CB 4.15Å; I509-R517 HydrophobicContact CD1-CG 4.04Å; I509-R517 HydrophobicContact CG2-CB 4.06Å; I509-I520 HydrophobicContact CD1-CD1 3.69Å; I509-I520 HydrophobicContact CG1-CD1 4.36Å
510P88.7Confident91.1Very high42 Ų4256.5 Ų56.527%0.27330%0.3SS..  trans-61.6128.1-173.4-24.434.1000112.9Q512 Y513P510-Q512 VanDerWaalsContact CB-CD 3.46Å; P510-Q512 VanDerWaalsContact CB-NE2 3.32Å; P510-Q512 PolarHBondContact O-N 2.75Å; P510-Y513 HydrophobicContact CB-CD2 4.36Å; P510-Y513 PolarHBondContact O-N 2.71Å
511A85.7Confident91.4Very high95 Ų9556.9 Ų56.979%0.78529%0.294SS*.THydrogen-bonded Turntrans-60.3-19.1-171.600000114.8I509 Y513I509-A511 PolarHBondContact O-N 3.37Å; A511-Y513 PolarHBondContact O-N 2.96Å
512Q81.3Confident91.5Very high126 Ų12655.8 Ų55.859%0.58928%0.283SS*.THydrogen-bonded Turntrans-73.7-2.2173.574-83.51300114.8P510 P514P510-Q512 VanDerWaalsContact CB-CD 3.46Å; P510-Q512 VanDerWaalsContact CB-NE2 3.32Å; P510-Q512 PolarHBondContact O-N 2.75Å; Q512-P514 VanDerWaalsContact C-CD 3.48Å
513Y84Confident91.5Very high74 Ų7452.1 Ų52.129%0.2927%0.267SS..  trans-128.460.3176.7-55.8-54.5000112.2I383 P510 A511 E515 I516 R517I383-Y513 HydrophobicContact CD1-CD1 4.48Å; I383-Y513 HydrophobicContact CD1-CE1 4.32Å; I383-Y513 HydrophobicContact CG1-CE1 4.16Å; P510-Y513 HydrophobicContact CB-CD2 4.36Å; P510-Y513 PolarHBondContact O-N 2.71Å; A511-Y513 PolarHBondContact O-N 2.96Å; Y513-E515 VanDerWaalsContact CA-OE2 3.28Å; Y513-E515 WeakPolarHBondContact CA-OE2 3.32Å; Y513-E515 PolarHBondContact O-N 3.5Å; Y513-I516 HydrophobicContact CD2-CD1 4.22Å; Y513-I516 HydrophobicContact CG-CD1 3.89Å; Y513-I516 WeakPolarHBondContact O-CB 3.19Å; Y513-I516 PolarHBondContact O-N 2.73Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; Y513-R517 PolarHBondContact O-N 3.45Å
514P85.5Confident91.6Very high84 Ų8452.3 Ų52.355%0.54527%0.268SS..Hα-helixtrans-60.4-30.8-178.927.6-35.3000112.4Q512 I516 R517 E518Q512-P514 VanDerWaalsContact C-CD 3.48Å; P514-I516 VanDerWaalsContact C-N 3.29Å; P514-I516 PolarHBondContact O-N 3.33Å; P514-R517 WeakPolarHBondContact O-CB 3.38Å; P514-R517 PolarHBondContact O-N 3.02Å; P514-R517 VanDerWaalsContact O-N 3.12Å; P514-E518 PolarHBondContact O-N 3.31Å
515E86.4Confident91.5Very high45 Ų4551 Ų5121%0.2126%0.259CS..Hα-helixtrans-66.6-31.1178.978.2-79.4-155.600112.3Y513 E518 I519 F542Y513-E515 VanDerWaalsContact CA-OE2 3.28Å; Y513-E515 WeakPolarHBondContact CA-OE2 3.32Å; Y513-E515 PolarHBondContact O-N 3.5Å; E515-E518 PolarHBondContact O-N 2.96Å; E515-I519 WeakPolarHBondContact O-CB 3.39Å; E515-I519 WeakPolarHBondContact O-CD1 3.45Å; E515-I519 WeakPolarHBondContact O-CG1 3.48Å; E515-I519 PolarHBondContact O-N 3.31Å; E515-F542 HydrophobicContact CG-CB 4.2Å; E515-F542 HydrophobicContact CG-CD2 3.35Å; E515-F542 HydrophobicContact CG-CE2 4.02Å; E515-F542 HydrophobicContact CG-CG 4.04Å; E515-F542 WeakPolarHBondContact OE1-CD2 3.4Å
516I92.8Very high91.3Very high1 Ų153.6 Ų53.61%0.00528%0.275CS..Hα-helixtrans-67.6-40.8173.1-63.4-177.9000110.3I383 L386 L474 V478 Y513 P514 I519 I520 F542I383-I516 HydrophobicContact CD1-CD1 3.83Å; L386-I516 HydrophobicContact CD2-CD1 4.01Å; L474-I516 HydrophobicContact CD1-CG2 4.41Å; L474-I516 HydrophobicContact CG-CG2 4.45Å; V478-I516 HydrophobicContact CG1-CG2 4.26Å; V478-I516 HydrophobicContact CG2-CD1 4.35Å; V478-I516 HydrophobicContact CG2-CG2 3.67Å; Y513-I516 HydrophobicContact CD2-CD1 4.22Å; Y513-I516 HydrophobicContact CG-CD1 3.89Å; Y513-I516 WeakPolarHBondContact O-CB 3.19Å; Y513-I516 PolarHBondContact O-N 2.73Å; Y513-I516 VanDerWaalsContact O-N 3.14Å; P514-I516 VanDerWaalsContact C-N 3.29Å; P514-I516 PolarHBondContact O-N 3.33Å; I516-I519 PolarHBondContact O-N 2.95Å; I516-I520 HydrophobicContact CG2-CD1 3.79Å; I516-I520 HydrophobicContact CG2-CG1 4.4Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.42Å; I516-I520 PolarHBondContact O-N 2.83Å; I516-F542 HydrophobicContact CD1-CE1 4.47Å; I516-F542 HydrophobicContact CD1-CE2 3.78Å; I516-F542 HydrophobicContact CD1-CZ 3.5Å; I516-F542 VanDerWaalsContact CD1-CZ 3.5Å; I516-F542 HydrophobicContact CG1-CD2 4.25Å; I516-F542 HydrophobicContact CG1-CE1 4.06Å; I516-F542 HydrophobicContact CG1-CE2 3.45Å; I516-F542 VanDerWaalsContact CG1-CE2 3.45Å; I516-F542 HydrophobicContact CG1-CZ 3.36Å
517R93.1Very high90.8Very high138 Ų13859.7 Ų59.752%0.52130%0.297SS..Hα-helixtrans-63.7-43.3177-174.9176.7176.1-162.1-3.1111F506 I509 Y513 P514 I520 D521F506-R517 HydrophobicContact CE2-CG 4.29Å; F506-R517 HydrophobicContact CZ-CG 3.98Å; I509-R517 HydrophobicContact CD1-CB 4.15Å; I509-R517 HydrophobicContact CD1-CG 4.04Å; I509-R517 HydrophobicContact CG2-CB 4.06Å; Y513-R517 PolarHBondContact O-N 3.45Å; P514-R517 WeakPolarHBondContact O-CB 3.38Å; P514-R517 PolarHBondContact O-N 3.02Å; P514-R517 VanDerWaalsContact O-N 3.12Å; R517-I520 PolarHBondContact O-N 2.77Å; R517-D521 WeakPolarHBondContact O-CB 3.42Å; R517-D521 PolarHBondContact O-N 3.21Å
518E92.8Very high90.6Very high65 Ų6559.7 Ų59.730%0.30428%0.283SS..Hα-helixtrans-60.1-48174.5-160.6-166.1142.700111.4P514 E515 I520 D521 R522 R558P514-E518 PolarHBondContact O-N 3.31Å; E515-E518 PolarHBondContact O-N 2.96Å; E518-I520 PolarHBondContact O-N 3.02Å; E518-D521 WeakPolarHBondContact O-CB 3.44Å; E518-D521 PolarHBondContact O-N 3.46Å; E518-R522 VanDerWaalsContact CD-NH1 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 3.44Å; E518-R522 IonicContact OE1-CZ 3.95Å; E518-R522 IonicContact OE1-NH1 3.97Å; E518-R522 PolarHBondContact OE1-NH1 3.2Å; E518-R558 IonicContact OE1-NH2 2.72Å; E518-R558 PolarHBondContact OE1-NH2 2.85Å; E518-R558 VanDerWaalsContact OE1-NH2 3.12Å; E518-R558 IonicContact OE2-NH2 3.74Å; E518-R558 PolarHBondContact OE2-NH2 2.83Å
519I94.7Very high90.4Very high0 Ų060.2 Ų60.20%029%0.291CS..Hα-helixtrans-61.3-46178.5-71.1161.8000111.8L474 E515 I516 D521 C523 L537 F542 F543L474-I519 HydrophobicContact CD2-CG2 3.74Å; E515-I519 WeakPolarHBondContact O-CB 3.39Å; E515-I519 WeakPolarHBondContact O-CD1 3.45Å; E515-I519 WeakPolarHBondContact O-CG1 3.48Å; E515-I519 PolarHBondContact O-N 3.31Å; I516-I519 PolarHBondContact O-N 2.95Å; I519-D521 VanDerWaalsContact C-N 3.35Å; I519-C523 PolarHBondContact O-N 2.92Å; I519-C523 VanDerWaalsContact O-N 3.16Å; I519-C523 PolarHBondContact O-SG 3.22Å; I519-L537 HydrophobicContact CG2-CD2 4.15Å; I519-F542 HydrophobicContact CD1-CB 3.47Å; I519-F542 VanDerWaalsContact CD1-CB 3.47Å; I519-F542 HydrophobicContact CD1-CD1 3.69Å; I519-F542 HydrophobicContact CD1-CG 3.72Å; I519-F543 HydrophobicContact CD1-CE2 3.94Å; I519-F543 HydrophobicContact CD1-CZ 4.31Å; I519-F543 HydrophobicContact CG2-CE2 3.81Å; I519-F543 HydrophobicContact CG2-CZ 3.98Å
520I96.4Very high90.2Very high0 Ų062.6 Ų62.60%030%0.302CS..Hα-helixtrans-61.4-46.1176.6-67.1165.4000109.7L474 L475 F506 I509 I516 R517 E518 R522 C523 I524L474-I520 HydrophobicContact CB-CG1 4.19Å; L474-I520 HydrophobicContact CD2-CD1 4.42Å; L474-I520 HydrophobicContact CD2-CG1 3.67Å; L474-I520 HydrophobicContact CG-CD1 3.99Å; L474-I520 HydrophobicContact CG-CG1 3.68Å; L475-I520 HydrophobicContact CB-CD1 4.17Å; L475-I520 HydrophobicContact CB-CG2 4.37Å; L475-I520 HydrophobicContact CD1-CD1 4.24Å; F506-I520 HydrophobicContact CD2-CG2 3.85Å; F506-I520 HydrophobicContact CE2-CB 4.22Å; F506-I520 HydrophobicContact CE2-CG2 3.81Å; I509-I520 HydrophobicContact CD1-CD1 3.69Å; I509-I520 HydrophobicContact CG1-CD1 4.36Å; I516-I520 HydrophobicContact CG2-CD1 3.79Å; I516-I520 HydrophobicContact CG2-CG1 4.4Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.42Å; I516-I520 PolarHBondContact O-N 2.83Å; R517-I520 PolarHBondContact O-N 2.77Å; E518-I520 PolarHBondContact O-N 3.02Å; I520-R522 PolarHBondContact O-N 2.82Å; I520-C523 WeakPolarHBondContact O-CA 3.48Å; I520-C523 WeakPolarHBondContact O-CB 3.16Å; I520-C523 PolarHBondContact O-N 2.87Å; I520-I524 HydrophobicContact CG2-CD1 3.97Å; I520-I524 HydrophobicContact CG2-CG1 4.34Å; I520-I524 HydrophobicContact CG2-CG2 4.26Å; I520-I524 WeakPolarHBondContact O-CG1 3.25Å; I520-I524 PolarHBondContact O-N 2.82Å
521D94.9Very high90.5Very high40 Ų4061.2 Ų61.221%0.21429%0.291CS..Hα-helixtrans-54.4-52.3179.5-163.794000111.7K502 F506 R517 E518 I519 C523 I524 R525K502-D521 IonicContact NZ-OD1 2.7Å; K502-D521 PolarHBondContact NZ-OD1 3.27Å; K502-D521 IonicContact NZ-OD2 3.21Å; F506-D521 HydrophobicContact CE2-CB 4.36Å; F506-D521 HydrophobicContact CZ-CB 4.04Å; F506-D521 WeakPolarHBondContact CZ-OD1 3.47Å; R517-D521 WeakPolarHBondContact O-CB 3.42Å; R517-D521 PolarHBondContact O-N 3.21Å; E518-D521 WeakPolarHBondContact O-CB 3.44Å; E518-D521 PolarHBondContact O-N 3.46Å; I519-D521 VanDerWaalsContact C-N 3.35Å; D521-C523 PolarHBondContact O-N 2.66Å; D521-C523 VanDerWaalsContact O-N 3.16Å; D521-I524 PolarHBondContact O-N 3.03Å; D521-R525 VanDerWaalsContact O-CG 3.25Å; D521-R525 WeakPolarHBondContact O-CG 3.36Å; D521-R525 PolarHBondContact O-N 2.69Å; D521-R525 IonicContact OD2-NE 2.8Å
522R94.5Very high90.8Very high44 Ų4457.4 Ų57.417%0.16626%0.259CS..Hα-helixtrans-67.8-9.9177.6-57.2-178.3-32.8-126.6-2.8113.7E518 I520 R531 S532 D540E518-R522 VanDerWaalsContact CD-NH1 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 3.44Å; E518-R522 IonicContact OE1-CZ 3.95Å; E518-R522 IonicContact OE1-NH1 3.97Å; E518-R522 PolarHBondContact OE1-NH1 3.2Å; I520-R522 PolarHBondContact O-N 2.82Å; R522-R531 CarbonylContact O-C 3.6Å; R522-R531 VanDerWaalsContact O-CA 3.27Å; R522-R531 WeakPolarHBondContact O-CA 3.4Å; R522-S532 WeakPolarHBondContact CB-OG 3.36Å; R522-S532 PolarHBondContact NE-OG 2.96Å; R522-S532 PolarHBondContact O-N 3.15Å; R522-D540 IonicContact CZ-OD2 3.52Å; R522-D540 IonicContact NH1-OD2 3.43Å; R522-D540 IonicContact NH2-OD2 2.76Å; R522-D540 PolarHBondContact NH2-OD2 3.14Å
523C96.6Very high91.4Very high0 Ų054.7 Ų54.70%025%0.251CS..Hα-helixtrans-92.5-37.9170.6-65.70000112.5V467 Y468 I519 I520 D521 R531V467-C523 HydrophobicContact CG1-CB 4.2Å; Y468-C523 WeakPolarHBondContact CA-O 3.14Å; I519-C523 PolarHBondContact O-N 2.92Å; I519-C523 VanDerWaalsContact O-N 3.16Å; I519-C523 PolarHBondContact O-SG 3.22Å; I520-C523 WeakPolarHBondContact O-CA 3.48Å; I520-C523 WeakPolarHBondContact O-CB 3.16Å; I520-C523 PolarHBondContact O-N 2.87Å; D521-C523 PolarHBondContact O-N 2.66Å; D521-C523 VanDerWaalsContact O-N 3.16Å; C523-R531 WeakPolarHBondContact O-CD 3.08Å
524I94.9Very high91.9Very high9 Ų951.6 Ų51.65%0.04624%0.24CC..SBendtrans-9818.3-171.473.2174.5000114.6Y468 M472 K502 F506 I520 D521Y468-I524 HydrophobicContact CD2-CB 4.19Å; Y468-I524 HydrophobicContact CD2-CG2 4.5Å; Y468-I524 HydrophobicContact CE2-CB 4.09Å; M472-I524 HydrophobicContact CE-CB 4.18Å; M472-I524 HydrophobicContact CE-CD1 4.33Å; M472-I524 HydrophobicContact CE-CG2 3.93Å; M472-I524 HydrophobicContact CG-CG2 4.36Å; M472-I524 HydrophobicContact SD-CG2 4.13Å; K502-I524 HydrophobicContact CB-CD1 4.43Å; K502-I524 HydrophobicContact CD-CD1 4.32Å; K502-I524 HydrophobicContact CG-CD1 4Å; F506-I524 HydrophobicContact CD2-CD1 4.04Å; F506-I524 HydrophobicContact CE2-CD1 4.29Å; I520-I524 HydrophobicContact CG2-CD1 3.97Å; I520-I524 HydrophobicContact CG2-CG1 4.34Å; I520-I524 HydrophobicContact CG2-CG2 4.26Å; I520-I524 WeakPolarHBondContact O-CG1 3.25Å; I520-I524 PolarHBondContact O-N 2.82Å; D521-I524 PolarHBondContact O-N 3.03Å
525R93.4Very high92.2Very high63 Ų6354.8 Ų54.824%0.23825%0.245CC..  trans-62.2145.4175.3-62-170.9174.1172.9-17.4111.6D521 E530 R531D521-R525 VanDerWaalsContact O-CG 3.25Å; D521-R525 WeakPolarHBondContact O-CG 3.36Å; D521-R525 PolarHBondContact O-N 2.69Å; D521-R525 IonicContact OD2-NE 2.8Å; R525-E530 HydrophobicContact CB-CB 4.34Å; R525-E530 WeakPolarHBondContact CD-O 3.46Å; R525-E530 PolarHBondContact NH1-O 2.82Å; R525-R531 HydrophobicContact CB-CG 4.18Å; R525-R531 PolarHBondContact O-NE 2.92Å; R525-R531 PolarHBondContact O-NH2 2.98Å
526V88.2Confident92.5Very high58 Ų5857.4 Ų57.435%0.35226%0.257SS..SBendtrans-62.7-58-177.8-175.80000110.4P454 R528 R531P454-V526 HydrophobicContact CG-CG1 4.13Å; P454-V526 WeakPolarHBondContact CG-O 3.42Å; V526-R528 PolarHBondContact O-N 3.02Å; V526-R531 PolarHBondContact O-NH2 3.1Å
527R85.4Confident92.6Very high147 Ų14757.4 Ų57.456%0.55526%0.257SS*.SBendtrans-66.2128.8175.2-55.2-173.5-172.2112.60.3109.4E529 E530R527-E529 VanDerWaalsContact C-N 3.32Å; R527-E529 PolarHBondContact O-N 2.76Å; R527-E530 HydrophobicContact CB-CB 4.4Å; R527-E530 HydrophobicContact CB-CG 3.96Å; R527-E530 WeakPolarHBondContact CD-OE1 3.45Å; R527-E530 IonicContact CZ-OE1 2.83Å; R527-E530 IonicContact NE-OE1 3.77Å; R527-E530 IonicContact NH1-OE1 2.68Å; R527-E530 PolarHBondContact NH1-OE1 2.72Å; R527-E530 IonicContact NH1-OE2 3.37Å; R527-E530 PolarHBondContact O-N 2.67Å
528R88.1Confident92.5Very high88 Ų8853.2 Ų53.233%0.33225%0.245SC..G310 helixtrans-68.8-33.1-178.561.5175.4-176.9-162-4.4112.5M460 S464 V526 E530 R531M460-R528 PolarHBondContact O-NH1 3.35Å; S464-R528 WeakPolarHBondContact OG-CB 3.44Å; V526-R528 PolarHBondContact O-N 3.02Å; R528-E530 PolarHBondContact O-N 3.11Å; R528-R531 WeakPolarHBondContact O-CB 3.29Å; R528-R531 PolarHBondContact O-N 2.86Å; R528-R531 VanDerWaalsContact O-N 3.13Å
529E88Confident92.1Very high132 Ų13254.8 Ų54.862%0.61726%0.259SS*.G310 helixtrans-65.1-23.9-179.4-63.673.2-161.500112.3R527R527-E529 VanDerWaalsContact C-N 3.32Å; R527-E529 PolarHBondContact O-N 2.76Å
530E89.2Confident91.6Very high63 Ų6356.1 Ų56.129%0.29427%0.266SS..G310 helixtrans-87.5-6.3178.9-63.1179.1162.400113.1R525 R527 R528R525-E530 HydrophobicContact CB-CB 4.34Å; R525-E530 WeakPolarHBondContact CD-O 3.46Å; R525-E530 PolarHBondContact NH1-O 2.82Å; R527-E530 HydrophobicContact CB-CB 4.4Å; R527-E530 HydrophobicContact CB-CG 3.96Å; R527-E530 WeakPolarHBondContact CD-OE1 3.45Å; R527-E530 IonicContact CZ-OE1 2.83Å; R527-E530 IonicContact NE-OE1 3.77Å; R527-E530 IonicContact NH1-OE1 2.68Å; R527-E530 PolarHBondContact NH1-OE1 2.72Å; R527-E530 IonicContact NH1-OE2 3.37Å; R527-E530 PolarHBondContact O-N 2.67Å; R528-E530 PolarHBondContact O-N 3.11Å
531R94.1Very high90.7Very high13 Ų1358.2 Ų58.25%0.04928%0.277CS..SBendtrans-81.5145.2-175.7-59.9178.4-165.2147.512.9112E455 S464 V467 R522 C523 R525 V526 R528 T533E455-R531 IonicContact OE1-CZ 2.74Å; E455-R531 IonicContact OE1-NH1 2.66Å; E455-R531 PolarHBondContact OE1-NH1 2.95Å; E455-R531 IonicContact OE1-NH2 3.99Å; E455-R531 PolarHBondContact OE1-NH2 2.88Å; E455-R531 IonicContact OE2-CZ 2.75Å; E455-R531 IonicContact OE2-NH1 2.78Å; E455-R531 IonicContact OE2-NH2 3.72Å; E455-R531 PolarHBondContact OE2-NH2 3.17Å; S464-R531 PolarHBondContact O-NH1 2.98Å; S464-R531 PolarHBondContact OG-NH1 3.32Å; V467-R531 HydrophobicContact CG1-CB 4.23Å; R522-R531 CarbonylContact O-C 3.6Å; R522-R531 VanDerWaalsContact O-CA 3.27Å; R522-R531 WeakPolarHBondContact O-CA 3.4Å; C523-R531 WeakPolarHBondContact O-CD 3.08Å; R525-R531 HydrophobicContact CB-CG 4.18Å; R525-R531 PolarHBondContact O-NE 2.92Å; R525-R531 PolarHBondContact O-NH2 2.98Å; V526-R531 PolarHBondContact O-NH2 3.1Å; R528-R531 WeakPolarHBondContact O-CB 3.29Å; R528-R531 PolarHBondContact O-N 2.86Å; R528-R531 VanDerWaalsContact O-N 3.13Å; R531-T533 PolarHBondContact O-N 2.89Å
532S92.3Very high90.1Very high15 Ų1556.6 Ų56.611%0.10527%0.268CS..PPolyproline II helixtrans-67118.5174.5-67.40000111.5V467 R522V467-S532 WeakPolarHBondContact CG1-O 3.4Å; R522-S532 WeakPolarHBondContact CB-OG 3.36Å; R522-S532 PolarHBondContact NE-OG 2.96Å; R522-S532 PolarHBondContact O-N 3.15Å
533T93.8Very high89.6Confident70 Ų7054.6 Ų54.643%0.42926%0.261SS..PPolyproline II helixtrans-60.5153.3174.264.70000111.6R531 K535 Q536 L537R531-T533 PolarHBondContact O-N 2.89Å; T533-K535 PolarHBondContact O-N 3.07Å; T533-K535 VanDerWaalsContact O-N 3.08Å; T533-Q536 PolarHBondContact O-N 2.72Å; T533-Q536 VanDerWaalsContact OG1-CD 3.3Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.07Å; T533-Q536 PolarHBondContact OG1-N 3.36Å; T533-Q536 PolarHBondContact OG1-OE1 3.06Å; T533-L537 PolarHBondContact O-N 2.68Å
534V95.2Very high88.3Confident9 Ų956.6 Ų56.66%0.05527%0.273CS..Hα-helixtrans-55.9-29.7175.9-176.50000112.2L394 L397 V467 L538L394-V534 HydrophobicContact CB-CG1 4.32Å; L394-V534 HydrophobicContact CD2-CG1 4.05Å; L394-V534 WeakPolarHBondContact O-CG1 3.29Å; L397-V534 HydrophobicContact CB-CG1 4.19Å; L397-V534 HydrophobicContact CB-CG2 4.2Å; V467-V534 HydrophobicContact CG2-CG2 3.71Å; V534-L538 HydrophobicContact CG1-CD1 4.25Å; V534-L538 WeakPolarHBondContact O-CB 3.47Å; V534-L538 WeakPolarHBondContact O-CG 3.21Å; V534-L538 PolarHBondContact O-N 3.14Å
535K92.3Very high86.8Confident151 Ų15158.2 Ų58.266%0.65728%0.284SS*.Hα-helixtrans-66.5-46.1173.7-68.2-179.2-177.8174.20112.2T533 L538 V539T533-K535 PolarHBondContact O-N 3.07Å; T533-K535 VanDerWaalsContact O-N 3.08Å; K535-L538 PolarHBondContact O-N 2.79Å; K535-V539 WeakPolarHBondContact O-CG2 3.22Å; K535-V539 PolarHBondContact O-N 3.23Å
536Q91.9Very high85.1Confident100 Ų10058.6 Ų58.647%0.46729%0.289SS..Hα-helixtrans-64.2-44175.6-72.6155.2-40.200110.9T533 L538 V539 D540T533-Q536 PolarHBondContact O-N 2.72Å; T533-Q536 VanDerWaalsContact OG1-CD 3.3Å; T533-Q536 WeakPolarHBondContact OG1-CG 3.07Å; T533-Q536 PolarHBondContact OG1-N 3.36Å; T533-Q536 PolarHBondContact OG1-OE1 3.06Å; Q536-L538 VanDerWaalsContact C-N 3.27Å; Q536-L538 PolarHBondContact O-N 3.37Å; Q536-V539 PolarHBondContact O-N 3.11Å; Q536-D540 PolarHBondContact O-N 3.45Å
537L94.1Very high83.4Confident0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-63-29.2176.9-66.2172.5000113.3L394 V467 F470 I519 T533 V539 F543L394-L537 HydrophobicContact CD1-CB 3.87Å; L394-L537 HydrophobicContact CD2-CB 3.82Å; L394-L537 HydrophobicContact CD2-CD1 3.82Å; L394-L537 HydrophobicContact CD2-CG 4.49Å; V467-L537 HydrophobicContact CG1-CD1 4.24Å; F470-L537 HydrophobicContact CD1-CD1 4.15Å; F470-L537 HydrophobicContact CE1-CD1 4.17Å; I519-L537 HydrophobicContact CG2-CD2 4.15Å; T533-L537 PolarHBondContact O-N 2.68Å; L537-V539 VanDerWaalsContact C-N 3.3Å; L537-F543 WeakPolarHBondContact O-CD2 3.29Å
538L90.8Very high81.8Confident51 Ų5161.3 Ų61.327%0.26731%0.311SS..THydrogen-bonded Turntrans-76.9-13.8174.3-79.5172.2000114.3L394 K395 V534 K535 Q536L394-L538 HydrophobicContact CB-CD2 3.56Å; L394-L538 HydrophobicContact CB-CG 3.91Å; L394-L538 HydrophobicContact CD1-CD2 4.5Å; K395-L538 HydrophobicContact CG-CD2 3.97Å; V534-L538 HydrophobicContact CG1-CD1 4.25Å; V534-L538 WeakPolarHBondContact O-CB 3.47Å; V534-L538 WeakPolarHBondContact O-CG 3.21Å; V534-L538 PolarHBondContact O-N 3.14Å; K535-L538 PolarHBondContact O-N 2.79Å; Q536-L538 VanDerWaalsContact C-N 3.27Å; Q536-L538 PolarHBondContact O-N 3.37Å
539V84.8Confident80.3Confident98 Ų9858.3 Ų58.359%0.59430%0.302SS*.THydrogen-bonded Turntrans-101.6-20.6178.5176.40000111.9K535 Q536 L537 D541K535-V539 WeakPolarHBondContact O-CG2 3.22Å; K535-V539 PolarHBondContact O-N 3.23Å; Q536-V539 PolarHBondContact O-N 3.11Å; L537-V539 VanDerWaalsContact C-N 3.3Å; V539-D541 PolarHBondContact O-N 3.35Å
540D84.4Confident79.2Confident28 Ų2852.7 Ų52.715%0.1528%0.279CS..SBendtrans-51.9131176.2-173.3-61.6000112.6R522 Q536 F542 F543 T544R522-D540 IonicContact CZ-OD2 3.52Å; R522-D540 IonicContact NH1-OD2 3.43Å; R522-D540 IonicContact NH2-OD2 2.76Å; R522-D540 PolarHBondContact NH2-OD2 3.14Å; Q536-D540 PolarHBondContact O-N 3.45Å; D540-F542 PolarHBondContact O-N 3.14Å; D540-F542 VanDerWaalsContact O-N 3.09Å; D540-F542 VanDerWaalsContact OD1-CB 3.28Å; D540-F542 WeakPolarHBondContact OD1-CB 3.45Å; D540-F542 PolarHBondContact OD1-N 3.34Å; D540-F543 HydrophobicContact CB-CD2 4.23Å; D540-F543 PolarHBondContact O-N 3.31Å; D540-T544 PolarHBondContact O-N 3.23Å
541D78.2Confident78.5Confident44 Ų4450.3 Ų50.324%0.23527%0.268CS..G310 helixtrans-49.1-38.1-177.2-63.9-90.2000113.7V539 F543 T544 K631V539-D541 PolarHBondContact O-N 3.35Å; D541-F543 PolarHBondContact O-N 3.21Å; D541-T544 PolarHBondContact O-N 3.24Å; D541-T544 VanDerWaalsContact O-N 3.14Å; D541-T544 PolarHBondContact O-OG1 3.46Å; D541-K631 VanDerWaalsContact CG-CE 3.42Å; D541-K631 WeakPolarHBondContact OD1-CE 3.32Å; D541-K631 IonicContact OD1-NZ 3.73Å; D541-K631 PolarHBondContact OD1-NZ 2.89Å; D541-K631 WeakPolarHBondContact OD2-CE 3.21Å; D541-K631 IonicContact OD2-NZ 3.6Å; D541-K631 PolarHBondContact OD2-NZ 3.26Å
542F82.1Confident77.8Confident6 Ų654.2 Ų54.23%0.02628%0.283CS..G310 helixtrans-61.8-33.7-178179.4-100.8000112.1I383 K387 E515 I516 I519 D540I383-F542 HydrophobicContact CD1-CE2 3.87Å; I383-F542 HydrophobicContact CD1-CZ 3.73Å; K387-F542 HydrophobicContact CD-CD2 4.48Å; K387-F542 HydrophobicContact CD-CE2 4.24Å; K387-F542 HydrophobicContact CD-CZ 4.31Å; K387-F542 VanDerWaalsContact CD-O 3.25Å; K387-F542 WeakPolarHBondContact CD-O 3.26Å; K387-F542 VanDerWaalsContact CE-O 3.23Å; K387-F542 WeakPolarHBondContact CE-O 3.2Å; K387-F542 HydrophobicContact CG-CD1 4.24Å; K387-F542 HydrophobicContact CG-CD2 4.47Å; K387-F542 HydrophobicContact CG-CE1 3.72Å; K387-F542 HydrophobicContact CG-CE2 4Å; K387-F542 HydrophobicContact CG-CZ 3.57Å; K387-F542 WeakPolarHBondContact CG-O 3.26Å; E515-F542 HydrophobicContact CG-CB 4.2Å; E515-F542 HydrophobicContact CG-CD2 3.35Å; E515-F542 HydrophobicContact CG-CE2 4.02Å; E515-F542 HydrophobicContact CG-CG 4.04Å; E515-F542 WeakPolarHBondContact OE1-CD2 3.4Å; I516-F542 HydrophobicContact CD1-CE1 4.47Å; I516-F542 HydrophobicContact CD1-CE2 3.78Å; I516-F542 HydrophobicContact CD1-CZ 3.5Å; I516-F542 VanDerWaalsContact CD1-CZ 3.5Å; I516-F542 HydrophobicContact CG1-CD2 4.25Å; I516-F542 HydrophobicContact CG1-CE1 4.06Å; I516-F542 HydrophobicContact CG1-CE2 3.45Å; I516-F542 VanDerWaalsContact CG1-CE2 3.45Å; I516-F542 HydrophobicContact CG1-CZ 3.36Å; I519-F542 HydrophobicContact CD1-CB 3.47Å; I519-F542 VanDerWaalsContact CD1-CB 3.47Å; I519-F542 HydrophobicContact CD1-CD1 3.69Å; I519-F542 HydrophobicContact CD1-CG 3.72Å; D540-F542 PolarHBondContact O-N 3.14Å; D540-F542 VanDerWaalsContact O-N 3.09Å; D540-F542 VanDerWaalsContact OD1-CB 3.28Å; D540-F542 WeakPolarHBondContact OD1-CB 3.45Å; D540-F542 PolarHBondContact OD1-N 3.34Å
543F83.1Confident77.5Confident2 Ų253.6 Ų53.61%0.00928%0.278CS..G310 helixtrans-93.8-5.1178.2-59.6-61.3000113.5C390 R391 L394 F470 L474 I519 L537 D540 D541C390-F543 HydrophobicContact CB-CD1 3.86Å; C390-F543 HydrophobicContact CB-CE1 3.25Å; C390-F543 HydrophobicContact CB-CZ 4.08Å; R391-F543 WeakPolarHBondContact CD-O 3.48Å; R391-F543 PolarHBondContact NH1-O 2.75Å; L394-F543 HydrophobicContact CD1-CD2 3.93Å; L394-F543 HydrophobicContact CD1-CE2 3.96Å; L394-F543 HydrophobicContact CD1-CG 4.18Å; L394-F543 HydrophobicContact CD1-CZ 4.3Å; F470-F543 HydrophobicContact CE1-CZ 4.41Å; F470-F543 AromaticContact CZ-CZ 3.95Å; F470-F543 HydrophobicContact CZ-CZ 3.95Å; L474-F543 HydrophobicContact CD2-CZ 4.31Å; I519-F543 HydrophobicContact CD1-CE2 3.94Å; I519-F543 HydrophobicContact CD1-CZ 4.31Å; I519-F543 HydrophobicContact CG2-CE2 3.81Å; I519-F543 HydrophobicContact CG2-CZ 3.98Å; L537-F543 WeakPolarHBondContact O-CD2 3.29Å; D540-F543 HydrophobicContact CB-CD2 4.23Å; D540-F543 PolarHBondContact O-N 3.31Å; D541-F543 PolarHBondContact O-N 3.21Å
544T70.7Confident77.1Confident42 Ų4251.8 Ų51.826%0.25827%0.265SS..SBendtrans-61.1143.5169.3680000110.7R391 D540 D541 E546R391-T544 PolarHBondContact NH1-O 3.25Å; D540-T544 PolarHBondContact O-N 3.23Å; D541-T544 PolarHBondContact O-N 3.24Å; D541-T544 VanDerWaalsContact O-N 3.14Å; D541-T544 PolarHBondContact O-OG1 3.46Å; T544-E546 PolarHBondContact O-N 3.49Å
545P63.3Low76.9Confident42 Ų4252.4 Ų52.427%0.27327%0.268SS..  trans-75.8110.8179.5-14.830.6000111.5D547 L548P545-D547 PolarHBondContact O-N 3.11Å; P545-D547 VanDerWaalsContact O-N 3.11Å; P545-L548 HydrophobicContact CB-CB 4.44Å; P545-L548 HydrophobicContact CB-CD1 4.12Å; P545-L548 HydrophobicContact CG-CD1 4.42Å; P545-L548 PolarHBondContact O-N 3.01Å
546E57.5Low76.6Confident72 Ų7249.4 Ų49.434%0.33626%0.255SS..G310 helixtrans-46.2-40.9171.7-63.7168.9-172.600111.8K384 K387 T544 L548 I549 G550K384-E546 IonicContact NZ-OE2 3.86Å; K384-E546 PolarHBondContact NZ-OE2 2.85Å; K387-E546 WeakPolarHBondContact CD-OE1 3.41Å; K387-E546 IonicContact NZ-OE1 2.58Å; K387-E546 PolarHBondContact NZ-OE1 3.16Å; T544-E546 PolarHBondContact O-N 3.49Å; E546-L548 VanDerWaalsContact C-N 3.25Å; E546-L548 PolarHBondContact O-N 3.23Å; E546-I549 PolarHBondContact O-N 3.32Å; E546-G550 PolarHBondContact O-N 2.84Å
547D51.9Low76.4Confident123 Ų12348.3 Ų48.366%0.65825%0.252SS*.G310 helixtrans-72.5-7.6-175.9-43.4-58.1000114.6P545P545-D547 PolarHBondContact O-N 3.11Å; P545-D547 VanDerWaalsContact O-N 3.11Å
548L51.5Low76Confident138 Ų13851.1 Ų51.172%0.72326%0.262SS*.G310 helixtrans-84.8-18.5173.3-111.876000113.2P545 E546P545-L548 HydrophobicContact CB-CB 4.44Å; P545-L548 HydrophobicContact CB-CD1 4.12Å; P545-L548 HydrophobicContact CG-CD1 4.42Å; P545-L548 PolarHBondContact O-N 3.01Å; E546-L548 VanDerWaalsContact C-N 3.25Å; E546-L548 PolarHBondContact O-N 3.23Å
549I56.6Low75.6Confident26 Ų2654.4 Ų54.413%0.13328%0.28CS..THydrogen-bonded Turntrans-128.3-48.4-162.8-50.7-173.6000110.7E546 I551 K580 M623 L627E546-I549 PolarHBondContact O-N 3.32Å; I549-I551 HydrophobicContact CG2-CB 3.73Å; I549-I551 HydrophobicContact CG2-CD1 4.22Å; I549-I551 HydrophobicContact CG2-CG1 4.42Å; I549-I551 WeakPolarHBondContact CG2-O 3.13Å; I549-I551 WeakPolarHBondContact O-CD1 3.36Å; I549-I551 PolarHBondContact O-N 2.99Å; I549-K580 WeakPolarHBondContact O-CD 3.45Å; I549-K580 WeakPolarHBondContact O-CE 3.15Å; I549-K580 PolarHBondContact O-NZ 2.85Å; I549-M623 HydrophobicContact CB-CE 4.33Å; I549-M623 HydrophobicContact CB-SD 3.9Å; I549-M623 HydrophobicContact CD1-CG 4.47Å; I549-M623 HydrophobicContact CG1-CG 4.36Å; I549-M623 HydrophobicContact CG1-SD 3.84Å; I549-M623 HydrophobicContact CG2-CE 3.5Å; I549-M623 HydrophobicContact CG2-CG 4.04Å; I549-M623 HydrophobicContact CG2-SD 3.54Å; I549-M623 VanDerWaalsContact CG2-SD 3.54Å; I549-L627 HydrophobicContact CD1-CD1 4.21Å; I549-L627 HydrophobicContact CD1-CD2 4.02Å; I549-L627 HydrophobicContact CD1-CG 4.39Å; I549-L627 HydrophobicContact CG2-CD1 3.84Å
550G64.6Low75.6Confident13 Ų1352 Ų5213%0.13427%0.271CS..SBendtrans70.74.9-171.100000114.3E546 Y576 D577E546-G550 PolarHBondContact O-N 2.84Å; G550-Y576 PolarHBondContact O-N 3.11Å; G550-D577 PolarHBondContact O-N 3.25Å; G550-D577 VanDerWaalsContact O-N 3.1Å
551I75.7Confident75.8Confident13 Ų1351.1 Ų51.17%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-134.8151.3-172.7-56141.6000108.5I549 L573 R574 V575 K580 Y584 D620 M623 I624I549-I551 HydrophobicContact CG2-CB 3.73Å; I549-I551 HydrophobicContact CG2-CD1 4.22Å; I549-I551 HydrophobicContact CG2-CG1 4.42Å; I549-I551 WeakPolarHBondContact CG2-O 3.13Å; I549-I551 WeakPolarHBondContact O-CD1 3.36Å; I549-I551 PolarHBondContact O-N 2.99Å; I551-L573 HydrophobicContact CG2-CD1 3.4Å; I551-L573 HydrophobicContact CG2-CG 3.99Å; I551-R574 CarbonylContact C-O 3.57Å; I551-R574 VanDerWaalsContact CA-O 3.25Å; I551-R574 WeakPolarHBondContact CA-O 3.27Å; I551-V575 HydrophobicContact CG1-CB 4.47Å; I551-V575 HydrophobicContact CG1-CG1 4.39Å; I551-V575 HydrophobicContact CG1-CG2 3.92Å; I551-V575 HydrophobicContact CG2-CG2 4.48Å; I551-K580 HydrophobicContact CD1-CD 4.06Å; I551-K580 HydrophobicContact CG1-CD 4.47Å; I551-Y584 HydrophobicContact CD1-CE2 4.18Å; I551-Y584 WeakPolarHBondContact CD1-OH 3.24Å; I551-D620 WeakPolarHBondContact CD1-OD2 3.49Å; I551-M623 HydrophobicContact CD1-CE 3.68Å; I551-I624 HydrophobicContact CD1-CD1 4.37Å
552R78.2Confident76.2Confident95 Ų9550.4 Ų50.436%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-135.4144.3176.3-170.2-179.7-177.3-153.411.2109.9E554 L573 R574 Y576R552-E554 WeakPolarHBondContact CD-OE1 3.5Å; R552-E554 HydrophobicContact CG-CG 4.12Å; R552-E554 IonicContact CZ-OE1 3.58Å; R552-E554 IonicContact NE-OE1 3.51Å; R552-E554 IonicContact NH1-OE1 3.83Å; R552-E554 PolarHBondContact NH1-OE1 3.08Å; R552-E554 IonicContact NH1-OE2 3.29Å; R552-L573 CarbonylContact O-C 3.47Å; R552-L573 WeakPolarHBondContact O-CA 3.4Å; R552-R574 PolarHBondContact N-O 3.25Å; R552-R574 PolarHBondContact O-N 2.62Å; R552-Y576 HydrophobicContact CB-CD2 4.27Å; R552-Y576 HydrophobicContact CB-CE2 3.84Å
553V86.7Confident76.3Confident2 Ų254.1 Ų54.11%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-106.8136.6163.6-179.90000108.4M571 Q572 L573 F594 L627 I628 K631V553-M571 HydrophobicContact CG1-CE 3.77Å; V553-Q572 CarbonylContact C-O 3.6Å; V553-Q572 WeakPolarHBondContact CA-O 3.31Å; V553-L573 HydrophobicContact CG2-CD1 3.6Å; V553-F594 HydrophobicContact CG1-CZ 4.47Å; V553-L627 HydrophobicContact CB-CB 4.32Å; V553-L627 HydrophobicContact CG2-CB 3.71Å; V553-L627 HydrophobicContact CG2-CD1 4.42Å; V553-I628 HydrophobicContact CG1-CG1 4.4Å; V553-I628 HydrophobicContact CG2-CG1 4.13Å; V553-K631 HydrophobicContact CB-CG 4.29Å; V553-K631 HydrophobicContact CG1-CG 4.13Å; V553-K631 WeakPolarHBondContact O-CE 3.47Å
554E86.3Confident76.4Confident32 Ų3259.5 Ų59.515%0.1531%0.311CS..EExtended strand (participates in β ladder)trans-128152.1176.5-66.8173.4-142.700109.2R552 M571 Q572 R574R552-E554 WeakPolarHBondContact CD-OE1 3.5Å; R552-E554 HydrophobicContact CG-CG 4.12Å; R552-E554 IonicContact CZ-OE1 3.58Å; R552-E554 IonicContact NE-OE1 3.51Å; R552-E554 IonicContact NH1-OE1 3.83Å; R552-E554 PolarHBondContact NH1-OE1 3.08Å; R552-E554 IonicContact NH1-OE2 3.29Å; E554-M571 CarbonylContact O-C 3.49Å; E554-M571 VanDerWaalsContact O-CA 3.29Å; E554-M571 WeakPolarHBondContact O-CA 3.36Å; E554-Q572 PolarHBondContact N-O 2.85Å; E554-Q572 PolarHBondContact O-N 3.36Å; E554-R574 IonicContact OE1-CZ 2.7Å; E554-R574 IonicContact OE1-NE 3.26Å; E554-R574 IonicContact OE1-NH1 2.68Å; E554-R574 PolarHBondContact OE1-NH1 2.9Å; E554-R574 IonicContact OE2-CZ 3.26Å; E554-R574 VanDerWaalsContact OE2-CZ 3.26Å; E554-R574 IonicContact OE2-NH1 3.19Å; E554-R574 PolarHBondContact OE2-NH1 3.06Å; E554-R574 IonicContact OE2-NH2 3.76Å
555I90Very high77.2Confident22 Ų2260.1 Ų60.111%0.11331%0.313CS..EExtended strand (participates in β ladder)trans-102.4122166.6-59.7169.5000105.6R558 I569 Q570 M571 F635I555-R558 HydrophobicContact CB-CB 4.29Å; I555-R558 HydrophobicContact CG2-CB 4.2Å; I555-I569 HydrophobicContact CD1-CD1 3.84Å; I555-I569 HydrophobicContact CG1-CD1 4.23Å; I555-I569 HydrophobicContact CG2-CB 4.28Å; I555-Q570 CarbonylContact C-O 3.52Å; I555-M571 HydrophobicContact CD1-CE 4.48Å; I555-M571 HydrophobicContact CG1-CE 4.01Å; I555-M571 HydrophobicContact CG1-CG 4.44Å; I555-F635 HydrophobicContact CD1-CB 3.87Å; I555-F635 HydrophobicContact CD1-CD2 3.69Å; I555-F635 HydrophobicContact CD1-CG 4.07Å
556K86.8Confident78.3Confident89 Ų8960.8 Ų60.839%0.38731%0.314SS..THydrogen-bonded Turntrans-67.6-47.2-168.9-81.9-165.6166.9-166.80113Q570 Q572K556-Q570 HydrophobicContact CB-CB 4.41Å; K556-Q570 PolarHBondContact N-O 2.94Å; K556-Q572 VanDerWaalsContact CE-OE1 3.27Å; K556-Q572 HydrophobicContact CG-CB 4.23Å
557N86.5Confident79.8Confident76 Ų7659.8 Ų59.841%0.40631%0.313SS..THydrogen-bonded Turntrans-109.727.7-171.4-59.7-12000111.7D559 A560 D561N557-D559 PolarHBondContact O-N 2.82Å; N557-A560 HydrophobicContact CB-CB 4.47Å; N557-A560 WeakPolarHBondContact O-CA 3.31Å; N557-A560 PolarHBondContact O-N 3.31Å; N557-D561 WeakPolarHBondContact CB-OD2 3.46Å; N557-D561 PolarHBondContact O-N 3.46Å
558R85.8Confident81.7Confident59 Ų5959.8 Ų59.822%0.22331%0.309CS..Hα-helixtrans-38.3-50.1-171.2171.3172.4162.884.8-11.3113.3E518 I555 L562 F635 D638E518-R558 IonicContact OE1-NH2 2.72Å; E518-R558 PolarHBondContact OE1-NH2 2.85Å; E518-R558 VanDerWaalsContact OE1-NH2 3.12Å; E518-R558 IonicContact OE2-NH2 3.74Å; E518-R558 PolarHBondContact OE2-NH2 2.83Å; I555-R558 HydrophobicContact CB-CB 4.29Å; I555-R558 HydrophobicContact CG2-CB 4.2Å; R558-L562 WeakPolarHBondContact O-CB 3.41Å; R558-L562 PolarHBondContact O-N 2.67Å; R558-F635 HydrophobicContact CG-CE2 4.5Å; R558-D638 IonicContact CZ-OD2 3.71Å; R558-D638 IonicContact NH1-OD2 2.8Å; R558-D638 PolarHBondContact NH1-OD2 2.66Å; R558-D638 IonicContact NH2-OD2 3.43Å; R558-D638 PolarHBondContact NH2-OD2 2.94Å
559D82.9Confident83.6Confident120 Ų12053.2 Ų53.264%0.64227%0.274SS*.Hα-helixtrans-72.2-31.2-175.1-56.8-30.5000113.5N557 N563N557-D559 PolarHBondContact O-N 2.82Å; D559-N563 PolarHBondContact O-N 3.07Å; D559-N563 PolarHBondContact O-ND2 3.02Å
560A85Confident85.3Confident48 Ų4855.7 Ų55.740%0.39729%0.285SS..Hα-helixtrans-74.1-50.8172.900000110N557 L562 N563 D564N557-A560 HydrophobicContact CB-CB 4.47Å; N557-A560 WeakPolarHBondContact O-CA 3.31Å; N557-A560 PolarHBondContact O-N 3.31Å; A560-L562 PolarHBondContact O-N 3.08Å; A560-L562 VanDerWaalsContact O-N 3.14Å; A560-N563 PolarHBondContact O-N 2.91Å; A560-D564 PolarHBondContact O-N 2.96Å
561D88.3Confident86.6Confident9 Ų955.1 Ų55.15%0.04828%0.279CS..Hα-helixtrans-56.4-35179.8-60.9-34.4000112.2N557 L565 N566 I569 F635N557-D561 WeakPolarHBondContact CB-OD2 3.46Å; N557-D561 PolarHBondContact O-N 3.46Å; D561-L565 CarbonylContact O-C 3.5Å; D561-L565 WeakPolarHBondContact O-CA 3.44Å; D561-L565 PolarHBondContact O-N 3.26Å; D561-L565 VanDerWaalsContact O-N 3.13Å; D561-N566 HydrophobicContact CB-CB 4.17Å; D561-N566 PolarHBondContact O-N 3.23Å; D561-N566 PolarHBondContact OD1-ND2 3.07Å; D561-I569 HydrophobicContact CB-CG2 3.9Å; D561-F635 HydrophobicContact CB-CE2 3.94Å; D561-F635 HydrophobicContact CB-CZ 3.62Å
562L86.1Confident87.3Confident29 Ų2955.2 Ų55.215%0.15228%0.279CS..Hα-helixtrans-77.4-26.5177.9-151.381.5000113.9R558 A560 F635 D638 R639R558-L562 WeakPolarHBondContact O-CB 3.41Å; R558-L562 PolarHBondContact O-N 2.67Å; A560-L562 PolarHBondContact O-N 3.08Å; A560-L562 VanDerWaalsContact O-N 3.14Å; L562-F635 HydrophobicContact CB-CE2 4.28Å; L562-F635 HydrophobicContact CB-CZ 4.31Å; L562-F635 HydrophobicContact CD1-CD1 4.42Å; L562-F635 HydrophobicContact CD1-CD2 4Å; L562-F635 HydrophobicContact CD1-CE1 4.11Å; L562-F635 HydrophobicContact CD1-CE2 3.66Å; L562-F635 HydrophobicContact CD1-CG 4.37Å; L562-F635 HydrophobicContact CD1-CZ 3.73Å; L562-D638 HydrophobicContact CD1-CB 3.73Å; L562-D638 HydrophobicContact CD2-CB 4.07Å; L562-R639 HydrophobicContact CD1-CB 4.38Å
563N84.3Confident87.7Confident85 Ų8550.7 Ų50.746%0.45526%0.262SS..Hα-helixtrans-84.9-41.3177.7-83.8-59.5000112D559 A560 L565 R642D559-N563 PolarHBondContact O-N 3.07Å; D559-N563 PolarHBondContact O-ND2 3.02Å; A560-N563 PolarHBondContact O-N 2.91Å; N563-L565 PolarHBondContact O-N 3.47Å; N563-R642 PolarHBondContact OD1-NE 3.33Å; N563-R642 PolarHBondContact OD1-NH2 2.79Å
564D86.7Confident87.6Confident115 Ų11554.1 Ų54.162%0.61528%0.275SS*.Hα-helixtrans-78.4-9.3176.9-61.2-28.2000112.2A560 N566A560-D564 PolarHBondContact O-N 2.96Å; D564-N566 VanDerWaalsContact C-N 3.29Å; D564-N566 PolarHBondContact O-N 3.36Å
565L86.2Confident87.2Confident54 Ų5453.4 Ų53.428%0.28327%0.273SS..THydrogen-bonded Turntrans61.133.6-178.1-58.2165.2000113.1D561 N563 R639 R642 L643 I646D561-L565 CarbonylContact O-C 3.5Å; D561-L565 WeakPolarHBondContact O-CA 3.44Å; D561-L565 PolarHBondContact O-N 3.26Å; D561-L565 VanDerWaalsContact O-N 3.13Å; N563-L565 PolarHBondContact O-N 3.47Å; L565-R639 HydrophobicContact CD2-CG 3.82Å; L565-R642 HydrophobicContact CD2-CG 4.48Å; L565-L643 HydrophobicContact CD1-CD2 3.72Å; L565-L643 HydrophobicContact CD2-CD2 4.09Å; L565-L643 HydrophobicContact CD2-CG 4.07Å; L565-I646 HydrophobicContact CD1-CD1 4.42Å
566N86.5Confident86.2Confident57 Ų5758.3 Ų58.331%0.30529%0.291SS..  trans-55.4140.5-177.4-70.8-20.5000112.1D561 D564D561-N566 HydrophobicContact CB-CB 4.17Å; D561-N566 PolarHBondContact O-N 3.23Å; D561-N566 PolarHBondContact OD1-ND2 3.07Å; D564-N566 VanDerWaalsContact C-N 3.29Å; D564-N566 PolarHBondContact O-N 3.36Å
567V89.3Confident85.3Confident51 Ų5157 Ų5731%0.30929%0.288SS..SBendtrans-90.2-39.4175.1-177.80000111D597 I598 E599V567-D597 WeakPolarHBondContact CG1-OD1 3.48Å; V567-I598 VanDerWaalsContact O-CB 3.31Å; V567-I598 WeakPolarHBondContact O-CB 3.41Å; V567-I598 WeakPolarHBondContact O-CD1 3.48Å; V567-I598 VanDerWaalsContact O-CG1 3.26Å; V567-I598 WeakPolarHBondContact O-CG1 3.46Å; V567-I598 PolarHBondContact O-N 2.99Å; V567-E599 HydrophobicContact CG1-CB 4Å; V567-E599 HydrophobicContact CG1-CG 3.96Å
568E91.7Very high84.4Confident122 Ų12259.5 Ų59.557%0.5730%0.297SS*.EExtended strand (participates in β ladder)trans-86.5124.8170.7-170.8-170.8162.900109.9A595E568-A595 HydrophobicContact CG-CB 4.08Å; E568-A595 WeakPolarHBondContact OE1-CB 3.41Å
569I92.3Very high83.5Confident0 Ų065.3 Ų65.30%032%0.324CS..EExtended strand (participates in β ladder)trans-119141.7177.753.9168.1000112.5I555 D561 M571 A595 F596 I598 F635I555-I569 HydrophobicContact CD1-CD1 3.84Å; I555-I569 HydrophobicContact CG1-CD1 4.23Å; I555-I569 HydrophobicContact CG2-CB 4.28Å; D561-I569 HydrophobicContact CB-CG2 3.9Å; I569-M571 HydrophobicContact CD1-CG 4.35Å; I569-M571 HydrophobicContact CG1-CG 4.39Å; I569-M571 PolarHBondContact O-N 2.67Å; I569-A595 CarbonylContact O-C 3.58Å; I569-F596 HydrophobicContact CG1-CB 4.23Å; I569-F596 VanDerWaalsContact CG1-O 3.32Å; I569-F596 WeakPolarHBondContact CG1-O 3.44Å; I569-F596 PolarHBondContact N-O 2.66Å; I569-F596 PolarHBondContact O-N 2.9Å; I569-I598 HydrophobicContact CB-CD1 4.48Å; I569-I598 HydrophobicContact CD1-CD1 4.13Å; I569-I598 HydrophobicContact CD1-CG1 3.99Å; I569-I598 HydrophobicContact CG1-CD1 4.12Å; I569-I598 HydrophobicContact CG1-CG1 3.99Å; I569-I598 HydrophobicContact CG2-CD1 3.61Å; I569-I598 HydrophobicContact CG2-CG1 4.39Å; I569-F635 HydrophobicContact CD1-CG 4.43Å; I569-F635 HydrophobicContact CG2-CD1 4.45Å; I569-F635 HydrophobicContact CG2-CE1 3.93Å; I569-F635 HydrophobicContact CG2-CE2 4.27Å; I569-F635 HydrophobicContact CG2-CZ 3.83Å
570Q91.9Very high82.9Confident79 Ų7961.4 Ų61.437%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-88.5110.5178.2-65.1-169.97.900111.2I555 K556I555-Q570 CarbonylContact C-O 3.52Å; K556-Q570 HydrophobicContact CB-CB 4.41Å; K556-Q570 PolarHBondContact N-O 2.94Å
571M91.3Very high82.1Confident0 Ų062.6 Ų62.60%030%0.295CS..EExtended strand (participates in β ladder)trans-99.4154.7179-56.1-167.596.900111.9V553 E554 I555 I569 Q593 F594 F596 I628 K631 V632V553-M571 HydrophobicContact CG1-CE 3.77Å; E554-M571 CarbonylContact O-C 3.49Å; E554-M571 VanDerWaalsContact O-CA 3.29Å; E554-M571 WeakPolarHBondContact O-CA 3.36Å; I555-M571 HydrophobicContact CD1-CE 4.48Å; I555-M571 HydrophobicContact CG1-CE 4.01Å; I555-M571 HydrophobicContact CG1-CG 4.44Å; I569-M571 HydrophobicContact CD1-CG 4.35Å; I569-M571 HydrophobicContact CG1-CG 4.39Å; I569-M571 PolarHBondContact O-N 2.67Å; M571-Q593 WeakPolarHBondContact O-CA 3.39Å; M571-Q593 WeakPolarHBondContact O-CG 3.45Å; M571-F594 HydrophobicContact CB-CD1 4.11Å; M571-F594 HydrophobicContact CB-CD2 3.96Å; M571-F594 HydrophobicContact CB-CE1 3.66Å; M571-F594 HydrophobicContact CB-CE2 3.5Å; M571-F594 VanDerWaalsContact CB-CE2 3.5Å; M571-F594 HydrophobicContact CB-CG 4.25Å; M571-F594 HydrophobicContact CB-CZ 3.32Å; M571-F594 HydrophobicContact CG-CE2 3.95Å; M571-F594 HydrophobicContact CG-CZ 4.13Å; M571-F594 PolarHBondContact N-O 3Å; M571-F594 PolarHBondContact O-N 3Å; M571-F594 VanDerWaalsContact O-O 3.13Å; M571-F594 HydrophobicContact SD-CD2 4.5Å; M571-F594 HydrophobicContact SD-CE2 3.53Å; M571-F594 VanDerWaalsContact SD-CE2 3.53Å; M571-F594 HydrophobicContact SD-CZ 3.82Å; M571-F596 HydrophobicContact CG-CB 4.04Å; M571-F596 HydrophobicContact SD-CB 3.63Å; M571-F596 HydrophobicContact SD-CD2 4.24Å; M571-F596 HydrophobicContact SD-CG 3.98Å; M571-I628 HydrophobicContact CE-CG2 4.38Å; M571-I628 HydrophobicContact SD-CG2 4.06Å; M571-K631 HydrophobicContact CE-CB 3.62Å; M571-K631 HydrophobicContact CE-CG 4.43Å; M571-V632 HydrophobicContact CE-CG2 4.2Å; M571-V632 HydrophobicContact SD-CG2 4.43Å
572Q89.7Confident81.1Confident16 Ų1671.3 Ų71.38%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-138.4125.3174.2-163.9179.225.700112.3V553 E554 K556 R574 G591 L592 Q593V553-Q572 CarbonylContact C-O 3.6Å; V553-Q572 WeakPolarHBondContact CA-O 3.31Å; E554-Q572 PolarHBondContact N-O 2.85Å; E554-Q572 PolarHBondContact O-N 3.36Å; K556-Q572 VanDerWaalsContact CE-OE1 3.27Å; K556-Q572 HydrophobicContact CG-CB 4.23Å; Q572-R574 HydrophobicContact CG-CG 4.39Å; Q572-R574 VanDerWaalsContact OE1-NE 3.16Å; Q572-G591 WeakPolarHBondContact CG-O 3.22Å; Q572-G591 PolarHBondContact NE2-O 3.17Å; Q572-L592 CarbonylContact C-O 3.55Å; Q572-L592 WeakPolarHBondContact CA-O 3.21Å; Q572-Q593 HydrophobicContact CG-CB 4.46Å
573L88.4Confident80.4Confident0 Ų074 Ų740%035%0.345CS..EExtended strand (participates in β ladder)trans-94.6125.7174.3-17677.4000110.2I551 R552 V553 F586 G591 L592 F594 I616 I624I551-L573 HydrophobicContact CG2-CD1 3.4Å; I551-L573 HydrophobicContact CG2-CG 3.99Å; R552-L573 CarbonylContact O-C 3.47Å; R552-L573 WeakPolarHBondContact O-CA 3.4Å; V553-L573 HydrophobicContact CG2-CD1 3.6Å; L573-F586 HydrophobicContact CD2-CE1 4.25Å; L573-G591 CarbonylContact O-C 3.59Å; L573-G591 VanDerWaalsContact O-C 3.24Å; L573-G591 WeakPolarHBondContact O-CA 3.48Å; L573-L592 HydrophobicContact CB-CB 4.27Å; L573-L592 HydrophobicContact CD2-CD2 4.1Å; L573-L592 PolarHBondContact N-O 2.84Å; L573-L592 PolarHBondContact O-N 3.35Å; L573-F594 HydrophobicContact CB-CE1 4.24Å; L573-I616 HydrophobicContact CD2-CD1 3.55Å; L573-I616 HydrophobicContact CD2-CG1 3.95Å; L573-I624 HydrophobicContact CD1-CD1 4.25Å; L573-I624 HydrophobicContact CD1-CG1 4.34Å; L573-I624 HydrophobicContact CD1-CG2 3.92Å; L573-I624 HydrophobicContact CD2-CD1 4.21Å
574R83Confident80Confident74 Ų7470.5 Ų70.528%0.27933%0.325SS..EExtended strand (participates in β ladder)trans-126.6129.1-179.7-66.6179.9-176.4156.74.3111.3I551 R552 E554 Q572 Y576I551-R574 CarbonylContact C-O 3.57Å; I551-R574 VanDerWaalsContact CA-O 3.25Å; I551-R574 WeakPolarHBondContact CA-O 3.27Å; R552-R574 PolarHBondContact N-O 3.25Å; R552-R574 PolarHBondContact O-N 2.62Å; E554-R574 IonicContact OE1-CZ 2.7Å; E554-R574 IonicContact OE1-NE 3.26Å; E554-R574 IonicContact OE1-NH1 2.68Å; E554-R574 PolarHBondContact OE1-NH1 2.9Å; E554-R574 IonicContact OE2-CZ 3.26Å; E554-R574 VanDerWaalsContact OE2-CZ 3.26Å; E554-R574 IonicContact OE2-NH1 3.19Å; E554-R574 PolarHBondContact OE2-NH1 3.06Å; E554-R574 IonicContact OE2-NH2 3.76Å; Q572-R574 HydrophobicContact CG-CG 4.39Å; Q572-R574 VanDerWaalsContact OE1-NE 3.16Å; R574-Y576 HydrophobicContact CB-CD2 4.32Å; R574-Y576 HydrophobicContact CB-CE2 3.68Å; R574-Y576 WeakPolarHBondContact CD-OH 3.48Å
575V78Confident79Confident17 Ų1774.2 Ų74.210%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-97.6115.3174.21800000109.2I551 K580 R581 Y584 F586I551-V575 HydrophobicContact CG1-CB 4.47Å; I551-V575 HydrophobicContact CG1-CG1 4.39Å; I551-V575 HydrophobicContact CG1-CG2 3.92Å; I551-V575 HydrophobicContact CG2-CG2 4.48Å; V575-K580 HydrophobicContact CG1-CB 3.88Å; V575-R581 HydrophobicContact CB-CG 4.33Å; V575-R581 HydrophobicContact CG1-CG 3.81Å; V575-Y584 HydrophobicContact CG1-CD2 4.3Å; V575-Y584 HydrophobicContact CG2-CD1 3.72Å; V575-Y584 HydrophobicContact CG2-CD2 3.65Å; V575-Y584 HydrophobicContact CG2-CE1 3.97Å; V575-Y584 HydrophobicContact CG2-CE2 3.95Å; V575-Y584 HydrophobicContact CG2-CG 3.55Å; V575-F586 HydrophobicContact CB-CZ 4.29Å; V575-F586 HydrophobicContact CG2-CE1 4.22Å; V575-F586 HydrophobicContact CG2-CE2 4.38Å; V575-F586 HydrophobicContact CG2-CZ 3.57Å
576Y70.2Confident78.3Confident125 Ų12573.6 Ų73.649%0.4933%0.326SS..  trans-94.2-34.3179-71.5-86.5000112.6G550 R552 R574 E578 R581G550-Y576 PolarHBondContact O-N 3.11Å; R552-Y576 HydrophobicContact CB-CD2 4.27Å; R552-Y576 HydrophobicContact CB-CE2 3.84Å; R574-Y576 HydrophobicContact CB-CD2 4.32Å; R574-Y576 HydrophobicContact CB-CE2 3.68Å; R574-Y576 WeakPolarHBondContact CD-OH 3.48Å; Y576-E578 PolarHBondContact O-N 2.89Å; Y576-R581 PolarHBondContact O-NH2 2.9Å
577D68Low77Confident60 Ų6077.6 Ų77.632%0.32134%0.341SS..  trans-69.4114.2179.4178.414.6000111.6G550 K579 K580 R581G550-D577 PolarHBondContact O-N 3.25Å; G550-D577 VanDerWaalsContact O-N 3.1Å; D577-K579 PolarHBondContact O-N 3.28Å; D577-K579 WeakPolarHBondContact OD1-CB 3.1Å; D577-K579 PolarHBondContact OD1-N 2.89Å; D577-K580 HydrophobicContact CB-CB 4.21Å; D577-K580 HydrophobicContact CB-CG 4.44Å; D577-K580 PolarHBondContact O-N 2.94Å; D577-R581 PolarHBondContact O-N 3.43Å
578E66.9Low75.2Confident130 Ų13080.8 Ų80.861%0.60735%0.352SS*.THydrogen-bonded Turntrans-59.7-23.8179.1-162146.5-89.600113.8Y576 R581Y576-E578 PolarHBondContact O-N 2.89Å; E578-R581 IonicContact OE1-CZ 3.58Å; E578-R581 IonicContact OE1-NH1 3.63Å; E578-R581 PolarHBondContact OE1-NH1 2.91Å; E578-R581 IonicContact OE1-NH2 3.51Å; E578-R581 PolarHBondContact OE1-NH2 2.84Å
579K67.6Low73.4Confident181 Ų18182.9 Ų82.979%0.78737%0.367SS*.THydrogen-bonded Turntrans-73.8-42172.1-62.7175-177.6172.90111.1D577D577-K579 PolarHBondContact O-N 3.28Å; D577-K579 WeakPolarHBondContact OD1-CB 3.1Å; D577-K579 PolarHBondContact OD1-N 2.89Å
580K69Low72Confident38 Ų3888.4 Ų88.417%0.16539%0.393CS..THydrogen-bonded Turntrans-73.9-32.7178.2-78-167.1165.4-160.70113.9I549 I551 V575 D577 K582 Q583 Y584 D620I549-K580 WeakPolarHBondContact O-CD 3.45Å; I549-K580 WeakPolarHBondContact O-CE 3.15Å; I549-K580 PolarHBondContact O-NZ 2.85Å; I551-K580 HydrophobicContact CD1-CD 4.06Å; I551-K580 HydrophobicContact CG1-CD 4.47Å; V575-K580 HydrophobicContact CG1-CB 3.88Å; D577-K580 HydrophobicContact CB-CB 4.21Å; D577-K580 HydrophobicContact CB-CG 4.44Å; D577-K580 PolarHBondContact O-N 2.94Å; K580-K582 PolarHBondContact O-N 3.19Å; K580-Q583 WeakPolarHBondContact O-CB 3.49Å; K580-Q583 PolarHBondContact O-N 2.89Å; K580-Y584 HydrophobicContact CB-CE2 4.41Å; K580-Y584 WeakPolarHBondContact O-CD2 3.35Å; K580-D620 IonicContact NZ-OD1 3.81Å; K580-D620 PolarHBondContact NZ-OD1 2.95Å; K580-D620 IonicContact NZ-OD2 3.73Å; K580-D620 PolarHBondContact NZ-OD2 3.08Å
581R68Low71.2Confident72 Ų7285 Ų8527%0.27238%0.379SS..G310 helixtrans-49.2-32.2-177.4-73.1-171.1-136132.413.9114.3V575 Y576 D577 E578 Q583 Y584 E588V575-R581 HydrophobicContact CB-CG 4.33Å; V575-R581 HydrophobicContact CG1-CG 3.81Å; Y576-R581 PolarHBondContact O-NH2 2.9Å; D577-R581 PolarHBondContact O-N 3.43Å; E578-R581 IonicContact OE1-CZ 3.58Å; E578-R581 IonicContact OE1-NH1 3.63Å; E578-R581 PolarHBondContact OE1-NH1 2.91Å; E578-R581 IonicContact OE1-NH2 3.51Å; E578-R581 PolarHBondContact OE1-NH2 2.84Å; R581-Q583 VanDerWaalsContact C-N 3.27Å; R581-Q583 PolarHBondContact O-N 2.83Å; R581-Y584 PolarHBondContact O-N 2.98Å; R581-E588 WeakPolarHBondContact CD-OE1 3.45Å; R581-E588 IonicContact CZ-OE1 2.81Å; R581-E588 IonicContact NE-OE1 3.78Å; R581-E588 IonicContact NH1-OE1 3.66Å; R581-E588 PolarHBondContact NH1-OE1 3.18Å
582K68.6Low70.9Confident192 Ų19286 Ų8684%0.83539%0.385SS*.G310 helixtrans-70.7-15.9178.5-61.8-176.1-178.5-179.30115K580K580-K582 PolarHBondContact O-N 3.19Å
583Q70.9Confident70.9Confident85 Ų8589.3 Ų89.340%0.39740%0.4SS..G310 helixtrans-93.6-20.6179.7-162.4178.4-9.100111.9K580 R581 P617 E619K580-Q583 WeakPolarHBondContact O-CB 3.49Å; K580-Q583 PolarHBondContact O-N 2.89Å; R581-Q583 VanDerWaalsContact C-N 3.27Å; R581-Q583 PolarHBondContact O-N 2.83Å; Q583-P617 HydrophobicContact CG-CB 3.79Å; Q583-P617 HydrophobicContact CG-CG 3.84Å; Q583-E619 PolarHBondContact NE2-OE2 3.24Å
584Y75.4Confident71.1Confident12 Ų1290.5 Ų90.55%0.04741%0.405CS..  trans-91.6147.9176.7-73.2-98000110.8I551 V575 K580 R581 F586 H615 I616 P617 D620 I624I551-Y584 HydrophobicContact CD1-CE2 4.18Å; I551-Y584 WeakPolarHBondContact CD1-OH 3.24Å; V575-Y584 HydrophobicContact CG1-CD2 4.3Å; V575-Y584 HydrophobicContact CG2-CD1 3.72Å; V575-Y584 HydrophobicContact CG2-CD2 3.65Å; V575-Y584 HydrophobicContact CG2-CE1 3.97Å; V575-Y584 HydrophobicContact CG2-CE2 3.95Å; V575-Y584 HydrophobicContact CG2-CG 3.55Å; K580-Y584 HydrophobicContact CB-CE2 4.41Å; K580-Y584 WeakPolarHBondContact O-CD2 3.35Å; R581-Y584 PolarHBondContact O-N 2.98Å; Y584-F586 HydrophobicContact CD1-CD1 4.38Å; Y584-F586 AromaticContact CD1-CE1 3.65Å; Y584-F586 HydrophobicContact CD1-CE1 3.65Å; Y584-F586 HydrophobicContact CD1-CZ 4.32Å; Y584-F586 HydrophobicContact CG-CE1 4.24Å; Y584-H615 WeakPolarHBondContact CD1-O 3.43Å; Y584-I616 HydrophobicContact CE1-CB 4.37Å; Y584-I616 HydrophobicContact CE1-CG1 4.15Å; Y584-I616 HydrophobicContact CE1-CG2 4.25Å; Y584-P617 VanDerWaalsContact CE1-CD 3.49Å; Y584-P617 HydrophobicContact CE1-CG 4.41Å; Y584-P617 HydrophobicContact CE2-CG 3.91Å; Y584-D620 VanDerWaalsContact OH-CB 3.25Å; Y584-D620 WeakPolarHBondContact OH-CB 3.49Å; Y584-D620 PolarHBondContact OH-OD2 3.09Å; Y584-I624 HydrophobicContact CE1-CD1 4.13Å; Y584-I624 WeakPolarHBondContact OH-CD1 3.5Å
585R66.8Low71.5Confident193 Ų19389.1 Ų89.173%0.72841%0.41SS*.  trans-101.8-4.8-173.2-65.6-62.3-170.1156.42.5115.6Q614R585-Q614 VanDerWaalsContact CB-O 3.29Å; R585-Q614 WeakPolarHBondContact CB-O 3.49Å; R585-Q614 WeakPolarHBondContact CG-O 3.41Å
586F70.1Confident72.3Confident41 Ų4188.4 Ų88.418%0.1841%0.405CS..SBendtrans-82.2158.7173.460.6-100000112L573 V575 Y584 L592L573-F586 HydrophobicContact CD2-CE1 4.25Å; V575-F586 HydrophobicContact CB-CZ 4.29Å; V575-F586 HydrophobicContact CG2-CE1 4.22Å; V575-F586 HydrophobicContact CG2-CE2 4.38Å; V575-F586 HydrophobicContact CG2-CZ 3.57Å; Y584-F586 HydrophobicContact CD1-CD1 4.38Å; Y584-F586 AromaticContact CD1-CE1 3.65Å; Y584-F586 HydrophobicContact CD1-CE1 3.65Å; Y584-F586 HydrophobicContact CD1-CZ 4.32Å; Y584-F586 HydrophobicContact CG-CE1 4.24Å; F586-L592 HydrophobicContact CD1-CB 3.69Å; F586-L592 HydrophobicContact CE1-CB 3.88Å; F586-L592 HydrophobicContact CG-CB 4.09Å; F586-L592 HydrophobicContact CZ-CB 4.46Å
587K60.2Low73.4Confident142 Ų14284.2 Ų84.262%0.61739%0.391SS*.PPolyproline II helixtrans-63.5147.9-176.5-72.2163.1166.9176.70111.9E590K587-E590 HydrophobicContact CB-CB 4.23Å; K587-E590 HydrophobicContact CD-CB 4.47Å; K587-E590 WeakPolarHBondContact CD-OE2 3.2Å; K587-E590 WeakPolarHBondContact CE-OE2 3.4Å; K587-E590 IonicContact NZ-OE1 2.84Å; K587-E590 IonicContact NZ-OE2 2.67Å; K587-E590 PolarHBondContact NZ-OE2 3.13Å; K587-E590 PolarHBondContact O-N 3.08Å
588E51.3Low74.4Confident118 Ų11881.4 Ų81.455%0.55138%0.376SS*.SBendtrans-60.5140.2167.8-66.4-168.5106.600111R581 E590R581-E588 WeakPolarHBondContact CD-OE1 3.45Å; R581-E588 IonicContact CZ-OE1 2.81Å; R581-E588 IonicContact NE-OE1 3.78Å; R581-E588 IonicContact NH1-OE1 3.66Å; R581-E588 PolarHBondContact NH1-OE1 3.18Å; E588-E590 PolarHBondContact O-N 2.69Å; E588-E590 VanDerWaalsContact O-N 3.11Å
589N54.6Low75.5Confident166 Ų16680.6 Ų80.689%0.88837%0.372SS*.SBendtrans71.3-27.6-175.9-42.4-67.8000116.3G591N589-G591 PolarHBondContact O-N 3.34Å
590E62.9Low76.6Confident115 Ų11578.1 Ų78.154%0.53737%0.368SS..SBendtrans-94.478.5173.3-68.8178.1178.400110.7K587 E588K587-E590 HydrophobicContact CB-CB 4.23Å; K587-E590 HydrophobicContact CD-CB 4.47Å; K587-E590 WeakPolarHBondContact CD-OE2 3.2Å; K587-E590 WeakPolarHBondContact CE-OE2 3.4Å; K587-E590 IonicContact NZ-OE1 2.84Å; K587-E590 IonicContact NZ-OE2 2.67Å; K587-E590 PolarHBondContact NZ-OE2 3.13Å; K587-E590 PolarHBondContact O-N 3.08Å; E588-E590 PolarHBondContact O-N 2.69Å; E588-E590 VanDerWaalsContact O-N 3.11Å
591G75.1Confident77.7Confident8 Ų879 Ų798%0.08237%0.374CS..  trans-57.9140.6178.400000113.3Q572 L573 N589 Q593Q572-G591 WeakPolarHBondContact CG-O 3.22Å; Q572-G591 PolarHBondContact NE2-O 3.17Å; L573-G591 CarbonylContact O-C 3.59Å; L573-G591 VanDerWaalsContact O-C 3.24Å; L573-G591 WeakPolarHBondContact O-CA 3.48Å; N589-G591 PolarHBondContact O-N 3.34Å; G591-Q593 PolarHBondContact O-N 3.17Å; G591-Q593 VanDerWaalsContact O-N 3.12Å
592L85.5Confident78.8Confident22 Ų2277.3 Ų77.312%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-52.4114.2-179.3176.172.5000111.1Q572 L573 F586 M610 H615 I616Q572-L592 CarbonylContact C-O 3.55Å; Q572-L592 WeakPolarHBondContact CA-O 3.21Å; L573-L592 HydrophobicContact CB-CB 4.27Å; L573-L592 HydrophobicContact CD2-CD2 4.1Å; L573-L592 PolarHBondContact N-O 2.84Å; L573-L592 PolarHBondContact O-N 3.35Å; F586-L592 HydrophobicContact CD1-CB 3.69Å; F586-L592 HydrophobicContact CE1-CB 3.88Å; F586-L592 HydrophobicContact CG-CB 4.09Å; F586-L592 HydrophobicContact CZ-CB 4.46Å; L592-M610 HydrophobicContact CD2-CE 4.46Å; L592-M610 HydrophobicContact CD2-CG 4.16Å; L592-M610 HydrophobicContact CD2-SD 4.15Å; L592-H615 HydrophobicContact CD1-CB 4.3Å; L592-H615 HydrophobicContact CD2-CB 3.88Å; L592-I616 HydrophobicContact CD2-CD1 4.44Å; L592-I616 HydrophobicContact CD2-CG1 4.48Å
593Q88.8Confident80Confident85 Ų8569.2 Ų69.240%0.39734%0.341SS..EExtended strand (participates in β ladder)trans-96.2141173.5175.9174.4-7.200110M571 Q572 G591M571-Q593 WeakPolarHBondContact O-CA 3.39Å; M571-Q593 WeakPolarHBondContact O-CG 3.45Å; Q572-Q593 HydrophobicContact CG-CB 4.46Å; G591-Q593 PolarHBondContact O-N 3.17Å; G591-Q593 VanDerWaalsContact O-N 3.12Å
594F91.8Very high80.9Confident25 Ų2570 Ų7011%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-146.5156.1177.758-77.1000109.8V553 M571 L573 V606 M610 I628V553-F594 HydrophobicContact CG1-CZ 4.47Å; M571-F594 HydrophobicContact CB-CD1 4.11Å; M571-F594 HydrophobicContact CB-CD2 3.96Å; M571-F594 HydrophobicContact CB-CE1 3.66Å; M571-F594 HydrophobicContact CB-CE2 3.5Å; M571-F594 VanDerWaalsContact CB-CE2 3.5Å; M571-F594 HydrophobicContact CB-CG 4.25Å; M571-F594 HydrophobicContact CB-CZ 3.32Å; M571-F594 HydrophobicContact CG-CE2 3.95Å; M571-F594 HydrophobicContact CG-CZ 4.13Å; M571-F594 PolarHBondContact N-O 3Å; M571-F594 PolarHBondContact O-N 3Å; M571-F594 VanDerWaalsContact O-O 3.13Å; M571-F594 HydrophobicContact SD-CD2 4.5Å; M571-F594 HydrophobicContact SD-CE2 3.53Å; M571-F594 VanDerWaalsContact SD-CE2 3.53Å; M571-F594 HydrophobicContact SD-CZ 3.82Å; L573-F594 HydrophobicContact CB-CE1 4.24Å; F594-V606 HydrophobicContact CD2-CG1 3.89Å; F594-V606 HydrophobicContact CE2-CG1 4.02Å; F594-M610 HydrophobicContact CB-CE 3.81Å; F594-M610 HydrophobicContact CD1-CE 3.37Å; F594-M610 HydrophobicContact CD2-CE 3.34Å; F594-M610 HydrophobicContact CE1-CE 3.64Å; F594-M610 HydrophobicContact CE2-CE 3.61Å; F594-M610 HydrophobicContact CG-CE 3.22Å; F594-M610 HydrophobicContact CZ-CE 3.76Å; F594-I628 HydrophobicContact CE2-CD1 3.77Å; F594-I628 HydrophobicContact CE2-CG1 4.33Å; F594-I628 HydrophobicContact CZ-CD1 3.57Å; F594-I628 HydrophobicContact CZ-CG1 3.91Å
595A92.3Very high81.7Confident45 Ų4575.3 Ų75.337%0.37237%0.373SS..EExtended strand (participates in β ladder)trans-84.5156.5165.300000109.7E568 I569E568-A595 HydrophobicContact CG-CB 4.08Å; E568-A595 WeakPolarHBondContact OE1-CB 3.41Å; I569-A595 CarbonylContact O-C 3.58Å
596F94.6Very high83Confident1 Ų166.6 Ų66.60%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-143.5120.7169.8-169.9-77.4000108.8I569 M571 D601 P603 V606 I628 V632I569-F596 HydrophobicContact CG1-CB 4.23Å; I569-F596 VanDerWaalsContact CG1-O 3.32Å; I569-F596 WeakPolarHBondContact CG1-O 3.44Å; I569-F596 PolarHBondContact N-O 2.66Å; I569-F596 PolarHBondContact O-N 2.9Å; M571-F596 HydrophobicContact CG-CB 4.04Å; M571-F596 HydrophobicContact SD-CB 3.63Å; M571-F596 HydrophobicContact SD-CD2 4.24Å; M571-F596 HydrophobicContact SD-CG 3.98Å; F596-D601 WeakPolarHBondContact CA-OD2 3.5Å; F596-D601 HydrophobicContact CD1-CB 4.19Å; F596-D601 HydrophobicContact CD2-CB 4.1Å; F596-D601 HydrophobicContact CE1-CB 3.87Å; F596-D601 HydrophobicContact CE2-CB 3.78Å; F596-D601 HydrophobicContact CG-CB 4.29Å; F596-D601 HydrophobicContact CZ-CB 3.65Å; F596-D601 VanDerWaalsContact CZ-O 3.31Å; F596-D601 WeakPolarHBondContact CZ-O 3.27Å; F596-P603 HydrophobicContact CE2-CB 4.39Å; F596-V606 HydrophobicContact CD2-CB 4.33Å; F596-V606 HydrophobicContact CD2-CG1 4.28Å; F596-V606 HydrophobicContact CD2-CG2 3.88Å; F596-V606 HydrophobicContact CE2-CB 4.27Å; 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 3.65Å; F596-V632 HydrophobicContact CE1-CB 4.34Å; F596-V632 HydrophobicContact CE1-CG1 3.9Å; F596-V632 HydrophobicContact CE1-CG2 3.53Å; F596-V632 HydrophobicContact CE2-CG2 4.42Å; F596-V632 HydrophobicContact CG-CG2 4.19Å; F596-V632 HydrophobicContact CZ-CG2 3.94Å
597D92.7Very high84Confident37 Ų3764.6 Ų64.620%0.19833%0.332CS..EExtended strand (participates in β ladder)trans-80.5115.9172.3-174.4-45.9000110V567 E599 N600 D601V567-D597 WeakPolarHBondContact CG1-OD1 3.48Å; D597-E599 PolarHBondContact O-N 3.26Å; D597-E599 VanDerWaalsContact O-N 3.14Å; D597-E599 PolarHBondContact OD1-N 3.26Å; D597-N600 HydrophobicContact CB-CB 4.15Å; D597-N600 VanDerWaalsContact CG-ND2 3.3Å; D597-N600 PolarHBondContact OD1-N 2.98Å; D597-N600 PolarHBondContact OD1-ND2 2.97Å; D597-N600 PolarHBondContact OD2-ND2 3.19Å; D597-D601 HydrophobicContact CB-CB 4.33Å; D597-D601 PolarHBondContact N-OD2 2.95Å; D597-D601 WeakPolarHBondContact O-CB 3.41Å; D597-D601 PolarHBondContact O-N 3.08Å
598I90.5Very high85.4Confident1 Ų163.1 Ų63.11%0.00533%0.327CS..THydrogen-bonded Turntrans-61.8-22.8-175.8-69.6162.1000112.8V567 I569 F635 R636V567-I598 VanDerWaalsContact O-CB 3.31Å; V567-I598 WeakPolarHBondContact O-CB 3.41Å; V567-I598 WeakPolarHBondContact O-CD1 3.48Å; V567-I598 VanDerWaalsContact O-CG1 3.26Å; V567-I598 WeakPolarHBondContact O-CG1 3.46Å; V567-I598 PolarHBondContact O-N 2.99Å; I569-I598 HydrophobicContact CB-CD1 4.48Å; I569-I598 HydrophobicContact CD1-CD1 4.13Å; I569-I598 HydrophobicContact CD1-CG1 3.99Å; I569-I598 HydrophobicContact CG1-CD1 4.12Å; I569-I598 HydrophobicContact CG1-CG1 3.99Å; I569-I598 HydrophobicContact CG2-CD1 3.61Å; I569-I598 HydrophobicContact CG2-CG1 4.39Å; I598-F635 HydrophobicContact CD1-CD1 3.38Å; I598-F635 HydrophobicContact CD1-CE1 3.36Å; I598-F635 HydrophobicContact CD1-CG 4.48Å; I598-F635 HydrophobicContact CD1-CZ 4.44Å; I598-F635 HydrophobicContact CG1-CD1 4.4Å; I598-R636 HydrophobicContact CG2-CG 3.55Å; I598-R636 PolarHBondContact O-NE 2.8Å; I598-R636 VanDerWaalsContact O-NE 3.16Å; I598-R636 PolarHBondContact O-NH2 2.8Å
599E89.4Confident87.2Confident113 Ų11362.2 Ų62.253%0.52832%0.323SS..THydrogen-bonded Turntrans-110.7-30.9-173.4-67.6179.2-170.200112.6V567 D597 R639V567-E599 HydrophobicContact CG1-CB 4Å; V567-E599 HydrophobicContact CG1-CG 3.96Å; D597-E599 PolarHBondContact O-N 3.26Å; D597-E599 VanDerWaalsContact O-N 3.14Å; D597-E599 PolarHBondContact OD1-N 3.26Å; E599-R639 IonicContact OE1-CZ 2.78Å; E599-R639 IonicContact OE1-NH1 2.76Å; E599-R639 PolarHBondContact OE1-NH1 3.14Å; E599-R639 IonicContact OE1-NH2 3.23Å; E599-R639 PolarHBondContact OE1-NH2 3.47Å
600N89.9Confident88.9Confident129 Ų12954.6 Ų54.669%0.6928%0.282SS*.THydrogen-bonded Turntrans-101.2-32.8-178.5-60.4-63.5000114.7D597D597-N600 HydrophobicContact CB-CB 4.15Å; D597-N600 VanDerWaalsContact CG-ND2 3.3Å; D597-N600 PolarHBondContact OD1-N 2.98Å; D597-N600 PolarHBondContact OD1-ND2 2.97Å; D597-N600 PolarHBondContact OD2-ND2 3.19Å
601D92.8Very high90Very high57 Ų5750.2 Ų50.231%0.30526%0.262SS..  trans-83.3141.5-172.6-76.7-25.9000113.8F596 D597 V606F596-D601 WeakPolarHBondContact CA-OD2 3.5Å; F596-D601 HydrophobicContact CD1-CB 4.19Å; F596-D601 HydrophobicContact CD2-CB 4.1Å; F596-D601 HydrophobicContact CE1-CB 3.87Å; F596-D601 HydrophobicContact CE2-CB 3.78Å; F596-D601 HydrophobicContact CG-CB 4.29Å; F596-D601 HydrophobicContact CZ-CB 3.65Å; F596-D601 VanDerWaalsContact CZ-O 3.31Å; F596-D601 WeakPolarHBondContact CZ-O 3.27Å; D597-D601 HydrophobicContact CB-CB 4.33Å; D597-D601 PolarHBondContact N-OD2 2.95Å; D597-D601 WeakPolarHBondContact O-CB 3.41Å; D597-D601 PolarHBondContact O-N 3.08Å; D601-V606 HydrophobicContact CB-CG2 3.98Å
602S91.8Very high90.7Very high36 Ų3657.3 Ų57.325%0.25229%0.294SS..  trans-96.4131169.1176.20000110.9D604 E605 V606S602-D604 PolarHBondContact O-N 3.1Å; S602-E605 PolarHBondContact O-N 3.21Å; S602-E605 VanDerWaalsContact O-N 3.11Å; S602-V606 PolarHBondContact O-N 3.33Å
603P92.1Very high90.6Very high23 Ų2361.5 Ų61.515%0.14931%0.312CS..Hα-helixtrans-64.4-26.7179.127.9-35.1000112.9F596 V607 T625 I628 K629F596-P603 HydrophobicContact CE2-CB 4.39Å; P603-V607 VanDerWaalsContact O-CG2 3.3Å; P603-V607 WeakPolarHBondContact O-CG2 3.42Å; P603-V607 PolarHBondContact O-N 2.79Å; P603-T625 HydrophobicContact CB-CG2 4.38Å; P603-I628 HydrophobicContact CB-CB 4.36Å; P603-I628 HydrophobicContact CB-CG2 3.97Å; P603-K629 HydrophobicContact CB-CB 4.18Å; P603-K629 HydrophobicContact CG-CB 4.05Å; P603-K629 HydrophobicContact CG-CG 4.5Å
604D91.5Very high90.1Very high102 Ų10264.1 Ų64.155%0.54533%0.325SS..Hα-helixtrans-71.3-39.6174.1-68-102.2000111.1S602 Q608 T625S602-D604 PolarHBondContact O-N 3.1Å; D604-Q608 WeakPolarHBondContact O-CB 3.33Å; D604-Q608 PolarHBondContact O-N 3.01Å; D604-T625 HydrophobicContact CB-CG2 4.28Å
605E91.8Very high89.6Confident122 Ų12265.7 Ų65.757%0.5733%0.332SS*.Hα-helixtrans-73.1-42.8-179.5-66.4176.1-169.100112S602 V607 Q608 Q609S602-E605 PolarHBondContact O-N 3.21Å; S602-E605 VanDerWaalsContact O-N 3.11Å; E605-V607 VanDerWaalsContact C-N 3.3Å; E605-V607 PolarHBondContact O-N 2.76Å; E605-Q608 WeakPolarHBondContact O-CB 3.02Å; E605-Q608 PolarHBondContact O-N 2.71Å; E605-Q608 VanDerWaalsContact O-N 3.11Å; E605-Q609 WeakPolarHBondContact O-CG 3.39Å; E605-Q609 PolarHBondContact O-N 3.42Å
606V92.8Very high89.1Confident10 Ų1063.9 Ų63.96%0.06132%0.316CS..Hα-helixtrans-60.5-40175.8170.40000111.1F594 F596 D601 S602 Q609 M610 I628F594-V606 HydrophobicContact CD2-CG1 3.89Å; F594-V606 HydrophobicContact CE2-CG1 4.02Å; F596-V606 HydrophobicContact CD2-CB 4.33Å; F596-V606 HydrophobicContact CD2-CG1 4.28Å; F596-V606 HydrophobicContact CD2-CG2 3.88Å; F596-V606 HydrophobicContact CE2-CB 4.27Å; F596-V606 HydrophobicContact CE2-CG2 3.84Å; D601-V606 HydrophobicContact CB-CG2 3.98Å; S602-V606 PolarHBondContact O-N 3.33Å; V606-Q609 PolarHBondContact O-N 3.35Å; V606-M610 HydrophobicContact CG1-CE 3.55Å; V606-M610 HydrophobicContact CG1-SD 4.46Å; V606-M610 VanDerWaalsContact O-CG 3.3Å; V606-M610 WeakPolarHBondContact O-CG 3.4Å; V606-M610 PolarHBondContact O-N 2.84Å; V606-M610 VanDerWaalsContact O-N 3.16Å; V606-I628 HydrophobicContact CG1-CD1 4.43Å
607V91.8Very high88.5Confident0 Ų064.5 Ų64.50%032%0.32CS..Hα-helixtrans-70.4-37.2173.8175.30000111.8P603 E605 Q609 M610 I611 T621 I624 I628P603-V607 VanDerWaalsContact O-CG2 3.3Å; P603-V607 WeakPolarHBondContact O-CG2 3.42Å; P603-V607 PolarHBondContact O-N 2.79Å; E605-V607 VanDerWaalsContact C-N 3.3Å; E605-V607 PolarHBondContact O-N 2.76Å; V607-Q609 VanDerWaalsContact C-N 3.3Å; V607-Q609 PolarHBondContact O-N 2.96Å; V607-M610 WeakPolarHBondContact O-CB 3.4Å; V607-M610 PolarHBondContact O-N 2.84Å; V607-M610 VanDerWaalsContact O-N 3.15Å; V607-I611 HydrophobicContact CG1-CD1 3.89Å; V607-I611 HydrophobicContact CG1-CG1 4.47Å; V607-I611 WeakPolarHBondContact O-CG1 3.44Å; V607-I611 PolarHBondContact O-N 2.55Å; V607-T621 HydrophobicContact CG1-CG2 3.97Å; V607-I624 HydrophobicContact CG2-CG2 3.98Å; V607-I628 HydrophobicContact CG2-CD1 3.7Å
608Q90Very high88Confident110 Ų11068.2 Ų68.251%0.51434%0.34SS..Hα-helixtrans-62.2-37.4175.9-172.756.182.400112.2D604 E605 I611 E612D604-Q608 WeakPolarHBondContact O-CB 3.33Å; D604-Q608 PolarHBondContact O-N 3.01Å; E605-Q608 WeakPolarHBondContact O-CB 3.02Å; E605-Q608 PolarHBondContact O-N 2.71Å; E605-Q608 VanDerWaalsContact O-N 3.11Å; Q608-I611 PolarHBondContact O-N 3.01Å; Q608-E612 PolarHBondContact O-N 2.94Å
609Q89.7Confident87.6Confident99 Ų9974.8 Ų74.846%0.46337%0.371SS..Hα-helixtrans-65.4-41172-67.8176.632.300112.1E605 V606 V607 I611 E612 Q613E605-Q609 WeakPolarHBondContact O-CG 3.39Å; E605-Q609 PolarHBondContact O-N 3.42Å; V606-Q609 PolarHBondContact O-N 3.35Å; V607-Q609 VanDerWaalsContact C-N 3.3Å; V607-Q609 PolarHBondContact O-N 2.96Å; Q609-I611 VanDerWaalsContact C-N 3.26Å; Q609-I611 PolarHBondContact O-N 3.36Å; Q609-E612 PolarHBondContact O-N 3.2Å; Q609-Q613 WeakPolarHBondContact O-CB 3.29Å; Q609-Q613 VanDerWaalsContact O-CG 3.22Å; Q609-Q613 WeakPolarHBondContact O-CG 3.39Å; Q609-Q613 PolarHBondContact O-N 2.83Å
610M88.3Confident87.2Confident6 Ų670.1 Ų70.13%0.0335%0.35CS..Hα-helixtrans-65.2-29.2176.4-67.1167.9-178.700113.4L592 F594 V606 V607 Q614 H615 I616 I628L592-M610 HydrophobicContact CD2-CE 4.46Å; L592-M610 HydrophobicContact CD2-CG 4.16Å; L592-M610 HydrophobicContact CD2-SD 4.15Å; F594-M610 HydrophobicContact CB-CE 3.81Å; F594-M610 HydrophobicContact CD1-CE 3.37Å; F594-M610 HydrophobicContact CD2-CE 3.34Å; F594-M610 HydrophobicContact CE1-CE 3.64Å; F594-M610 HydrophobicContact CE2-CE 3.61Å; F594-M610 HydrophobicContact CG-CE 3.22Å; F594-M610 HydrophobicContact CZ-CE 3.76Å; V606-M610 HydrophobicContact CG1-CE 3.55Å; V606-M610 HydrophobicContact CG1-SD 4.46Å; V606-M610 VanDerWaalsContact O-CG 3.3Å; V606-M610 WeakPolarHBondContact O-CG 3.4Å; V606-M610 PolarHBondContact O-N 2.84Å; V606-M610 VanDerWaalsContact O-N 3.16Å; V607-M610 WeakPolarHBondContact O-CB 3.4Å; V607-M610 PolarHBondContact O-N 2.84Å; V607-M610 VanDerWaalsContact O-N 3.15Å; M610-Q614 PolarHBondContact O-N 3.43Å; M610-H615 PolarHBondContact O-N 3.12Å; M610-I616 HydrophobicContact CB-CB 4.41Å; M610-I616 HydrophobicContact CB-CD1 3.52Å; M610-I616 HydrophobicContact CB-CG1 3.94Å; M610-I616 HydrophobicContact CG-CD1 4.03Å; M610-I616 PolarHBondContact O-N 3.02Å; M610-I616 HydrophobicContact SD-CD1 3.43Å; M610-I616 WeakPolarHBondContact SD-CD1 3.49Å; M610-I628 HydrophobicContact CE-CD1 4.33Å; M610-I628 HydrophobicContact SD-CD1 4.46Å
611I88Confident87Confident23 Ų2365.7 Ų65.712%0.11833%0.327CS..Hα-helixtrans-74-44.7173-69.4161.6000110.3V607 Q608 Q609 Q613 Q614 I616 D618 T621V607-I611 HydrophobicContact CG1-CD1 3.89Å; V607-I611 HydrophobicContact CG1-CG1 4.47Å; V607-I611 WeakPolarHBondContact O-CG1 3.44Å; V607-I611 PolarHBondContact O-N 2.55Å; Q608-I611 PolarHBondContact O-N 3.01Å; Q609-I611 VanDerWaalsContact C-N 3.26Å; Q609-I611 PolarHBondContact O-N 3.36Å; I611-Q613 VanDerWaalsContact C-N 3.3Å; I611-Q613 PolarHBondContact O-N 3Å; I611-Q614 WeakPolarHBondContact O-CA 3.4Å; I611-Q614 PolarHBondContact O-N 2.89Å; I611-I616 HydrophobicContact CG1-CB 4.35Å; I611-I616 HydrophobicContact CG1-CG2 4.36Å; I611-D618 WeakPolarHBondContact CG2-OD1 3.35Å; I611-T621 HydrophobicContact CD1-CG2 3.75Å; I611-T621 WeakPolarHBondContact CD1-OG1 3.3Å
612E87.8Confident86.6Confident158 Ų15873.2 Ų73.274%0.73835%0.351SS*.Hα-helixtrans-60.7-38.8175.8-174171.7-162.200112.1Q608 Q609 Q614Q608-E612 PolarHBondContact O-N 2.94Å; Q609-E612 PolarHBondContact O-N 3.2Å; E612-Q614 PolarHBondContact O-N 3.39Å
613Q85.2Confident86.1Confident109 Ų10973.8 Ų73.851%0.50935%0.351SS..THydrogen-bonded Turntrans-73.20.4171.8-65.9167.812.900113.8Q609 I611 H615Q609-Q613 WeakPolarHBondContact O-CB 3.29Å; Q609-Q613 VanDerWaalsContact O-CG 3.22Å; Q609-Q613 WeakPolarHBondContact O-CG 3.39Å; Q609-Q613 PolarHBondContact O-N 2.83Å; I611-Q613 VanDerWaalsContact C-N 3.3Å; I611-Q613 PolarHBondContact O-N 3Å; Q613-H615 PolarHBondContact O-N 2.8Å; Q613-H615 PolarHBondContact OE1-CD2 3.48Å
614Q78.3Confident85.9Confident140 Ų14072.7 Ų72.765%0.65434%0.343SS*.THydrogen-bonded Turntrans56.423.7-177.7-54.8-172.84.700114.8R585 M610 I611 E612R585-Q614 VanDerWaalsContact CB-O 3.29Å; R585-Q614 WeakPolarHBondContact CB-O 3.49Å; R585-Q614 WeakPolarHBondContact CG-O 3.41Å; M610-Q614 PolarHBondContact O-N 3.43Å; I611-Q614 WeakPolarHBondContact O-CA 3.4Å; I611-Q614 PolarHBondContact O-N 2.89Å; E612-Q614 PolarHBondContact O-N 3.39Å
615H79.7Confident85.8Confident58 Ų5868.5 Ų68.527%0.26932%0.322SS..SBendtrans-77.6-27.5176.9-69.4-33.9000112.8Y584 L592 M610 Q613Y584-H615 WeakPolarHBondContact CD1-O 3.43Å; L592-H615 HydrophobicContact CD1-CB 4.3Å; L592-H615 HydrophobicContact CD2-CB 3.88Å; M610-H615 PolarHBondContact O-N 3.12Å; Q613-H615 PolarHBondContact O-N 2.8Å; Q613-H615 PolarHBondContact OE1-CD2 3.48Å
616I82.7Confident85.5Confident7 Ų768 Ų684%0.03632%0.318CS..SBendtrans-128.9141.3-172.7-62.9-177000110L573 Y584 L592 M610 I611 I624L573-I616 HydrophobicContact CD2-CD1 3.55Å; L573-I616 HydrophobicContact CD2-CG1 3.95Å; Y584-I616 HydrophobicContact CE1-CB 4.37Å; Y584-I616 HydrophobicContact CE1-CG1 4.15Å; Y584-I616 HydrophobicContact CE1-CG2 4.25Å; L592-I616 HydrophobicContact CD2-CD1 4.44Å; L592-I616 HydrophobicContact CD2-CG1 4.48Å; M610-I616 HydrophobicContact CB-CB 4.41Å; M610-I616 HydrophobicContact CB-CD1 3.52Å; M610-I616 HydrophobicContact CB-CG1 3.94Å; M610-I616 HydrophobicContact CG-CD1 4.03Å; M610-I616 PolarHBondContact O-N 3.02Å; M610-I616 HydrophobicContact SD-CD1 3.43Å; M610-I616 WeakPolarHBondContact SD-CD1 3.49Å; I611-I616 HydrophobicContact CG1-CB 4.35Å; I611-I616 HydrophobicContact CG1-CG2 4.36Å; I616-I624 HydrophobicContact CD1-CD1 3.99Å; I616-I624 HydrophobicContact CD1-CG2 4.15Å; I616-I624 HydrophobicContact CG1-CD1 4.45Å; I616-I624 HydrophobicContact CG2-CD1 3.7Å
617P81.6Confident85.2Confident14 Ų1468.2 Ų68.29%0.09132%0.318CS..  trans-84141.7173.934.2-35.4000113.7Q583 Y584 E619 D620Q583-P617 HydrophobicContact CG-CB 3.79Å; Q583-P617 HydrophobicContact CG-CG 3.84Å; Y584-P617 VanDerWaalsContact CE1-CD 3.49Å; Y584-P617 HydrophobicContact CE1-CG 4.41Å; Y584-P617 HydrophobicContact CE2-CG 3.91Å; P617-E619 PolarHBondContact O-N 2.93Å; P617-D620 HydrophobicContact CG-CB 4.41Å; P617-D620 PolarHBondContact O-N 2.99Å; P617-D620 VanDerWaalsContact O-N 3.08Å
618D82.7Confident85.1Confident115 Ų11568.2 Ų68.262%0.61532%0.318SS*.G310 helixtrans-49.7-34.7-178.2-57.2-1.2000114.2I611 D620 T621I611-D618 WeakPolarHBondContact CG2-OD1 3.35Å; D618-D620 VanDerWaalsContact C-N 3.3Å; D618-D620 PolarHBondContact O-N 2.81Å; D618-T621 VanDerWaalsContact C-OG1 3.32Å; D618-T621 WeakPolarHBondContact CA-OG1 3.16Å; D618-T621 WeakPolarHBondContact O-CB 3.15Å; D618-T621 PolarHBondContact O-N 3.24Å; D618-T621 PolarHBondContact O-OG1 3.22Å
619E81.3Confident85.1Confident139 Ų13967.9 Ų67.965%0.6532%0.315SS*.G310 helixtrans-66.7-30.5-177-58.693.2163.300113.4Q583 P617Q583-E619 PolarHBondContact NE2-OE2 3.24Å; P617-E619 PolarHBondContact O-N 2.93Å
620D81.4Confident84.8Confident16 Ų1665.2 Ų65.29%0.08630%0.304CS..G310 helixtrans-90.1-6.6-178.6-80.4-25.1000113.1I551 K580 Y584 P617 D618 R622 M623 I624I551-D620 WeakPolarHBondContact CD1-OD2 3.49Å; K580-D620 IonicContact NZ-OD1 3.81Å; K580-D620 PolarHBondContact NZ-OD1 2.95Å; K580-D620 IonicContact NZ-OD2 3.73Å; K580-D620 PolarHBondContact NZ-OD2 3.08Å; Y584-D620 VanDerWaalsContact OH-CB 3.25Å; Y584-D620 WeakPolarHBondContact OH-CB 3.49Å; Y584-D620 PolarHBondContact OH-OD2 3.09Å; P617-D620 HydrophobicContact CG-CB 4.41Å; P617-D620 PolarHBondContact O-N 2.99Å; P617-D620 VanDerWaalsContact O-N 3.08Å; D618-D620 VanDerWaalsContact C-N 3.3Å; D618-D620 PolarHBondContact O-N 2.81Å; D620-R622 PolarHBondContact O-N 2.88Å; D620-M623 HydrophobicContact CB-CE 4Å; D620-M623 WeakPolarHBondContact O-CA 3.4Å; D620-M623 WeakPolarHBondContact O-CB 3.41Å; D620-M623 PolarHBondContact O-N 3.06Å; D620-M623 WeakPolarHBondContact OD1-CE 3.25Å; D620-I624 HydrophobicContact CB-CD1 4.16Å; D620-I624 PolarHBondContact O-N 3.22Å
621T86.3Confident84.8Confident36 Ų3666.6 Ų66.622%0.22131%0.31CS..Hα-helixtrans-39.3-63.4-178.3-56.80000113.9V607 I611 D618 M623 I624 T625V607-T621 HydrophobicContact CG1-CG2 3.97Å; I611-T621 HydrophobicContact CD1-CG2 3.75Å; I611-T621 WeakPolarHBondContact CD1-OG1 3.3Å; D618-T621 VanDerWaalsContact C-OG1 3.32Å; D618-T621 WeakPolarHBondContact CA-OG1 3.16Å; D618-T621 WeakPolarHBondContact O-CB 3.15Å; D618-T621 PolarHBondContact O-N 3.24Å; D618-T621 PolarHBondContact O-OG1 3.22Å; T621-M623 PolarHBondContact O-N 3.38Å; T621-M623 VanDerWaalsContact O-N 3.12Å; T621-I624 PolarHBondContact O-N 2.84Å; T621-T625 WeakPolarHBondContact O-CB 3.06Å; T621-T625 PolarHBondContact O-N 2.89Å; T621-T625 PolarHBondContact O-OG1 2.81Å
622R83.7Confident84.9Confident215 Ų21565.8 Ų65.881%0.81131%0.306SS*.Hα-helixtrans-61.1-26.1-175.5-67.6179.3-66.6-153.3-5.7113.1D620 K626D620-R622 PolarHBondContact O-N 2.88Å; R622-K626 WeakPolarHBondContact O-CB 3.4Å; R622-K626 PolarHBondContact O-N 3Å
623M82Confident85Confident47 Ų4761 Ų6123%0.23229%0.286CS..Hα-helixtrans-83.7-38.8-178.2-173.5179.76400111I549 I551 D620 T621 K626 L627I549-M623 HydrophobicContact CB-CE 4.33Å; I549-M623 HydrophobicContact CB-SD 3.9Å; I549-M623 HydrophobicContact CD1-CG 4.47Å; I549-M623 HydrophobicContact CG1-CG 4.36Å; I549-M623 HydrophobicContact CG1-SD 3.84Å; I549-M623 HydrophobicContact CG2-CE 3.5Å; I549-M623 HydrophobicContact CG2-CG 4.04Å; I549-M623 HydrophobicContact CG2-SD 3.54Å; I549-M623 VanDerWaalsContact CG2-SD 3.54Å; I551-M623 HydrophobicContact CD1-CE 3.68Å; D620-M623 HydrophobicContact CB-CE 4Å; D620-M623 WeakPolarHBondContact O-CA 3.4Å; D620-M623 WeakPolarHBondContact O-CB 3.41Å; D620-M623 PolarHBondContact O-N 3.06Å; D620-M623 WeakPolarHBondContact OD1-CE 3.25Å; T621-M623 PolarHBondContact O-N 3.38Å; T621-M623 VanDerWaalsContact O-N 3.12Å; M623-K626 PolarHBondContact O-N 2.84Å; M623-L627 WeakPolarHBondContact O-CG 3.45Å; M623-L627 PolarHBondContact O-N 2.84Å
624I87.2Confident84.9Confident0 Ų056.6 Ų56.60%027%0.267CS..Hα-helixtrans-75.4-39175.8-64.1173.5000111I551 L573 Y584 V607 I616 D620 T621 K626 L627 I628I551-I624 HydrophobicContact CD1-CD1 4.37Å; L573-I624 HydrophobicContact CD1-CD1 4.25Å; L573-I624 HydrophobicContact CD1-CG1 4.34Å; L573-I624 HydrophobicContact CD1-CG2 3.92Å; L573-I624 HydrophobicContact CD2-CD1 4.21Å; Y584-I624 HydrophobicContact CE1-CD1 4.13Å; Y584-I624 WeakPolarHBondContact OH-CD1 3.5Å; V607-I624 HydrophobicContact CG2-CG2 3.98Å; I616-I624 HydrophobicContact CD1-CD1 3.99Å; I616-I624 HydrophobicContact CD1-CG2 4.15Å; I616-I624 HydrophobicContact CG1-CD1 4.45Å; I616-I624 HydrophobicContact CG2-CD1 3.7Å; D620-I624 HydrophobicContact CB-CD1 4.16Å; D620-I624 PolarHBondContact O-N 3.22Å; T621-I624 PolarHBondContact O-N 2.84Å; I624-K626 PolarHBondContact O-N 2.88Å; I624-L627 PolarHBondContact O-N 2.9Å; I624-I628 HydrophobicContact CG2-CD1 4.08Å; I624-I628 HydrophobicContact CG2-CG1 4.35Å; I624-I628 WeakPolarHBondContact O-CG1 3.35Å; I624-I628 PolarHBondContact O-N 2.8Å
625T89.7Confident85.4Confident14 Ų1449.9 Ų49.99%0.08624%0.236CC..Hα-helixtrans-53.4-46.1169.9-54.20000110.4P603 D604 T621 K629P603-T625 HydrophobicContact CB-CG2 4.38Å; D604-T625 HydrophobicContact CB-CG2 4.28Å; T621-T625 WeakPolarHBondContact O-CB 3.06Å; T621-T625 PolarHBondContact O-N 2.89Å; T621-T625 PolarHBondContact O-OG1 2.81Å; T625-K629 VanDerWaalsContact O-CB 3.29Å; T625-K629 WeakPolarHBondContact O-CB 2.89Å; T625-K629 PolarHBondContact O-N 2.87Å
626K85.4Confident85.9Confident113 Ų11351.6 Ų51.649%0.49124%0.24SC..Hα-helixtrans-63.2-44.3174.6-168.6-170.6-176.5-49.50112.3R622 M623 I624 K629 D630R622-K626 WeakPolarHBondContact O-CB 3.4Å; R622-K626 PolarHBondContact O-N 3Å; M623-K626 PolarHBondContact O-N 2.84Å; I624-K626 PolarHBondContact O-N 2.88Å; K626-K629 PolarHBondContact O-N 2.72Å; K626-D630 IonicContact NZ-OD1 2.82Å; K626-D630 PolarHBondContact NZ-OD1 2.88Å; K626-D630 IonicContact NZ-OD2 3.61Å; K626-D630 PolarHBondContact NZ-OD2 3Å; K626-D630 WeakPolarHBondContact O-CB 3.42Å; K626-D630 PolarHBondContact O-N 2.87Å
627L86.5Confident86Confident13 Ų1357.9 Ų57.97%0.06826%0.263CS..Hα-helixtrans-64.1-40.2178.9-75.2170.2000113.1I549 V553 M623 I624 K631I549-L627 HydrophobicContact CD1-CD1 4.21Å; I549-L627 HydrophobicContact CD1-CD2 4.02Å; I549-L627 HydrophobicContact CD1-CG 4.39Å; I549-L627 HydrophobicContact CG2-CD1 3.84Å; V553-L627 HydrophobicContact CB-CB 4.32Å; V553-L627 HydrophobicContact CG2-CB 3.71Å; V553-L627 HydrophobicContact CG2-CD1 4.42Å; M623-L627 WeakPolarHBondContact O-CG 3.45Å; M623-L627 PolarHBondContact O-N 2.84Å; I624-L627 PolarHBondContact O-N 2.9Å; L627-K631 WeakPolarHBondContact O-CB 3.39Å; L627-K631 VanDerWaalsContact O-CG 3.27Å; L627-K631 WeakPolarHBondContact O-CG 3.26Å; L627-K631 PolarHBondContact O-N 3.07Å
628I89.8Confident86.2Confident0 Ų059 Ų590%027%0.268CS..Hα-helixtrans-65.4-48.1174.9-66.3177.7000109.2V553 M571 F594 F596 P603 V606 V607 M610 I624 K631 V632V553-I628 HydrophobicContact CG1-CG1 4.4Å; V553-I628 HydrophobicContact CG2-CG1 4.13Å; M571-I628 HydrophobicContact CE-CG2 4.38Å; M571-I628 HydrophobicContact SD-CG2 4.06Å; F594-I628 HydrophobicContact CE2-CD1 3.77Å; F594-I628 HydrophobicContact CE2-CG1 4.33Å; F594-I628 HydrophobicContact CZ-CD1 3.57Å; F594-I628 HydrophobicContact CZ-CG1 3.91Å; F596-I628 HydrophobicContact CD2-CG2 3.85Å; F596-I628 HydrophobicContact CE2-CG2 3.74Å; P603-I628 HydrophobicContact CB-CB 4.36Å; P603-I628 HydrophobicContact CB-CG2 3.97Å; V606-I628 HydrophobicContact CG1-CD1 4.43Å; V607-I628 HydrophobicContact CG2-CD1 3.7Å; M610-I628 HydrophobicContact CE-CD1 4.33Å; M610-I628 HydrophobicContact SD-CD1 4.46Å; I624-I628 HydrophobicContact CG2-CD1 4.08Å; I624-I628 HydrophobicContact CG2-CG1 4.35Å; I624-I628 WeakPolarHBondContact O-CG1 3.35Å; I624-I628 PolarHBondContact O-N 2.8Å; I628-K631 WeakPolarHBondContact O-CB 3.41Å; I628-K631 PolarHBondContact O-N 2.82Å; I628-V632 HydrophobicContact CG2-CG2 4.32Å; I628-V632 WeakPolarHBondContact O-CG2 3.38Å; I628-V632 PolarHBondContact O-N 2.93Å
629K89.6Confident86.5Confident104 Ų10455.2 Ų55.245%0.45225%0.246SC..Hα-helixtrans-58.6-50.4176.9-179166.9-178.3165.50113P603 T625 K626 K631 V632 D633P603-K629 HydrophobicContact CB-CB 4.18Å; P603-K629 HydrophobicContact CG-CB 4.05Å; P603-K629 HydrophobicContact CG-CG 4.5Å; T625-K629 VanDerWaalsContact O-CB 3.29Å; T625-K629 WeakPolarHBondContact O-CB 2.89Å; T625-K629 PolarHBondContact O-N 2.87Å; K626-K629 PolarHBondContact O-N 2.72Å; K629-K631 PolarHBondContact O-N 2.85Å; K629-V632 PolarHBondContact O-N 3.02Å; K629-D633 WeakPolarHBondContact CE-OD2 3.42Å; K629-D633 WeakPolarHBondContact CG-OD2 3.47Å; K629-D633 WeakPolarHBondContact O-CB 3.15Å; K629-D633 PolarHBondContact O-N 2.91Å
630D84.2Confident86.9Confident43 Ų4352.1 Ų52.123%0.2323%0.234CC..Hα-helixtrans-56.3-36.5178.6-68.7-21.7000110.8K626 A634K626-D630 IonicContact NZ-OD1 2.82Å; K626-D630 PolarHBondContact NZ-OD1 2.88Å; K626-D630 IonicContact NZ-OD2 3.61Å; K626-D630 PolarHBondContact NZ-OD2 3Å; K626-D630 WeakPolarHBondContact O-CB 3.42Å; K626-D630 PolarHBondContact O-N 2.87Å; D630-A634 WeakPolarHBondContact O-CB 3.45Å; D630-A634 PolarHBondContact O-N 3.44Å; D630-A634 VanDerWaalsContact O-N 3.08Å
631K87.4Confident87Confident35 Ų3555.8 Ų55.815%0.15225%0.25CS..Hα-helixtrans-72.6-42.6176.1-76-60.7-169.9-172.20114D541 V553 M571 L627 I628 K629 A634 F635D541-K631 VanDerWaalsContact CG-CE 3.42Å; D541-K631 WeakPolarHBondContact OD1-CE 3.32Å; D541-K631 IonicContact OD1-NZ 3.73Å; D541-K631 PolarHBondContact OD1-NZ 2.89Å; D541-K631 WeakPolarHBondContact OD2-CE 3.21Å; D541-K631 IonicContact OD2-NZ 3.6Å; D541-K631 PolarHBondContact OD2-NZ 3.26Å; V553-K631 HydrophobicContact CB-CG 4.29Å; V553-K631 HydrophobicContact CG1-CG 4.13Å; V553-K631 WeakPolarHBondContact O-CE 3.47Å; M571-K631 HydrophobicContact CE-CB 3.62Å; M571-K631 HydrophobicContact CE-CG 4.43Å; L627-K631 WeakPolarHBondContact O-CB 3.39Å; L627-K631 VanDerWaalsContact O-CG 3.27Å; L627-K631 WeakPolarHBondContact O-CG 3.26Å; L627-K631 PolarHBondContact O-N 3.07Å; I628-K631 WeakPolarHBondContact O-CB 3.41Å; I628-K631 PolarHBondContact O-N 2.82Å; K629-K631 PolarHBondContact O-N 2.85Å; K631-A634 PolarHBondContact O-N 3.39Å; K631-F635 WeakPolarHBondContact O-CB 3.38Å; K631-F635 PolarHBondContact O-N 2.85Å
632V91.2Very high87Confident6 Ų657.9 Ų57.94%0.03625%0.254CS..Hα-helixtrans-68.4-43.4176.9173.60000110.5M571 F596 I628 K629 A634 F635 R636M571-V632 HydrophobicContact CE-CG2 4.2Å; M571-V632 HydrophobicContact SD-CG2 4.43Å; F596-V632 HydrophobicContact CD1-CG2 3.65Å; F596-V632 HydrophobicContact CE1-CB 4.34Å; F596-V632 HydrophobicContact CE1-CG1 3.9Å; F596-V632 HydrophobicContact CE1-CG2 3.53Å; F596-V632 HydrophobicContact CE2-CG2 4.42Å; F596-V632 HydrophobicContact CG-CG2 4.19Å; F596-V632 HydrophobicContact CZ-CG2 3.94Å; I628-V632 HydrophobicContact CG2-CG2 4.32Å; I628-V632 WeakPolarHBondContact O-CG2 3.38Å; I628-V632 PolarHBondContact O-N 2.93Å; K629-V632 PolarHBondContact O-N 3.02Å; V632-A634 PolarHBondContact O-N 3.26Å; V632-F635 PolarHBondContact O-N 2.83Å; V632-R636 HydrophobicContact CG1-CG 4.35Å; V632-R636 WeakPolarHBondContact O-CB 3.29Å; V632-R636 WeakPolarHBondContact O-CG 3.33Å; V632-R636 PolarHBondContact O-N 2.69Å
633D88.4Confident87.2Confident58 Ų5851.1 Ų51.131%0.3123%0.234SC..Hα-helixtrans-67.6-19.3174.8-73.2-20.9000112.5K629 R636 R637K629-D633 WeakPolarHBondContact CE-OD2 3.42Å; K629-D633 WeakPolarHBondContact CG-OD2 3.47Å; K629-D633 WeakPolarHBondContact O-CB 3.15Å; K629-D633 PolarHBondContact O-N 2.91Å; D633-R636 IonicContact OD1-NH1 3.75Å; D633-R637 WeakPolarHBondContact O-CG 3.44Å; D633-R637 PolarHBondContact O-NE 2.88Å; D633-R637 PolarHBondContact O-NH2 3.37Å
634A83.4Confident87.5Confident15 Ų1554.6 Ų54.612%0.12425%0.253CS..Hα-helixtrans-78.8-53.1166.800000111.8D630 K631 V632 R636 R637 D638D630-A634 WeakPolarHBondContact O-CB 3.45Å; D630-A634 PolarHBondContact O-N 3.44Å; D630-A634 VanDerWaalsContact O-N 3.08Å; K631-A634 PolarHBondContact O-N 3.39Å; V632-A634 PolarHBondContact O-N 3.26Å; A634-R636 VanDerWaalsContact C-N 3.34Å; A634-R636 PolarHBondContact O-N 2.94Å; A634-R637 PolarHBondContact O-N 2.78Å; A634-R637 VanDerWaalsContact O-N 3.15Å; A634-D638 PolarHBondContact O-N 3.18Å
635F89.8Confident87.4Confident0 Ų058.8 Ų58.80%027%0.272CS..Hα-helixtrans-60.5-40.5-178.2-169.9-83000112.6I555 R558 D561 L562 I569 I598 K631 V632 R637 D638 R639I555-F635 HydrophobicContact CD1-CB 3.87Å; I555-F635 HydrophobicContact CD1-CD2 3.69Å; I555-F635 HydrophobicContact CD1-CG 4.07Å; R558-F635 HydrophobicContact CG-CE2 4.5Å; D561-F635 HydrophobicContact CB-CE2 3.94Å; D561-F635 HydrophobicContact CB-CZ 3.62Å; L562-F635 HydrophobicContact CB-CE2 4.28Å; L562-F635 HydrophobicContact CB-CZ 4.31Å; L562-F635 HydrophobicContact CD1-CD1 4.42Å; L562-F635 HydrophobicContact CD1-CD2 4Å; L562-F635 HydrophobicContact CD1-CE1 4.11Å; L562-F635 HydrophobicContact CD1-CE2 3.66Å; L562-F635 HydrophobicContact CD1-CG 4.37Å; L562-F635 HydrophobicContact CD1-CZ 3.73Å; I569-F635 HydrophobicContact CD1-CG 4.43Å; I569-F635 HydrophobicContact CG2-CD1 4.45Å; I569-F635 HydrophobicContact CG2-CE1 3.93Å; I569-F635 HydrophobicContact CG2-CE2 4.27Å; I569-F635 HydrophobicContact CG2-CZ 3.83Å; I598-F635 HydrophobicContact CD1-CD1 3.38Å; I598-F635 HydrophobicContact CD1-CE1 3.36Å; I598-F635 HydrophobicContact CD1-CG 4.48Å; I598-F635 HydrophobicContact CD1-CZ 4.44Å; I598-F635 HydrophobicContact CG1-CD1 4.4Å; K631-F635 WeakPolarHBondContact O-CB 3.38Å; K631-F635 PolarHBondContact O-N 2.85Å; V632-F635 PolarHBondContact O-N 2.83Å; F635-R637 PolarHBondContact O-N 2.93Å; F635-D638 PolarHBondContact O-N 2.98Å; F635-R639 WeakPolarHBondContact O-CB 3.42Å; F635-R639 PolarHBondContact O-N 3.02Å
636R89.1Confident87.3Confident94 Ų9460.9 Ų60.936%0.35528%0.282SS..Hα-helixtrans-54.7-51.2172.8-77.4174.8170.7-178.7-5.4111.7I598 V632 D633 A634 D638 R639 D640I598-R636 HydrophobicContact CG2-CG 3.55Å; I598-R636 PolarHBondContact O-NE 2.8Å; I598-R636 VanDerWaalsContact O-NE 3.16Å; I598-R636 PolarHBondContact O-NH2 2.8Å; V632-R636 HydrophobicContact CG1-CG 4.35Å; V632-R636 WeakPolarHBondContact O-CB 3.29Å; V632-R636 WeakPolarHBondContact O-CG 3.33Å; V632-R636 PolarHBondContact O-N 2.69Å; D633-R636 IonicContact OD1-NH1 3.75Å; A634-R636 VanDerWaalsContact C-N 3.34Å; A634-R636 PolarHBondContact O-N 2.94Å; R636-D638 VanDerWaalsContact C-N 3.31Å; R636-D638 PolarHBondContact O-N 2.86Å; R636-R639 WeakPolarHBondContact O-CB 3.45Å; R636-R639 PolarHBondContact O-N 3.3Å; R636-D640 PolarHBondContact O-N 3.43Å
637R86.1Confident87.4Confident138 Ų13861.4 Ų61.452%0.52128%0.284SS..Hα-helixtrans-62.5-36.2178.5-73.7-179.3-69.7119.1-5113.1D633 A634 F635 H641D633-R637 WeakPolarHBondContact O-CG 3.44Å; D633-R637 PolarHBondContact O-NE 2.88Å; D633-R637 PolarHBondContact O-NH2 3.37Å; A634-R637 PolarHBondContact O-N 2.78Å; A634-R637 VanDerWaalsContact O-N 3.15Å; F635-R637 PolarHBondContact O-N 2.93Å; R637-H641 WeakPolarHBondContact O-CB 3.43Å; R637-H641 PolarHBondContact O-N 3.04Å
638D85.5Confident87.4Confident37 Ų3767.3 Ų67.320%0.19831%0.306CS..Hα-helixtrans-71.8-37.6177.7-63-24.6000110.9R558 L562 A634 F635 R636 H641 R642R558-D638 IonicContact CZ-OD2 3.71Å; R558-D638 IonicContact NH1-OD2 2.8Å; R558-D638 PolarHBondContact NH1-OD2 2.66Å; R558-D638 IonicContact NH2-OD2 3.43Å; R558-D638 PolarHBondContact NH2-OD2 2.94Å; L562-D638 HydrophobicContact CD1-CB 3.73Å; L562-D638 HydrophobicContact CD2-CB 4.07Å; A634-D638 PolarHBondContact O-N 3.18Å; F635-D638 PolarHBondContact O-N 2.98Å; R636-D638 VanDerWaalsContact C-N 3.31Å; R636-D638 PolarHBondContact O-N 2.86Å; D638-H641 PolarHBondContact O-N 2.89Å; D638-R642 WeakPolarHBondContact O-CB 3.34Å; D638-R642 PolarHBondContact O-N 2.81Å
639R88.8Confident87.2Confident37 Ų3769.9 Ų69.914%0.1433%0.327CS..Hα-helixtrans-62-46.3171.8-170.2-176.878.7160.62.7110.8L562 L565 E599 F635 R636 R642 L643L562-R639 HydrophobicContact CD1-CB 4.38Å; L565-R639 HydrophobicContact CD2-CG 3.82Å; E599-R639 IonicContact OE1-CZ 2.78Å; E599-R639 IonicContact OE1-NH1 2.76Å; E599-R639 PolarHBondContact OE1-NH1 3.14Å; E599-R639 IonicContact OE1-NH2 3.23Å; E599-R639 PolarHBondContact OE1-NH2 3.47Å; F635-R639 WeakPolarHBondContact O-CB 3.42Å; F635-R639 PolarHBondContact O-N 3.02Å; R636-R639 WeakPolarHBondContact O-CB 3.45Å; R636-R639 PolarHBondContact O-N 3.3Å; R639-R642 PolarHBondContact O-N 3.38Å; R639-L643 HydrophobicContact CG-CD1 4.4Å; R639-L643 WeakPolarHBondContact O-CG 3.46Å; R639-L643 PolarHBondContact O-N 3.35Å
640D88.5Confident87.1Confident74 Ų7471.4 Ų71.440%0.39633%0.334SS..Hα-helixtrans-63.2-42.9177.9-61.2-22.3000111.4R636 R642 L643 L644R636-D640 PolarHBondContact O-N 3.43Å; D640-R642 VanDerWaalsContact C-N 3.34Å; D640-R642 PolarHBondContact O-N 3.23Å; D640-L643 PolarHBondContact O-N 2.79Å; D640-L644 WeakPolarHBondContact O-CD1 3.34Å; D640-L644 PolarHBondContact O-N 2.89Å
641H84.7Confident87.2Confident93 Ų9373.4 Ų73.443%0.43134%0.342SS..Hα-helixtrans-61-41.7173.3-177.2-65.5000111.7R637 D638 L644 E645R637-H641 WeakPolarHBondContact O-CB 3.43Å; R637-H641 PolarHBondContact O-N 3.04Å; D638-H641 PolarHBondContact O-N 2.89Å; H641-L644 PolarHBondContact O-N 2.77Å; H641-E645 WeakPolarHBondContact O-CB 3.29Å; H641-E645 PolarHBondContact O-N 2.8Å
642R86.4Confident86.9Confident79 Ų7977 Ų7730%0.29836%0.359SS..Hα-helixtrans-65.8-37.8177.5-170.856162.8168.2-0.3111.9N563 L565 D638 R639 D640 E645 I646N563-R642 PolarHBondContact OD1-NE 3.33Å; N563-R642 PolarHBondContact OD1-NH2 2.79Å; L565-R642 HydrophobicContact CD2-CG 4.48Å; D638-R642 WeakPolarHBondContact O-CB 3.34Å; D638-R642 PolarHBondContact O-N 2.81Å; R639-R642 PolarHBondContact O-N 3.38Å; D640-R642 VanDerWaalsContact C-N 3.34Å; D640-R642 PolarHBondContact O-N 3.23Å; R642-E645 WeakPolarHBondContact CD-OE2 3.18Å; R642-E645 IonicContact CZ-OE2 2.6Å; R642-E645 IonicContact NE-OE2 2.8Å; R642-E645 IonicContact NH1-OE2 3.22Å; R642-E645 PolarHBondContact NH1-OE2 2.8Å; R642-E645 PolarHBondContact O-N 2.7Å; R642-I646 HydrophobicContact CG-CD1 4.07Å; R642-I646 WeakPolarHBondContact O-CB 3.39Å; R642-I646 VanDerWaalsContact O-CG1 3.27Å; R642-I646 WeakPolarHBondContact O-CG1 3.31Å; R642-I646 PolarHBondContact O-N 3.18Å
643L88.3Confident86.6Confident74 Ų7481.9 Ų81.939%0.38738%0.381SS..Hα-helixtrans-62.5-43.1171.8-73.5166.9000112.1L565 R639 D640 K647L565-L643 HydrophobicContact CD1-CD2 3.72Å; L565-L643 HydrophobicContact CD2-CD2 4.09Å; L565-L643 HydrophobicContact CD2-CG 4.07Å; R639-L643 HydrophobicContact CG-CD1 4.4Å; R639-L643 WeakPolarHBondContact O-CG 3.46Å; R639-L643 PolarHBondContact O-N 3.35Å; D640-L643 PolarHBondContact O-N 2.79Å; L643-K647 WeakPolarHBondContact O-CB 3.43Å; L643-K647 PolarHBondContact O-N 3.49Å
644L88Confident86.5Confident120 Ų12084 Ų8463%0.62839%0.39SS*.Hα-helixtrans-65.2-37.2174.1-91.881.4000112.7D640 H641 K647 R648D640-L644 WeakPolarHBondContact O-CD1 3.34Å; D640-L644 PolarHBondContact O-N 2.89Å; H641-L644 PolarHBondContact O-N 2.77Å; L644-K647 PolarHBondContact O-N 3.23Å; L644-R648 PolarHBondContact O-N 2.86Å
645E84.6Confident86.6Confident88 Ų8889.8 Ų89.841%0.41141%0.408SS..Hα-helixtrans-67.1-45.4176.8-174.5177.1-128.700111.6H641 R642 K647 R648 A649H641-E645 WeakPolarHBondContact O-CB 3.29Å; H641-E645 PolarHBondContact O-N 2.8Å; R642-E645 WeakPolarHBondContact CD-OE2 3.18Å; R642-E645 IonicContact CZ-OE2 2.6Å; R642-E645 IonicContact NE-OE2 2.8Å; R642-E645 IonicContact NH1-OE2 3.22Å; R642-E645 PolarHBondContact NH1-OE2 2.8Å; R642-E645 PolarHBondContact O-N 2.7Å; E645-K647 VanDerWaalsContact C-N 3.3Å; E645-K647 PolarHBondContact O-N 2.8Å; E645-R648 PolarHBondContact O-N 2.85Å; E645-A649 WeakPolarHBondContact O-CB 3.35Å; E645-A649 PolarHBondContact O-N 2.82Å
646I86.8Confident86.5Confident57 Ų5794.7 Ų94.729%0.29243%0.433SS..Hα-helixtrans-61.8-37.9173.5-68.9164.9000110.9L565 R642 K650L565-I646 HydrophobicContact CD1-CD1 4.42Å; R642-I646 HydrophobicContact CG-CD1 4.07Å; R642-I646 WeakPolarHBondContact O-CB 3.39Å; R642-I646 VanDerWaalsContact O-CG1 3.27Å; R642-I646 WeakPolarHBondContact O-CG1 3.31Å; R642-I646 PolarHBondContact O-N 3.18Å; I646-K650 HydrophobicContact CG2-CD 4.48Å; I646-K650 WeakPolarHBondContact O-CG 3.39Å; I646-K650 PolarHBondContact O-N 2.95Å; I646-K650 VanDerWaalsContact O-N 3.13Å
647K88.4Confident86.4Confident125 Ų12597.6 Ų97.654%0.54344%0.444SS..Hα-helixtrans-63.5-50.4174.5-173.4174-172.9-86.70111.4L643 L644 E645 A649 K650 E651L643-K647 WeakPolarHBondContact O-CB 3.43Å; L643-K647 PolarHBondContact O-N 3.49Å; L644-K647 PolarHBondContact O-N 3.23Å; E645-K647 VanDerWaalsContact C-N 3.3Å; E645-K647 PolarHBondContact O-N 2.8Å; K647-A649 VanDerWaalsContact C-N 3.32Å; K647-A649 PolarHBondContact O-N 3.38Å; K647-K650 PolarHBondContact O-N 3.42Å; K647-K650 VanDerWaalsContact O-N 3.16Å; K647-E651 WeakPolarHBondContact CE-OE1 3.44Å; K647-E651 IonicContact NZ-OE1 3.65Å; K647-E651 PolarHBondContact NZ-OE1 3.27Å; K647-E651 WeakPolarHBondContact O-CG 3.47Å; K647-E651 PolarHBondContact O-N 3.13Å
648R85.6Confident86.4Confident136 Ų13696.1 Ų96.151%0.51344%0.443SS..Hα-helixtrans-60-41177.8-175.1-174-66.4161.4-2.9112.1L644 E645 K650 E651 E652L644-R648 PolarHBondContact O-N 2.86Å; E645-R648 PolarHBondContact O-N 2.85Å; R648-K650 VanDerWaalsContact C-N 3.31Å; R648-K650 PolarHBondContact O-N 3.48Å; R648-E651 PolarHBondContact O-N 2.89Å; R648-E652 WeakPolarHBondContact O-CB 3.26Å; R648-E652 PolarHBondContact O-N 2.89Å
649A86.1Confident86.4Confident55 Ų55100.2 Ų100.246%0.45546%0.461SS..Hα-helixtrans-63-37.4177.600000112.1E645 K647 E652 E653E645-A649 WeakPolarHBondContact O-CB 3.35Å; E645-A649 PolarHBondContact O-N 2.82Å; K647-A649 VanDerWaalsContact C-N 3.32Å; K647-A649 PolarHBondContact O-N 3.38Å; A649-E652 PolarHBondContact O-N 3.24Å; A649-E653 WeakPolarHBondContact O-CB 3.25Å; A649-E653 PolarHBondContact O-N 2.81Å
650K87.4Confident86.3Confident135 Ų135101.1 Ų101.159%0.58748%0.477SS*.Hα-helixtrans-68.3-44.2172.9-72.2176.4178.6-175.50112.3I646 K647 R648 E652 E653 E654I646-K650 HydrophobicContact CG2-CD 4.48Å; I646-K650 WeakPolarHBondContact O-CG 3.39Å; I646-K650 PolarHBondContact O-N 2.95Å; I646-K650 VanDerWaalsContact O-N 3.13Å; K647-K650 PolarHBondContact O-N 3.42Å; K647-K650 VanDerWaalsContact O-N 3.16Å; R648-K650 VanDerWaalsContact C-N 3.31Å; R648-K650 PolarHBondContact O-N 3.48Å; K650-E652 PolarHBondContact O-N 2.86Å; K650-E653 PolarHBondContact O-N 3.09Å; K650-E654 VanDerWaalsContact O-CB 3.23Å; K650-E654 WeakPolarHBondContact O-CB 3.44Å; K650-E654 PolarHBondContact O-N 3.04Å
651E85.7Confident86.3Confident86 Ų86104.3 Ų104.340%0.40249%0.489SS..Hα-helixtrans-60.9-32.6175.3-68.5167.5163.100112.1K647 R648 R655K647-E651 WeakPolarHBondContact CE-OE1 3.44Å; K647-E651 IonicContact NZ-OE1 3.65Å; K647-E651 PolarHBondContact NZ-OE1 3.27Å; K647-E651 WeakPolarHBondContact O-CG 3.47Å; K647-E651 PolarHBondContact O-N 3.13Å; R648-E651 PolarHBondContact O-N 2.89Å; E651-R655 WeakPolarHBondContact O-CG 3.38Å; E651-R655 PolarHBondContact O-N 3.37Å
652E82.3Confident86.4Confident111 Ų111104.8 Ų104.852%0.51949%0.494SS..Hα-helixtrans-78.7-38.6175.4-170.9160.8-148.500112.7R648 A649 K650 R655 I656R648-E652 WeakPolarHBondContact O-CB 3.26Å; R648-E652 PolarHBondContact O-N 2.89Å; A649-E652 PolarHBondContact O-N 3.24Å; K650-E652 PolarHBondContact O-N 2.86Å; E652-R655 PolarHBondContact O-N 3.41Å; E652-I656 HydrophobicContact CG-CD1 4.16Å; E652-I656 WeakPolarHBondContact O-CD1 3.34Å; E652-I656 VanDerWaalsContact O-CG1 3.26Å; E652-I656 WeakPolarHBondContact O-CG1 3.36Å; E652-I656 PolarHBondContact O-N 3.18Å
653E83.7Confident86.4Confident107 Ų107108.3 Ų108.350%0.551%0.512SS..Hα-helixtrans-63.8-41.4172.3-164-159.3132.800111.9A649 K650 I656 R657A649-E653 WeakPolarHBondContact O-CB 3.25Å; A649-E653 PolarHBondContact O-N 2.81Å; K650-E653 PolarHBondContact O-N 3.09Å; E653-I656 PolarHBondContact O-N 2.76Å; E653-R657 WeakPolarHBondContact O-CB 3.27Å; E653-R657 PolarHBondContact O-N 3.43Å; E653-R657 IonicContact OE1-CZ 3.24Å; E653-R657 IonicContact OE1-NH2 2.81Å; E653-R657 PolarHBondContact OE1-NH2 2.82Å
654E87Confident86.4Confident104 Ų104110 Ų11049%0.48652%0.518SS..Hα-helixtrans-60-50.5176-171.6161.6-135.600110.5K650 I656 R657 E658K650-E654 VanDerWaalsContact O-CB 3.23Å; K650-E654 WeakPolarHBondContact O-CB 3.44Å; K650-E654 PolarHBondContact O-N 3.04Å; E654-I656 PolarHBondContact O-N 2.93Å; E654-R657 WeakPolarHBondContact O-CA 3.46Å; E654-R657 VanDerWaalsContact O-CB 3.32Å; E654-R657 WeakPolarHBondContact O-CB 3.49Å; E654-R657 PolarHBondContact O-N 2.7Å; E654-R657 VanDerWaalsContact O-N 3.09Å; E654-E658 WeakPolarHBondContact O-CG 3.06Å; E654-E658 PolarHBondContact O-N 3.1Å
655R85.7Confident86.3Confident136 Ų136110.2 Ų110.251%0.51352%0.515SS..Hα-helixtrans-59.9-38.3173.7-79.2-173.163.1-92.6-17.4114.5E651 E652 R657 E659E651-R655 WeakPolarHBondContact O-CG 3.38Å; E651-R655 PolarHBondContact O-N 3.37Å; E652-R655 PolarHBondContact O-N 3.41Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R655-E659 WeakPolarHBondContact O-CB 3.27Å; R655-E659 PolarHBondContact O-N 3.25Å
656I87.7Confident86.4Confident103 Ų103111 Ų11153%0.52852%0.521SS..Hα-helixtrans-67.9-33.5177-72165.9000110.5E652 E653 E654 A660E652-I656 HydrophobicContact CG-CD1 4.16Å; E652-I656 WeakPolarHBondContact O-CD1 3.34Å; E652-I656 VanDerWaalsContact O-CG1 3.26Å; E652-I656 WeakPolarHBondContact O-CG1 3.36Å; E652-I656 PolarHBondContact O-N 3.18Å; E653-I656 PolarHBondContact O-N 2.76Å; E654-I656 PolarHBondContact O-N 2.93Å; I656-A660 WeakPolarHBondContact O-CB 3.43Å; I656-A660 PolarHBondContact O-N 3.44Å
657R87.8Confident86.5Confident155 Ų155114.7 Ų114.759%0.58553%0.532SS*.Hα-helixtrans-69-45.7174.9-164.4-177-61.6-1731.3111.5E653 E654 R655 A660 E661E653-R657 WeakPolarHBondContact O-CB 3.27Å; E653-R657 PolarHBondContact O-N 3.43Å; E653-R657 IonicContact OE1-CZ 3.24Å; E653-R657 IonicContact OE1-NH2 2.81Å; E653-R657 PolarHBondContact OE1-NH2 2.82Å; E654-R657 WeakPolarHBondContact O-CA 3.46Å; E654-R657 VanDerWaalsContact O-CB 3.32Å; E654-R657 WeakPolarHBondContact O-CB 3.49Å; E654-R657 PolarHBondContact O-N 2.7Å; E654-R657 VanDerWaalsContact O-N 3.09Å; R655-R657 VanDerWaalsContact C-N 3.28Å; R657-A660 PolarHBondContact O-N 3.26Å; R657-E661 WeakPolarHBondContact O-CB 3.3Å; R657-E661 PolarHBondContact O-N 2.94Å
658E86.3Confident86.4Confident106 Ų106113.1 Ų113.150%0.49553%0.529SS..Hα-helixtrans-57.6-47.3172.7-68.6174154.600111.7E654 A660 E661 I662E654-E658 WeakPolarHBondContact O-CG 3.06Å; E654-E658 PolarHBondContact O-N 3.1Å; E658-A660 VanDerWaalsContact C-N 3.3Å; E658-A660 PolarHBondContact O-N 3.09Å; E658-E661 PolarHBondContact O-N 2.72Å; E658-I662 WeakPolarHBondContact O-CB 3.41Å; E658-I662 VanDerWaalsContact O-CG1 3.29Å; E658-I662 WeakPolarHBondContact O-CG1 3.28Å; E658-I662 PolarHBondContact O-N 2.89Å
659E83.6Confident86.3Confident123 Ų123111.8 Ų111.858%0.57552%0.524SS*.Hα-helixtrans-63.9-35.3178.3-168-178.514400112R655 K663R655-E659 WeakPolarHBondContact O-CB 3.27Å; R655-E659 PolarHBondContact O-N 3.25Å; E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 PolarHBondContact O-N 3.11Å; E659-K663 VanDerWaalsContact O-N 3.15Å
660A87.7Confident86.3Confident57 Ų57111.9 Ų111.947%0.47152%0.524SS..Hα-helixtrans-69.1-41.9174.700000112.6I656 R657 E658 K663 E664I656-A660 WeakPolarHBondContact O-CB 3.43Å; I656-A660 PolarHBondContact O-N 3.44Å; R657-A660 PolarHBondContact O-N 3.26Å; E658-A660 VanDerWaalsContact C-N 3.3Å; E658-A660 PolarHBondContact O-N 3.09Å; A660-K663 PolarHBondContact O-N 3.48Å; A660-E664 PolarHBondContact O-N 2.81Å
661E88.7Confident86.2Confident141 Ų141108.3 Ų108.366%0.65951%0.51SS*.Hα-helixtrans-65.7-47.6179-172.9164.9-171.500111.5R657 E658 K663 E664 E665R657-E661 WeakPolarHBondContact O-CB 3.3Å; R657-E661 PolarHBondContact O-N 2.94Å; E658-E661 PolarHBondContact O-N 2.72Å; E661-K663 PolarHBondContact O-N 3.06Å; E661-E664 PolarHBondContact O-N 3.42Å; E661-E664 VanDerWaalsContact O-N 3.12Å; E661-E665 PolarHBondContact O-N 2.97Å
662I87.2Confident86.3Confident102 Ų102106.9 Ų106.952%0.52351%0.513SS..Hα-helixtrans-57.1-39.3173.5-68.9165.8000111.2E658 L666E658-I662 WeakPolarHBondContact O-CB 3.41Å; E658-I662 VanDerWaalsContact O-CG1 3.29Å; E658-I662 WeakPolarHBondContact O-CG1 3.28Å; E658-I662 PolarHBondContact O-N 2.89Å; I662-L666 HydrophobicContact CG2-CD1 4.14Å; I662-L666 WeakPolarHBondContact O-CB 3.31Å; I662-L666 PolarHBondContact O-N 2.86Å
663K86.5Confident86.4Confident154 Ų154107.1 Ų107.167%0.6751%0.512SS*.Hα-helixtrans-71.4-33.1178.8-176.4177.3-180179.20112.9E659 A660 E661 R667E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 PolarHBondContact O-N 3.11Å; E659-K663 VanDerWaalsContact O-N 3.15Å; A660-K663 PolarHBondContact O-N 3.48Å; E661-K663 PolarHBondContact O-N 3.06Å; K663-R667 PolarHBondContact O-N 3.48Å
664E87.8Confident86.2Confident110 Ų110108.9 Ų108.951%0.51452%0.52SS..Hα-helixtrans-72.4-41.7172.9-176.4156.8-163.100111.6A660 E661 L666 R667 L668A660-E664 PolarHBondContact O-N 2.81Å; E661-E664 PolarHBondContact O-N 3.42Å; E661-E664 VanDerWaalsContact O-N 3.12Å; E664-L666 PolarHBondContact O-N 2.97Å; E664-R667 WeakPolarHBondContact O-CB 3.35Å; E664-R667 PolarHBondContact O-N 2.77Å; E664-R667 VanDerWaalsContact O-N 3.07Å; E664-L668 HydrophobicContact CG-CD1 4.22Å; E664-L668 HydrophobicContact CG-CG 4.49Å; E664-L668 WeakPolarHBondContact O-CG 3.4Å; E664-L668 PolarHBondContact O-N 3.17Å
665E86.2Confident86.1Confident123 Ų123110 Ų11058%0.57552%0.524SS*.Hα-helixtrans-58.5-47.7173.9-165.9-165.4164.400111.3E661 R667 L668 R669E661-E665 PolarHBondContact O-N 2.97Å; E665-R667 PolarHBondContact O-N 2.95Å; E665-L668 PolarHBondContact O-N 3.07Å; E665-R669 VanDerWaalsContact O-CB 3.31Å; E665-R669 WeakPolarHBondContact O-CB 3.32Å; E665-R669 PolarHBondContact O-N 3.37Å
666L85.9Confident85.9Confident104 Ų104109.6 Ų109.655%0.54553%0.527SS..Hα-helixtrans-56.8-36.9174.2-87.9162.5000112.6I662 E664 A670I662-L666 HydrophobicContact CG2-CD1 4.14Å; I662-L666 WeakPolarHBondContact O-CB 3.31Å; I662-L666 PolarHBondContact O-N 2.86Å; E664-L666 PolarHBondContact O-N 2.97Å; L666-A670 WeakPolarHBondContact O-CB 3.44Å; L666-A670 PolarHBondContact O-N 2.88Å
667R88.2Confident85.7Confident136 Ų136111.5 Ų111.551%0.51353%0.532SS..Hα-helixtrans-69.1-47.8176.8-153.7-164.489.6-142.90.3111.6K663 E664 E665 R669 A670 E671K663-R667 PolarHBondContact O-N 3.48Å; E664-R667 WeakPolarHBondContact O-CB 3.35Å; E664-R667 PolarHBondContact O-N 2.77Å; E664-R667 VanDerWaalsContact O-N 3.07Å; E665-R667 PolarHBondContact O-N 2.95Å; R667-R669 VanDerWaalsContact C-N 3.3Å; R667-R669 PolarHBondContact O-N 2.89Å; R667-A670 WeakPolarHBondContact O-CB 3.22Å; R667-A670 PolarHBondContact O-N 2.83Å; R667-A670 VanDerWaalsContact O-N 3.15Å; R667-E671 IonicContact CZ-OE1 2.84Å; R667-E671 VanDerWaalsContact CZ-OE1 3.23Å; R667-E671 IonicContact NE-OE1 2.69Å; R667-E671 PolarHBondContact NE-OE1 3.35Å; R667-E671 IonicContact NH2-OE1 3.01Å; R667-E671 PolarHBondContact NH2-OE1 2.77Å; R667-E671 PolarHBondContact O-N 2.93Å
668L86.9Confident85.3Confident91 Ų91110.9 Ų110.948%0.47654%0.536SS..Hα-helixtrans-61.6-39177.7-69.3170.9000111.6E664 E665 A670 E671 A672E664-L668 HydrophobicContact CG-CD1 4.22Å; E664-L668 HydrophobicContact CG-CG 4.49Å; E664-L668 WeakPolarHBondContact O-CG 3.4Å; E664-L668 PolarHBondContact O-N 3.17Å; E665-L668 PolarHBondContact O-N 3.07Å; L668-A670 VanDerWaalsContact C-N 3.33Å; L668-A670 PolarHBondContact O-N 3.26Å; L668-E671 PolarHBondContact O-N 2.81Å; L668-A672 WeakPolarHBondContact O-CB 3.44Å; L668-A672 PolarHBondContact O-N 3.45Å
669R84.3Confident85.2Confident108 Ų108115 Ų11541%0.40855%0.547SS..Hα-helixtrans-70.1-27.5176.6-160.2165.3177.9-138.3-6.6112.7E665 R667 K673 D1463E665-R669 VanDerWaalsContact O-CB 3.31Å; E665-R669 WeakPolarHBondContact O-CB 3.32Å; E665-R669 PolarHBondContact O-N 3.37Å; R667-R669 VanDerWaalsContact C-N 3.3Å; R667-R669 PolarHBondContact O-N 2.89Å; R669-K673 WeakPolarHBondContact O-CG 3.48Å; R669-K673 PolarHBondContact O-N 2.6Å; R669-D1463 IonicContact CZ-OD2 3.18Å; R669-D1463 IonicContact NH1-OD1 2.71Å; R669-D1463 IonicContact NH1-OD2 2.76Å; R669-D1463 PolarHBondContact NH1-OD2 2.8Å; R669-D1463 IonicContact NH2-OD2 2.89Å; R669-D1463 PolarHBondContact NH2-OD2 3.49Å
670A84.8Confident85.1Confident57 Ų57114.2 Ų114.247%0.47155%0.546SS..Hα-helixtrans-72.9-48169.500000112.1L666 R667 L668 A672 K673 E674L666-A670 WeakPolarHBondContact O-CB 3.44Å; L666-A670 PolarHBondContact O-N 2.88Å; R667-A670 WeakPolarHBondContact O-CB 3.22Å; R667-A670 PolarHBondContact O-N 2.83Å; R667-A670 VanDerWaalsContact O-N 3.15Å; L668-A670 VanDerWaalsContact C-N 3.33Å; L668-A670 PolarHBondContact O-N 3.26Å; A670-A672 PolarHBondContact O-N 2.82Å; A670-K673 PolarHBondContact O-N 3.19Å; A670-K673 VanDerWaalsContact O-N 3.15Å; A670-E674 PolarHBondContact O-N 2.84Å
671E86.8Confident84.7Confident61 Ų61117 Ų11729%0.28555%0.549SS..Hα-helixtrans-58.7-34.7175.9-71.4-178.6-142.900112.5R667 L668 K675R667-E671 IonicContact CZ-OE1 2.84Å; R667-E671 VanDerWaalsContact CZ-OE1 3.23Å; R667-E671 IonicContact NE-OE1 2.69Å; R667-E671 PolarHBondContact NE-OE1 3.35Å; R667-E671 IonicContact NH2-OE1 3.01Å; R667-E671 PolarHBondContact NH2-OE1 2.77Å; R667-E671 PolarHBondContact O-N 2.93Å; L668-E671 PolarHBondContact O-N 2.81Å; E671-K675 WeakPolarHBondContact O-CD 3.2Å; E671-K675 WeakPolarHBondContact O-CG 3.33Å; E671-K675 PolarHBondContact O-N 2.67Å; E671-K675 IonicContact OE2-NZ 3.76Å
672A87.1Confident84.4Confident55 Ų55117.5 Ų117.546%0.45555%0.549SS..Hα-helixtrans-66.7-46.3174.600000112.3L668 A670 E674 K675 E676L668-A672 WeakPolarHBondContact O-CB 3.44Å; L668-A672 PolarHBondContact O-N 3.45Å; A670-A672 PolarHBondContact O-N 2.82Å; A672-E674 VanDerWaalsContact C-N 3.29Å; A672-E674 PolarHBondContact O-N 2.82Å; A672-K675 PolarHBondContact O-N 2.86Å; A672-E676 PolarHBondContact O-N 3.17Å
673K83.9Confident84Confident116 Ų116116.5 Ų116.550%0.50454%0.542SS..Hα-helixtrans-62.7-33.9176.8-76.1176178178.60112.4R669 A670 K677R669-K673 WeakPolarHBondContact O-CG 3.48Å; R669-K673 PolarHBondContact O-N 2.6Å; A670-K673 PolarHBondContact O-N 3.19Å; A670-K673 VanDerWaalsContact O-N 3.15Å; K673-K677 WeakPolarHBondContact O-CB 2.95Å; K673-K677 PolarHBondContact O-N 2.97Å
674E81.2Confident83.7Confident144 Ų144118.6 Ų118.667%0.67355%0.546SS*.Hα-helixtrans-67.2-47.4175.2-174.1164-140.500112.1A670 A672 E676 K677 E678A670-E674 PolarHBondContact O-N 2.84Å; A672-E674 VanDerWaalsContact C-N 3.29Å; A672-E674 PolarHBondContact O-N 2.82Å; E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.06Å; E674-K677 WeakPolarHBondContact O-CB 3.46Å; E674-K677 PolarHBondContact O-N 2.94Å; E674-E678 PolarHBondContact O-N 2.83Å
675K83.4Confident83.2Confident129 Ų129118.6 Ų118.656%0.56155%0.549SS*.Hα-helixtrans-62.3-35175.9-71.8163.3-175.8151.80112.7E671 A672 R679E671-K675 WeakPolarHBondContact O-CD 3.2Å; E671-K675 WeakPolarHBondContact O-CG 3.33Å; E671-K675 PolarHBondContact O-N 2.67Å; E671-K675 IonicContact OE2-NZ 3.76Å; A672-K675 PolarHBondContact O-N 2.86Å; K675-R679 WeakPolarHBondContact O-CB 3.47Å; K675-R679 PolarHBondContact O-N 2.88Å; K675-R679 VanDerWaalsContact O-N 3.12Å
676E83Confident82.8Confident126 Ų126119.2 Ų119.259%0.58955%0.552SS**Hα-helixtrans-66.8-44.6173.1-177.5170.6-14200112A672 E674 E678 R679 L680A672-E676 PolarHBondContact O-N 3.17Å; E674-E676 VanDerWaalsContact C-N 3.3Å; E674-E676 PolarHBondContact O-N 3.06Å; E676-E678 PolarHBondContact O-N 2.96Å; E676-R679 WeakPolarHBondContact O-CB 3.34Å; E676-R679 PolarHBondContact O-N 3Å; E676-L680 PolarHBondContact O-N 2.94Å
677K81.7Confident82.4Confident144 Ų144120.5 Ų120.563%0.62655%0.553SS**Hα-helixtrans-60.7-44.7176.2-177.6-171.7170.9-164.80111.9K673 E674 R679 L680 E681K673-K677 WeakPolarHBondContact O-CB 2.95Å; K673-K677 PolarHBondContact O-N 2.97Å; E674-K677 WeakPolarHBondContact O-CB 3.46Å; E674-K677 PolarHBondContact O-N 2.94Å; K677-R679 VanDerWaalsContact C-N 3.32Å; K677-R679 PolarHBondContact O-N 2.91Å; K677-L680 PolarHBondContact O-N 2.77Å; K677-E681 PolarHBondContact O-N 3.03Å
678E80.5Confident81.7Confident141 Ų141121.6 Ų121.666%0.65956%0.561SS**Hα-helixtrans-60.7-42176.5-170.9-174.2-158.400111.3E674 E676 E681 K682E674-E678 PolarHBondContact O-N 2.83Å; E676-E678 PolarHBondContact O-N 2.96Å; E678-E681 PolarHBondContact O-N 2.78Å; E678-K682 WeakPolarHBondContact O-CB 3.4Å; E678-K682 PolarHBondContact O-N 3.43Å
679R84.4Confident81.1Confident194 Ų194120.2 Ų120.273%0.73256%0.563SS**Hα-helixtrans-62.9-42.5175.1-174.9-179.3176-159.6-2.4112.3K675 E676 K677 K682 E683K675-R679 WeakPolarHBondContact O-CB 3.47Å; K675-R679 PolarHBondContact O-N 2.88Å; K675-R679 VanDerWaalsContact O-N 3.12Å; E676-R679 WeakPolarHBondContact O-CB 3.34Å; E676-R679 PolarHBondContact O-N 3Å; K677-R679 VanDerWaalsContact C-N 3.32Å; K677-R679 PolarHBondContact O-N 2.91Å; R679-K682 PolarHBondContact O-N 3.4Å; R679-E683 PolarHBondContact O-N 3.41Å
680L80.9Confident80.5Confident105 Ų105117.9 Ų117.955%0.5557%0.567SS.*Hα-helixtrans-66.2-37.8175.7-97.6166.7000112.7E676 K677 E683 R684E676-L680 PolarHBondContact O-N 2.94Å; K677-L680 PolarHBondContact O-N 2.77Å; L680-E683 PolarHBondContact O-N 3.39Å; L680-R684 WeakPolarHBondContact O-CB 3.33Å; L680-R684 PolarHBondContact O-N 3.39Å
681E79.7Confident79.8Confident117 Ų117118.3 Ų118.355%0.54757%0.571SS.*Hα-helixtrans-68.1-39.9174.9-178.4152.6-157.500111.7K677 E678 R684 L685K677-E681 PolarHBondContact O-N 3.03Å; E678-E681 PolarHBondContact O-N 2.78Å; E681-R684 PolarHBondContact O-N 2.92Å; E681-L685 HydrophobicContact CG-CD1 4.35Å; E681-L685 WeakPolarHBondContact O-CB 3.36Å; E681-L685 PolarHBondContact O-N 3.03Å
682K81.6Confident78.7Confident151 Ų151118.9 Ų118.966%0.65759%0.585SS**Hα-helixtrans-60.3-45.9172.1-171.9173.6-178174.60112E678 R679 R684 L685 E686E678-K682 WeakPolarHBondContact O-CB 3.4Å; E678-K682 PolarHBondContact O-N 3.43Å; R679-K682 PolarHBondContact O-N 3.4Å; K682-R684 VanDerWaalsContact C-N 3.32Å; K682-R684 PolarHBondContact O-N 2.81Å; K682-L685 PolarHBondContact O-N 3.02Å; K682-E686 WeakPolarHBondContact O-CB 3.44Å; K682-E686 PolarHBondContact O-N 2.93Å
683E80.3Confident77.5Confident81 Ų81119.8 Ų119.838%0.37959%0.593SS.*Hα-helixtrans-65-35175.4-161.2-163.7125.600112R679 L680 E686 K687R679-E683 PolarHBondContact O-N 3.41Å; L680-E683 PolarHBondContact O-N 3.39Å; E683-E686 PolarHBondContact O-N 2.87Å; E683-K687 WeakPolarHBondContact O-CB 3.45Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 PolarHBondContact O-N 2.95Å; E683-K687 VanDerWaalsContact OE1-CE 3.25Å; E683-K687 WeakPolarHBondContact OE1-CE 3.33Å; E683-K687 IonicContact OE1-NZ 2.6Å; E683-K687 PolarHBondContact OE1-NZ 3.31Å
684R80Confident76.4Confident198 Ų198118.3 Ų118.375%0.74760%0.602SS**Hα-helixtrans-68.3-38.6174.7-172.7176.2-177171.31.3112.2L680 E681 K682 K688L680-R684 WeakPolarHBondContact O-CB 3.33Å; L680-R684 PolarHBondContact O-N 3.39Å; E681-R684 PolarHBondContact O-N 2.92Å; K682-R684 VanDerWaalsContact C-N 3.32Å; K682-R684 PolarHBondContact O-N 2.81Å; R684-K688 VanDerWaalsContact O-CB 3.31Å; R684-K688 WeakPolarHBondContact O-CB 3.35Å; R684-K688 PolarHBondContact O-N 3.2Å
685L77.3Confident75.2Confident110 Ų110115.4 Ų115.458%0.57660%0.603SS**Hα-helixtrans-64.1-43.8171.9-85.7161.3000111.2E681 K682 K688 A689E681-L685 HydrophobicContact CG-CD1 4.35Å; E681-L685 WeakPolarHBondContact O-CB 3.36Å; E681-L685 PolarHBondContact O-N 3.03Å; K682-L685 PolarHBondContact O-N 3.02Å; L685-K688 CarbonylContact O-C 3.51Å; L685-K688 PolarHBondContact O-N 2.94Å; L685-K688 VanDerWaalsContact O-N 3.17Å; L685-A689 PolarHBondContact O-N 2.85Å
686E77.8Confident73.7Confident135 Ų135116 Ų11663%0.63161%0.613SS**Hα-helixtrans-64-44.6176.9-169.8163.1-144.300111.9K682 E683 K688 A689 A690K682-E686 WeakPolarHBondContact O-CB 3.44Å; K682-E686 PolarHBondContact O-N 2.93Å; E683-E686 PolarHBondContact O-N 2.87Å; E686-K688 VanDerWaalsContact C-N 3.3Å; E686-K688 PolarHBondContact O-N 3.05Å; E686-A689 PolarHBondContact O-N 3.34Å; E686-A690 WeakPolarHBondContact O-CB 3.46Å; E686-A690 PolarHBondContact O-N 2.88Å
687K76.7Confident71.6Confident132 Ų132115.9 Ų115.957%0.57462%0.623SS**Hα-helixtrans-60.9-35.4170.6-81.2170.5170166.40112.9E683 A691E683-K687 WeakPolarHBondContact O-CB 3.45Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 PolarHBondContact O-N 2.95Å; E683-K687 VanDerWaalsContact OE1-CE 3.25Å; E683-K687 WeakPolarHBondContact OE1-CE 3.33Å; E683-K687 IonicContact OE1-NZ 2.6Å; E683-K687 PolarHBondContact OE1-NZ 3.31Å; K687-A691 WeakPolarHBondContact O-CB 3.36Å; K687-A691 PolarHBondContact O-N 3.29Å
688K74Confident69.8Low158 Ų158116.6 Ų116.669%0.68763%0.633SS**Hα-helixtrans-72.9-34.8176.6-162177.1-176.6-174.70112.1R684 L685 E686 A692R684-K688 VanDerWaalsContact O-CB 3.31Å; R684-K688 WeakPolarHBondContact O-CB 3.35Å; R684-K688 PolarHBondContact O-N 3.2Å; L685-K688 CarbonylContact O-C 3.51Å; L685-K688 PolarHBondContact O-N 2.94Å; L685-K688 VanDerWaalsContact O-N 3.17Å; E686-K688 VanDerWaalsContact C-N 3.3Å; E686-K688 PolarHBondContact O-N 3.05Å; K688-A692 PolarHBondContact O-N 3.31Å; K688-A692 VanDerWaalsContact O-N 3.07Å
689A74.1Confident67.8Low62 Ų62114.6 Ų114.651%0.51263%0.633SS.*Hα-helixtrans-67.5-42.9171.100000111.6L685 E686 A691 A692 A693L685-A689 PolarHBondContact O-N 2.85Å; E686-A689 PolarHBondContact O-N 3.34Å; A689-A691 PolarHBondContact O-N 3.46Å; A689-A692 PolarHBondContact O-N 3Å; A689-A693 PolarHBondContact O-N 2.63Å
690A71.3Confident65.8Low59 Ų59111.9 Ų111.949%0.48864%0.637SS.*Hα-helixtrans-61.6-40.7173.600000112.3E686 A692 A693 A694E686-A690 WeakPolarHBondContact O-CB 3.46Å; E686-A690 PolarHBondContact O-N 2.88Å; A690-A692 VanDerWaalsContact C-N 3.34Å; A690-A692 PolarHBondContact O-N 2.87Å; A690-A693 PolarHBondContact O-N 3Å; A690-A694 PolarHBondContact O-N 3.31Å
691A70.1Confident64.2Low67 Ų67112 Ų11255%0.55465%0.645SS**Hα-helixtrans-64.3-35.5174.200000112.9K687 A689K687-A691 WeakPolarHBondContact O-CB 3.36Å; K687-A691 PolarHBondContact O-N 3.29Å; A689-A691 PolarHBondContact O-N 3.46Å
692A63.1Low62.6Low72 Ų72113.9 Ų113.960%0.59566%0.657SS**Hα-helixtrans-69.1-38.2172.800000112.2K688 A689 A690 A694 A695K688-A692 PolarHBondContact O-N 3.31Å; K688-A692 VanDerWaalsContact O-N 3.07Å; A689-A692 PolarHBondContact O-N 3Å; A690-A692 VanDerWaalsContact C-N 3.34Å; A690-A692 PolarHBondContact O-N 2.87Å; A692-A694 VanDerWaalsContact C-N 3.33Å; A692-A694 PolarHBondContact O-N 3.38Å; A692-A695 WeakPolarHBondContact O-CB 3.42Å; A692-A695 PolarHBondContact O-N 2.91Å
693A61.5Low61.1Low74 Ų74112.1 Ų112.161%0.61266%0.661SS**Hα-helixtrans-66.9-31.9175.500000113A689 A690 A695A689-A693 PolarHBondContact O-N 2.63Å; A690-A693 PolarHBondContact O-N 3Å; A693-A695 PolarHBondContact O-N 3.18Å; A693-A695 VanDerWaalsContact O-N 3.17Å
694A61.4Low59.6Low85 Ų85113 Ų11370%0.70267%0.673SS**THydrogen-bonded Turntrans-67.6-9.6178.700000114.6A690 A692 N696A690-A694 PolarHBondContact O-N 3.31Å; A692-A694 VanDerWaalsContact C-N 3.33Å; A692-A694 PolarHBondContact O-N 3.38Å; A694-N696 VanDerWaalsContact C-N 3.31Å; A694-N696 PolarHBondContact O-N 2.82Å
695A56.4Low57.5Low83 Ų83109.8 Ų109.869%0.68668%0.676SS**THydrogen-bonded Turntrans-812.1-175.300000115.1A692 A693A692-A695 WeakPolarHBondContact O-CB 3.42Å; A692-A695 PolarHBondContact O-N 2.91Å; A693-A695 PolarHBondContact O-N 3.18Å; A693-A695 VanDerWaalsContact O-N 3.17Å
696N51Low55.4Low143 Ų143110.6 Ų110.677%0.76569%0.688SS**SBendtrans-142.8112-175.8-1513000112.2A694A694-N696 VanDerWaalsContact C-N 3.31Å; A694-N696 PolarHBondContact O-N 2.82Å
697P40.6Very low53.3Low123 Ų123109 Ų10980%0.79970%0.698SS**  trans-92112.1-17033.5-33000113.6
698N42.8Very low51.1Low158 Ų158109.2 Ų109.285%0.84571%0.711SS**  trans-150.4132.2151.7-149.817.8000110.1
699P39.8Very low49.4Very low100 Ų100106.5 Ų106.565%0.64971%0.709SS**  trans-102-171.3-167.639.8-35.8000114
700T42.4Very low47.5Very low136 Ų136111.7 Ų111.783%0.83472%0.723SS**  trans96.6139170.867.80000116.8
701P45.9Very low45.9Very low109 Ų109114.8 Ų114.871%0.70874%0.74SS**  trans-143.9-156.6-133.941.4-18.8000114.3
702I46.5Very low44.5Very low155 Ų155116.8 Ų116.880%0.79575%0.751SS**  trans80.3142.7162.3-73.9165000114.8
703P50.9Low43.4Very low114 Ų114117.6 Ų117.674%0.7476%0.757SS**  trans-115.1-127.4-156.135.4-11.4000107.7
704P48.2Very low42.3Very low99 Ų99122.8 Ų122.864%0.64377%0.768SS**  cis-139.3-158.93.244.5-23.2000115.2
705T34.8Very low40.8Very low131 Ų131127.3 Ų127.380%0.80478%0.775SS**  trans80.9130.8159.440.30000119
706P33.9Very low39.6Very low128 Ų128131.7 Ų131.783%0.83178%0.782SS**  trans-92.7155.6-176.237.9-35.3000112.6
707A33.9Very low38.8Very low102 Ų102131.2 Ų131.284%0.84379%0.786SS**  trans-125.4150.3169.600000111.3
708T30.3Very low38.1Very low136 Ų136132.2 Ų132.283%0.83478%0.783SS**  trans-67.1168.3-175.734.90000114.5
709P37.6Very low38.1Very low101 Ų101129.3 Ų129.366%0.65677%0.773SS**  trans-95.3-165.2-163.422-6.2000114.6
710H34.3Very low38.1Very low171 Ų171130.6 Ų130.679%0.79278%0.782SS**  trans97.784.9165.6-52.1-74.1000118.4
711S38.2Very low37.8Very low123 Ų123129.5 Ų129.586%0.8678%0.777SS**  trans-174.2148.8148.7-82.70000108.4
712S41.9Very low37.4Very low110 Ų110132 Ų13277%0.76978%0.783SS**  cis-172.1164.5-8.348.30000111
713A38.2Very low36.6Very low88 Ų88130.1 Ų130.173%0.72778%0.784SS**  trans80153.1158.100000120.9
714Q38.8Very low35.5Very low183 Ų183130.5 Ų130.586%0.85578%0.784SS**  trans58.683.1165-66.9170.4-20.400116.6
715Q30.4Very low34.4Very low181 Ų181133.7 Ų133.785%0.84679%0.791SS**  68.658.164.7-60.7-170-30.400117
716Q31.1Very low33.9Very low175 Ų175132.8 Ų132.882%0.81879%0.785SS**SBendtrans-132.8171.1142.4-78.1-155.3-20.800108
717P33.4Very low33.6Very low133 Ų133132 Ų13286%0.86478%0.783SS**  -61.6147.2-12927.4-37.2000116.3
718I26.3Very low33.3Very low143 Ų143131.3 Ų131.373%0.73378%0.777SS**  trans-120.2145.5-170.9-71.2175.6000108.7
719P42.4Very low33.3Very low98 Ų98132.4 Ų132.464%0.63677%0.772SS**  trans-97.4-170.9-156.740.5-39000113.6P721P719-P721 HydrophobicContact CG-CB 4.41Å
720P40Very low32.9Very low127 Ų127133.8 Ų133.883%0.82577%0.773SS**  trans-117.7142.8138.934.9-27.2000112.4
721P37.1Very low32.7Very low113 Ų113132.7 Ų132.773%0.73477%0.768SS**  trans-134.9179.3-149.739.4-19.2000116.6P719P719-P721 HydrophobicContact CG-CB 4.41Å
722L37.9Very low32.4Very low161 Ų161135 Ų13584%0.84377%0.765SS**  trans-63.6140159.2-146.884.5000110.7
723S29.1Very low32Very low116 Ų116135 Ų13581%0.81177%0.765SS**  trans173.8158.3139.4-83.70000115
724T28.1Very low31.7Very low122 Ų122134.9 Ų134.975%0.74876%0.764SS**  trans-81-175.8162.654.10000111.8
725Q24.6Very low31.3Very low166 Ų166135.2 Ų135.278%0.77677%0.766SS**  trans91.3114.8156-99.2174.4106.900120.4
726T24.5Very low31.5Very low112 Ų112135.3 Ų135.369%0.68777%0.766SS**  trans60114.413649.60000121.9
727S26.7Very low31.7Very low112 Ų112132.5 Ų132.578%0.78376%0.763SS**  83.2137123.9-58.80000120.6
728A29.1Very low31.6Very low86 Ų86130.2 Ų130.271%0.71175%0.751SS**  trans68.8139.6156.400000117
729E29.2Very low32Very low160 Ų160129.1 Ų129.175%0.74875%0.75SS**  cis-161.7158.7-7.2-125.4180114.700109.8
730I29.8Very low31.7Very low129 Ų129130.2 Ų130.266%0.66276%0.757SS**  trans66.8126.1155.5-63.3162000114.9
731Q30.3Very low31.2Very low148 Ų148129.7 Ų129.769%0.69275%0.752SS**  cis-151.1137.727-147.8139.321.200112.6
732Q31Very low30.9Very low171 Ų171130 Ų13080%0.79975%0.751SS**  trans30.9115.1141.6-57.5159.711.100117.2
733S33.9Very low30.5Very low110 Ų110130 Ų13077%0.76975%0.749SS**  cis-157.5131.247.851.50000111.4
734A31.2Very low30.4Very low86 Ų86131.7 Ų131.771%0.71175%0.748SS**  60.6127.882.800000114.4
735Q31.5Very low30.7Very low190 Ų190130.1 Ų130.189%0.88875%0.747SS**  cis-158.51477.7-118.4160.17.800112.5
736Q33.4Very low30.9Very low183 Ų183128.7 Ų128.786%0.85574%0.744SS**  trans-94.7157.2160.9-74-178.2-24.500110.8
737P37.1Very low31.3Very low116 Ų116129.6 Ų129.675%0.75374%0.744SS**  trans-120.8117137.21.420.4000110.3
738S30.7Very low31.8Very low86 Ų86129.7 Ų129.760%0.60174%0.741SS**  71.398.482.273.90000113.9
739V35.5Very low31.9Very low120 Ų120129.3 Ų129.373%0.72774%0.738SS**  48.2130.892.8-48.70000116.9V741V739-V741 HydrophobicContact CG2-CG2 4.05Å
740P34.7Very low32.3Very low120 Ų120130 Ų13078%0.77974%0.744SS**  -119.8144.5122.937.7-32.5000109.6
741V29.2Very low32.6Very low117 Ų117128.1 Ų128.171%0.70974%0.742SS**  cis71.5144.930.2-169.60000112.9V739V739-V741 HydrophobicContact CG2-CG2 4.05Å
742T32.2Very low33.1Very low118 Ų118126.6 Ų126.672%0.72475%0.745SS**  trans8297.9179.6-34.80000112.3
743M28.4Very low33.2Very low162 Ų162124.1 Ų124.180%0.79874%0.742SS**  91.4135.660.7-84.1-168.9175.900114.5
744I28.1Very low33.1Very low152 Ų152123.9 Ų123.978%0.77974%0.74SS**  trans76.8133.6148.9-67.8160.5000118.7
745A32.7Very low33.2Very low88 Ų88123.9 Ų123.973%0.72774%0.74SS**  trans72.3147.6158.600000120
746N29.7Very low33.1Very low136 Ų136123.5 Ų123.573%0.72774%0.738SS**  cis-167.2143-34.7-141.219.2000110.2
747I33.7Very low33.1Very low132 Ų132119.5 Ų119.568%0.67773%0.728SS**  trans40.5134.2139.6-68.1176.1000119.2
748P36.8Very low32.7Very low113 Ų113122 Ų12273%0.73473%0.73SS**  cis-116152.83211.713000114.1
749A30.3Very low32.8Very low78 Ų78123 Ų12365%0.64573%0.734SS**  64.813458.800000112.2
750M37.6Very low32.4Very low175 Ų175123.4 Ų123.486%0.86274%0.737SS**  cis-136.9151.226.2-62159.447.700110.4
751S36.2Very low32.4Very low89 Ų89125 Ų12562%0.62274%0.738SS**  cis74.3144.713.6840000118
752P41.1Very low32.4Very low116 Ų116124.6 Ų124.675%0.75374%0.741SS**  cis-97.5-125.5-9.317.65.5000109.5
753T32.9Very low32.5Very low120 Ų120124.3 Ų124.374%0.73674%0.741SS**  cis-168.3165-5.2-4.60000105.6
754S31.7Very low32.7Very low105 Ų105122.3 Ų122.373%0.73474%0.737SS**  cis-165176.5-9.3-150.60000108.7
755A34.7Very low32.9Very low86 Ų86120.4 Ų120.471%0.71174%0.738SS**  trans58.5125.8158.600000118.6
756Q29Very low33Very low181 Ų181120.1 Ų120.185%0.84674%0.736SS**  cis63.2137.24.7-138.9-1511300116.5
757P33.6Very low33.2Very low99 Ų99117.7 Ų117.764%0.64373%0.734SS**  cis-122.2-153.3-45.931.8-12.7000110.5
758Q27.1Very low33.2Very low168 Ų168118 Ų11879%0.78574%0.742SS**  trans109.9138.9156.4-64.4-74.4-67.700116.6
759P32.6Very low33Very low108 Ų108118 Ų11870%0.70174%0.742SS**  trans-95.1143.5178.337-32.3000112
760V28.2Very low33.2Very low128 Ų128120 Ų12078%0.77675%0.746SS**  trans-153.8128.4161.2-970000112.4
761L33.9Very low33Very low153 Ų153116.5 Ų116.580%0.80174%0.736SS**  trans59.9105137.6-57.5172.2000119.1
762S29.6Very low32.8Very low110 Ų110117.1 Ų117.177%0.76974%0.736SS**  trans-49.4148.2135.949.20000111.1
763P35.6Very low32.4Very low112 Ų112114.9 Ų114.973%0.72772%0.721SS**  -140.6177.392.545-32.7000111.2
764T31.5Very low32.4Very low119 Ų119114.5 Ų114.573%0.7371%0.712SS**  cis-159.6166.67.7-10.80000109
765S33.6Very low32.3Very low113 Ų113114 Ų11479%0.7970%0.7SS**  trans40.9147.3141.8-66.60000122.3
766A34.6Very low32.1Very low82 Ų82117.5 Ų117.568%0.67870%0.702SS**  cis-164.9141.4-2.200000107.7
767A33.9Very low32.2Very low85 Ų85113.8 Ų113.870%0.70269%0.691SS**  47.2108.799.800000113.9
768V32.3Very low32.2Very low138 Ų138115.1 Ų115.184%0.83670%0.699SS**  63.8117.482.2172.90000110.2
769P33.7Very low32.3Very low112 Ų112114.8 Ų114.873%0.72770%0.695SS**  -148.2176.159.542.4-23.8000118.6
770V33.6Very low32.6Very low121 Ų121115 Ų11573%0.73370%0.697SS**  trans-47.3149.6149.1-99.20000111.6
771P33.2Very low32.7Very low102 Ų102113 Ų11366%0.66269%0.688SS**  -154.6161.962.143-22.5000119.9
772T32.8Very low32.7Very low101 Ų101113.7 Ų113.762%0.6269%0.687SS**  38.4109.3129.3-450000121
773T32.8Very low32.9Very low70 Ų70115 Ų11543%0.42969%0.685SS.*  trans74155.2143.866.30000122.5S1453T773-S1453 PolarHBondContact N-O 3.04Å
774M32Very low32.9Very low112 Ų112115 Ų11555%0.55268%0.684SS**  trans86.4113.9154.1-61.1-142.6161.100121.1
775I30.1Very low32.9Very low95 Ų95114.4 Ų114.449%0.48768%0.681SS.*  74.1124.3123.3-63.2170.4000120.3V1450 E1451I775-V1450 HydrophobicContact CD1-CG1 4.39Å; I775-E1451 VanDerWaalsContact CA-OE2 3.3Å; I775-E1451 WeakPolarHBondContact CA-OE2 3.36Å; I775-E1451 VanDerWaalsContact CG1-OE2 3.25Å; I775-E1451 WeakPolarHBondContact CG1-OE2 3.38Å
776H30.3Very low32.9Very low159 Ų159116.6 Ų116.674%0.73668%0.678SS**  trans92.6103.6153.2-12560.1000122
777V30.8Very low32.6Very low102 Ų102119.7 Ų119.762%0.61868%0.683SS**  trans-14.1141.4131-1790000116K779V777-K779 HydrophobicContact CG1-CB 4.18Å
778P33.4Very low32.5Very low127 Ų127121.9 Ų121.983%0.82569%0.688SS**  trans-122.5146.8131.335.6-30.9000113.1
779K29.2Very low32.3Very low161 Ų161119.2 Ų119.270%0.768%0.68SS**  trans-134.3133.7-178.1166.3-177172.1179.70111.3V777 S781V777-K779 HydrophobicContact CG1-CB 4.18Å; K779-S781 PolarHBondContact O-OG 3.44Å; K779-S781 VanDerWaalsContact O-OG 3.1Å
780P39.6Very low32.2Very low113 Ų113119.3 Ų119.373%0.73468%0.679SS**  trans-83.6133.9151.4-5.325000109.8
781S30.9Very low32.1Very low85 Ų85119.7 Ų119.759%0.59468%0.681SS**  cis71.7124.324.1-40.70000110.4K779K779-S781 PolarHBondContact O-OG 3.44Å; K779-S781 VanDerWaalsContact O-OG 3.1Å
782E33.9Very low32.1Very low168 Ų168118.9 Ų118.979%0.78568%0.684SS**  cis-143.5144.924.6-75.9-166.6100.300111.2
783I34.4Very low32Very low138 Ų138118.4 Ų118.471%0.70869%0.69SS**  64.814177.4-55.3165.2000112.8
784P35.4Very low32.4Very low111 Ų111120.6 Ų120.672%0.72171%0.705SS**  cis-109-142.2-3.621.23.5000111.6
785V31.6Very low32.3Very low108 Ų108121.7 Ų121.766%0.65572%0.718SS**  cis-154.6159.86.4-132.70000112.7
786Q32.5Very low32.5Very low158 Ų158121.1 Ų121.174%0.73873%0.728SS**  trans42.7113148.3-77.9162.6500121.1
787N28.3Very low32.7Very low147 Ų147117.6 Ų117.679%0.78673%0.726SS**  72.5130.589.8-64.913.9000112.9
788V31.7Very low32.9Very low132 Ų132119.7 Ų119.780%0.873%0.733SS**  cis-139.2163.936.6174.10000112.2
789A29.3Very low32.8Very low81 Ų81120.4 Ų120.467%0.66973%0.73SS**  trans-58-176.4171.300000114
790T31.4Very low33Very low114 Ų114119.4 Ų119.470%0.69974%0.737SS**  cis-170162.240.2-21.50000112.3
791T30.8Very low32.8Very low129 Ų129119 Ų11979%0.79174%0.735SS**  trans14.4147.6145.651.50000120.8
792A33.3Very low33.3Very low86 Ų86120.6 Ų120.671%0.71174%0.743SS**  cis-163.21606.200000107.2
793A31.2Very low33.3Very low90 Ų90118 Ų11874%0.74474%0.743SS**  cis64.515046.600000114.7
794P40.7Very low33.2Very low117 Ų117117.2 Ų117.276%0.7675%0.747SS**  cis-134-138.1-38.737.4-18.6000111
795V30.4Very low33.1Very low135 Ų135115.8 Ų115.882%0.81875%0.745SS**  trans80.6126.1168.3-174.10000115.8
796A33.4Very low33.2Very low83 Ų83116.6 Ų116.669%0.68675%0.752SS**  cis-165.1168.3-13.800000112
797A34.5Very low33Very low84 Ų84118.3 Ų118.369%0.69476%0.758SS**  trans48.5134.2143.500000120.9
798N35Very low33.1Very low146 Ų146120.8 Ų120.878%0.78176%0.762SS**  cis-148.3146.7-5.1-81.3-28.1000105.7
799N30.8Very low33Very low143 Ų143120.2 Ų120.277%0.76576%0.758SS**  cis72.480.231.2-151.635.9000115.3
800V34.4Very low33.1Very low139 Ų139125.3 Ų125.384%0.84277%0.768SS**  trans-133.5134.1151.5178.90000106.5
801P35.3Very low33Very low105 Ų105127 Ų12768%0.68277%0.773SS**  trans-100.5172.4-155.639-37.5000115.3
802P40.7Very low33Very low118 Ų118127 Ų12777%0.76677%0.767SS**  trans-81.7161.717434.6-37.3000113.9
803S34.4Very low32.8Very low113 Ų113131 Ų13179%0.7977%0.771SS**  trans42.2124.1155.2-143.90000119.1
804P33Very low32.6Very low122 Ų122131.9 Ų131.979%0.79277%0.767SS**  -145.1170.885.139.3-24.6000115.6
805A32.1Very low32.1Very low82 Ų82132.8 Ų132.868%0.67877%0.773SS**  trans-74.2164.2163.400000111.6
806P34Very low32.1Very low124 Ų124131.5 Ų131.581%0.80577%0.766SS**  -133.9156.2119.837.6-30.5000113.9
807F28.2Very low32Very low194 Ų194135.5 Ų135.585%0.85178%0.775SS**  trans-73.2139.3170.2-76.4-104.9000112
808K30.1Very low31.8Very low200 Ų200136 Ų13687%0.8778%0.779SS**  trans-167110.6132.8-100.7155.9-175-179.90107
809T30.2Very low31.5Very low119 Ų119137.5 Ų137.573%0.7378%0.781SS**  77.680.169.2-56.60000111.5
810E31.2Very low31.4Very low189 Ų189137.3 Ų137.388%0.88378%0.78SS**  trans173.5139.3156.7-101.4169.6-157.500105.7
811D30.2Very low31.1Very low149 Ų149136.8 Ų136.880%0.79778%0.777SS**  cis-155.6-175.3-42-148-47.9000106.9
812I30.9Very low30.8Very low129 Ų129138.6 Ų138.666%0.66279%0.786SS**  trans77.298.5167.2-56.3175.1000117.7
813Q28.1Very low30.4Very low171 Ų171137.9 Ų137.980%0.79978%0.781SS**  trans77.886.7139.1-64.2175.31700121.4
814T27.8Very low30.3Very low108 Ų108144.5 Ų144.566%0.66379%0.789SS**  trans-31.2160.5131.453.60000115.9
815P30.4Very low30.1Very low135 Ų135144.4 Ų144.488%0.87779%0.786SS**  -118.5117.2102.733-33.6000113.3
816T28.6Very low29.9Very low109 Ų109147.5 Ų147.567%0.66979%0.79SS**  trans-73.5155.6167.9-9.80000110.4
817L31.1Very low29.8Very low167 Ų167146.3 Ų146.387%0.87479%0.785SS**  trans-19.7128.4138.3-169.986.8000114.6
818A31.4Very low29.9Very low94 Ų94143 Ų14378%0.77778%0.78SS**  trans-167.6148.2149.400000113
819Q28Very low30Very low177 Ų177140.8 Ų140.883%0.82778%0.778SS**  trans-82.6179.6153.3-66.9163.1-38.500109.4
820N29.1Very low30.2Very low139 Ų139139.1 Ų139.174%0.74378%0.776SS**  trans73.1107.6166.9-59.4-24.3000119.2
821T27.4Very low30.4Very low129 Ų129135.5 Ų135.579%0.79177%0.772SS**  43101.7108.5-470000119.5
822V30.7Very low30.4Very low142 Ų142131.6 Ų131.686%0.86177%0.767SS**  trans-149.1147.2136.6-108.30000110.7
823P30.7Very low30.5Very low103 Ų103133 Ų13367%0.66978%0.775SS**  trans-104167.3-165.739.6-36000115
824R33Very low30.5Very low252 Ų252130.5 Ų130.595%0.95177%0.771SS**  trans-133.490.4153.4-81.8-166.9171.7-178.9-2.1112.5
825T28.4Very low30.5Very low120 Ų120131.8 Ų131.874%0.73677%0.773SS**  trans-46.3158.7145.4-7.70000110
826I29.2Very low30.4Very low148 Ų148131.7 Ų131.776%0.75977%0.765SS**  cis-143.913825.2-47.9164.6000106.3
827S31Very low30.3Very low99 Ų99132.4 Ų132.469%0.69277%0.769SS**  -170.5141.176.8-53.40000113.6
828T30.7Very low30.6Very low124 Ų124130.4 Ų130.476%0.76177%0.766SS**  trans20.9139.5144.756.30000120.5
829D31.9Very low30.6Very low154 Ų154130.9 Ų130.982%0.82477%0.77SS**  cis-151.6177.931-140.3-24.8000115.8
830A33.3Very low30.8Very low83 Ų83127.9 Ų127.969%0.68677%0.768SS**  trans-58.5165.9-17100000117.1
831S36.5Very low30.7Very low114 Ų114128.9 Ų128.980%0.79777%0.772SS**  cis-141.6164.39.9-520000109.4
832G31Very low30.9Very low67 Ų67127.3 Ų127.369%0.69177%0.772SS**  75128.556.900000111.9
833L31.2Very low31Very low159 Ų159126.1 Ų126.183%0.83277%0.77SS**  cis-158147.57.9-12670.2000107.9
834V29.8Very low31.3Very low117 Ų117127.4 Ų127.471%0.70978%0.778SS**  61.4136.896.7162.70000115.5
835I27.7Very low31.3Very low136 Ų136120.5 Ų120.570%0.69777%0.769SS**  cis-166.5162-11.8-118.9170.5000110.1
836N27.5Very low31.7Very low133 Ų133120.7 Ų120.771%0.71177%0.772SS**  trans35.9127.5159.1-62.47.4000124.8
837T27.7Very low31.9Very low124 Ų124117.7 Ų117.776%0.76177%0.77SS**  4.9160.9129.961.20000122.1
838P37Very low32.2Very low124 Ų124118.3 Ų118.381%0.80577%0.771SS**  cis-138.9-142.8-36.841.7-21.9000111.6
839A30.9Very low32.2Very low104 Ų104117.6 Ų117.686%0.8677%0.771SS**  trans89.4172.4173.500000117.4
840S31.2Very low32.3Very low114 Ų114114.5 Ų114.580%0.79777%0.767SS**  trans-143.5179-143.5-169.40000115.1
841I28.8Very low32.2Very low161 Ų161115.9 Ų115.983%0.82677%0.767SS**  trans109.4140.1160.1-61170.4000117.9
842A31Very low31.9Very low96 Ų96117.1 Ų117.179%0.79377%0.765SS**  trans82.3105.8163.800000121.1
843S33.6Very low32Very low117 Ų117120.1 Ų120.182%0.81877%0.769SS**  trans-80.1172.9155.4-38.50000110.9
844P36.2Very low32.1Very low129 Ų129116.5 Ų116.584%0.83876%0.763SS**  -147.2174.473.937.9-17.9000117.1
845S33.4Very low32.1Very low107 Ų107115.8 Ų115.875%0.74876%0.762SS**  trans-77.1169170.8-141.50000111.6
846P36.6Very low32.2Very low125 Ų125114.9 Ų114.981%0.81276%0.763SS**  -144.2173.266.538.3-18.5000117.9
847A33.4Very low32.5Very low85 Ų85114.9 Ų114.970%0.70277%0.768SS**  trans-76.6-158.8174.300000111.9
848P37.6Very low32.7Very low112 Ų112113.1 Ų113.173%0.72777%0.767SS**  cis-147.3-1736.343.5-22000118.7
849S30.9Very low32.6Very low109 Ų109113.1 Ų113.176%0.76277%0.767SS**  trans92.6148.2138.7-69.90000123.3
850A33.8Very low32.9Very low89 Ų89115 Ų11574%0.73677%0.767SS**  trans80.2134.4143.200000120.6
851T31.6Very low32.9Very low112 Ų112115.5 Ų115.569%0.68777%0.766SS**  cis-167.4152.8-31-1.10000109.7
852D29.7Very low33.2Very low140 Ų140113.2 Ų113.275%0.74976%0.761SS**  trans59.4173.3151.1-54.2-33000118.1
853V33.6Very low33.1Very low129 Ų129113.3 Ų113.378%0.78276%0.762SS**  cis-145.2153.62.8-141.10000110.1
854A32.3Very low33.4Very low84 Ų84113.4 Ų113.469%0.69476%0.76SS**  trans62.6154.3138.100000120.9
855S29.8Very low33.1Very low101 Ų101114 Ų11471%0.70676%0.761SS**  cis-169.2137.7-17.8-107.20000113.5
856T29.1Very low33.2Very low117 Ų117114 Ų11472%0.71876%0.759SS**  69.2151.5129.4-41.20000121
857T34.9Very low33.1Very low133 Ų133114.6 Ų114.682%0.81676%0.76SS**  trans81143.2169730000118.1
858A31Very low32.7Very low88 Ų88116.1 Ų116.173%0.72776%0.761SS**  cis-171.3152.7-31.500000108.3
859P35.7Very low32.2Very low123 Ų123116.3 Ų116.380%0.79976%0.76SS**  trans-98.4154.8-173.737.5-34.7000114.7
860V36.5Very low32.1Very low145 Ų145116.9 Ų116.988%0.87976%0.759SS**  trans-140.3100.1168.8-177.80000111.2
861T32.3Very low31.9Very low124 Ų124119.4 Ų119.476%0.76176%0.76SS**  trans-68.6164.9150.622.90000109.7
862P35.1Very low31.8Very low113 Ų113118 Ų11873%0.73477%0.767SS**  cis-153.6157.937.543-21.7000120.3
863A28.7Very low31.7Very low97 Ų97115 Ų11580%0.80277%0.77SS**  trans64.8169.8130.500000121.9
864P40Very low31.5Very low119 Ų119113.5 Ų113.577%0.77377%0.771SS**  trans-123175.8-162.844-32.6000116
865T30.2Very low31.2Very low142 Ų142114.4 Ų114.487%0.87178%0.778SS**  trans-154.9145.9152.411.30000112.3
866P35.3Very low31Very low107 Ų107114.2 Ų114.270%0.69578%0.783SS**  trans-109150.6175.738.5-31.6000114.6
867T33Very low31Very low138 Ų138112.9 Ų112.985%0.84778%0.784SS**  trans-148.3113.4161.849.10000106.5
868T25.8Very low30.6Very low116 Ų116111.9 Ų111.971%0.71278%0.782SS**  cis78.7127.740.3-42.70000112.5
869T27.7Very low30.5Very low116 Ų116114.3 Ų114.371%0.71279%0.789SS**  trans70146.5174.94.40000114.1
870T29Very low30.1Very low121 Ų121114 Ų11474%0.74279%0.785SS**  cis-144.2135.720.3-51.60000114.1
871D28.7Very low29.7Very low143 Ų143113 Ų11377%0.76578%0.779SS**  trans-12.2163.7158.8-51.2-81.2000123.6
872G28.5Very low29.5Very low81 Ų81114.7 Ų114.784%0.83578%0.778SS**  trans16393.9139.100000118.8
873G29.4Very low29.2Very low77 Ų77115.2 Ų115.279%0.79478%0.775SS**  trans104.484.9162.500000115.5
874A27.5Very low29.4Very low99 Ų99119.3 Ų119.382%0.81877%0.774SS**  71.7106.371.800000112.6
875A26.8Very low28.9Very low102 Ų102122 Ų12284%0.84378%0.777SS**  91.3141.677.600000112.4
876A26.6Very low28.9Very low98 Ų98122.4 Ų122.481%0.8177%0.769SS**  cis-167.7-167-9.100000109.9
877A27.8Very low28.5Very low88 Ų88127.2 Ų127.273%0.72778%0.779SS**  trans8073.6158.200000119.8
878S27.5Very low28.7Very low112 Ų112130.7 Ų130.778%0.78378%0.776SS**  25.3128.2119.261.90000121.3
879T27.6Very low29.1Very low140 Ų140134.9 Ų134.986%0.85979%0.785SS**  -150148.8128.5-6.50000113.7
880T27.9Very low29.3Very low117 Ų117133.8 Ų133.872%0.71878%0.782SS**  trans-57.8152.2170.145.20000113.4
881T27.9Very low29.7Very low123 Ų123135.3 Ų135.376%0.75579%0.786SS**  -175.214186.8260000115.7
882E28.3Very low30.4Very low159 Ų159134.4 Ų134.474%0.74378%0.775SS**  trans62.3106135.3-61-142.915600125.3
883N28.7Very low32.1Very low125 Ų125138.2 Ų138.267%0.66876%0.764SS**  100.2132109.4-73.6-27.5000124.1
884K32.5Very low34.5Very low182 Ų182139.7 Ų139.779%0.79175%0.749SS**  trans74.4102.2161.1-71.4172.3178168.70118.5
885E31.1Very low37.4Very low176 Ų176135 Ų13582%0.82271%0.71SS**  64.586.960-164-175.4-165.200110.8
886E28.6Very low40.5Very low151 Ų151130.9 Ų130.971%0.70667%0.674SS**  cis75.3122.736.4-162.1-179.6-139.200115.9R888E886-R888 HydrophobicContact CG-CB 4.25Å
887K28.6Very low43.7Very low208 Ų208126.2 Ų126.290%0.90464%0.635SS**  trans-144.138.7163.3-152.4165.3-170.7165.60113.3K889K887-K889 PolarHBondContact O-N 2.75Å
888R35.4Very low46.8Very low210 Ų210123.7 Ų123.779%0.79261%0.608SS**  trans-76.8110.7178.3-78.2-179.4162.9179.1-3.9110.6E886 S890E886-R888 HydrophobicContact CG-CB 4.25Å; R888-S890 VanDerWaalsContact C-N 3.31Å; R888-S890 PolarHBondContact O-N 2.93Å
889K34Very low50Low204 Ų204118.4 Ų118.489%0.88757%0.571SS**  trans-78.178.2177.4-168168.8-175.2170.20110.9K887 N891K887-K889 PolarHBondContact O-N 2.75Å; K889-N891 PolarHBondContact O-N 3.5Å
890S32.1Very low53Low94 Ų94115.3 Ų115.366%0.65755%0.549SS*.  trans-69.1114.1-178.4530000112R888 K892R888-S890 VanDerWaalsContact C-N 3.31Å; R888-S890 PolarHBondContact O-N 2.93Å; S890-K892 VanDerWaalsContact C-N 3.29Å; S890-K892 PolarHBondContact O-N 3.33Å
891N37.9Very low55.9Low153 Ų153110.6 Ų110.682%0.81852%0.524SS*.  trans-71.886.6166.1-86.6-2.1000108.8K889 R893K889-N891 PolarHBondContact O-N 3.5Å; N891-R893 PolarHBondContact O-N 2.83Å
892K44.1Very low58.5Low124 Ų124106.2 Ų106.254%0.53950%0.498SS..  trans-51.8128.6169.2-70.9-157.6169.5-1400109.3S890 K894 V980 D982S890-K892 VanDerWaalsContact C-N 3.29Å; S890-K892 PolarHBondContact O-N 3.33Å; K892-K894 PolarHBondContact O-N 3.3Å; K892-V980 HydrophobicContact CB-CG1 4.23Å; K892-V980 HydrophobicContact CD-CG1 3.94Å; K892-D982 IonicContact NZ-OD1 2.67Å; K892-D982 PolarHBondContact NZ-OD1 3.43Å; K892-D982 IonicContact NZ-OD2 3.24Å; K892-D982 PolarHBondContact NZ-OD2 3.3Å
893R63.7Low61Low160 Ų160100.5 Ų100.560%0.60447%0.473SS*.EExtended strand (participates in β ladder)trans-72.391.2-174.7-68.7-179.3-174.3-176.23.4109.3N891 L981N891-R893 PolarHBondContact O-N 2.83Å; R893-L981 HydrophobicContact CB-CB 3.99Å; R893-L981 HydrophobicContact CB-CD1 4.04Å; R893-L981 WeakPolarHBondContact O-CB 3.33Å; R893-L981 PolarHBondContact O-N 2.75Å
894K79.9Confident62.9Low109 Ų10999.5 Ų99.547%0.47446%0.464SS..EExtended strand (participates in β ladder)trans-96129.4-177.9-158.8-179.4-178.8174.20110.3K892 V896 A978 T979 V980K892-K894 PolarHBondContact O-N 3.3Å; K894-V896 HydrophobicContact CB-CG2 4.45Å; K894-V896 HydrophobicContact CD-CG2 3.74Å; K894-V896 HydrophobicContact CG-CG2 3.67Å; K894-A978 VanDerWaalsContact CE-CB 3.43Å; K894-T979 WeakPolarHBondContact CA-O 3.48Å; K894-V980 HydrophobicContact CG-CG2 4.29Å
895V88.3Confident64.1Low1 Ų195.7 Ų95.71%0.00646%0.46CS..EExtended strand (participates in β ladder)trans-106.6125.1168.6179.60000107.5L915 H950 I953 V954 Q957 T979 L981V895-L915 HydrophobicContact CG1-CD1 3.94Å; V895-H950 HydrophobicContact CG2-CB 4.5Å; V895-I953 HydrophobicContact CB-CG2 4Å; V895-I953 HydrophobicContact CG1-CG2 3.97Å; V895-I953 HydrophobicContact CG2-CG2 4.47Å; V895-V954 HydrophobicContact CG1-CG2 4.29Å; V895-Q957 PolarHBondContact O-NE2 2.97Å; V895-T979 PolarHBondContact N-O 3.29Å; V895-T979 PolarHBondContact O-N 2.95Å; V895-L981 HydrophobicContact CG2-CD1 4.13Å
896V92.4Very high65.6Low14 Ų1494.2 Ų94.29%0.08545%0.447CS..EExtended strand (participates in β ladder)trans-129.2132.2-170.9178.80000110.1K894 L915 D916 K976 L977 A978K894-V896 HydrophobicContact CB-CG2 4.45Å; K894-V896 HydrophobicContact CD-CG2 3.74Å; K894-V896 HydrophobicContact CG-CG2 3.67Å; V896-L915 CarbonylContact O-C 3.5Å; V896-L915 WeakPolarHBondContact O-CA 3.36Å; V896-D916 HydrophobicContact CB-CB 4.27Å; V896-D916 PolarHBondContact N-O 2.85Å; V896-D916 PolarHBondContact O-N 3.47Å; V896-K976 HydrophobicContact CG1-CD 4.17Å; V896-K976 VanDerWaalsContact CG1-CE 3.44Å; V896-K976 HydrophobicContact CG1-CG 3.66Å; V896-L977 CarbonylContact C-O 3.56Å; V896-L977 VanDerWaalsContact CA-O 3.31Å; V896-L977 WeakPolarHBondContact CA-O 3.38Å; V896-A978 HydrophobicContact CG2-CB 4.4Å
897M93.5Very high67.4Low0 Ų094.7 Ų94.70%045%0.454CS..EExtended strand (participates in β ladder)trans-126.5126.9175.9-166.9-178.2-58.200109.7C913 R914 L915 V954 Q957 L958 V961 K976 L977M897-C913 HydrophobicContact CG-CB 4.34Å; M897-R914 CarbonylContact C-O 3.6Å; M897-R914 WeakPolarHBondContact CA-O 3.35Å; M897-L915 HydrophobicContact CE-CD1 4.28Å; M897-V954 HydrophobicContact CE-CB 4.3Å; M897-V954 HydrophobicContact CE-CG1 3.84Å; M897-V954 HydrophobicContact CE-CG2 4.19Å; M897-Q957 HydrophobicContact CB-CB 4.49Å; M897-Q957 HydrophobicContact CE-CB 3.59Å; M897-Q957 HydrophobicContact SD-CB 4.12Å; M897-L958 HydrophobicContact CE-CD2 4.42Å; M897-L958 HydrophobicContact CE-CG 4.04Å; M897-L958 HydrophobicContact SD-CD2 4.07Å; M897-L958 HydrophobicContact SD-CG 4.24Å; M897-V961 HydrophobicContact SD-CG2 3.88Å; M897-K976 CarbonylContact O-C 3.53Å; M897-K976 WeakPolarHBondContact O-CA 3.41Å; M897-L977 HydrophobicContact CB-CB 4.44Å; M897-L977 PolarHBondContact N-O 2.79Å; M897-L977 PolarHBondContact O-N 2.77Å
898E93.7Very high69.2Low35 Ų3591.2 Ų91.216%0.16444%0.44CS..EExtended strand (participates in β ladder)trans-124.4120.3-173.5-169.9177.5105.900109.1L900 C913 R914 T975 K976E898-L900 PolarHBondContact O-N 2.87Å; E898-C913 CarbonylContact O-C 3.59Å; E898-C913 WeakPolarHBondContact O-CA 3.43Å; E898-R914 PolarHBondContact N-O 2.79Å; E898-R914 PolarHBondContact O-N 3Å; E898-R914 IonicContact OE1-CZ 2.66Å; E898-R914 VanDerWaalsContact OE1-CZ 3.26Å; E898-R914 IonicContact OE1-NH1 3.91Å; E898-R914 PolarHBondContact OE1-NH1 3.47Å; E898-R914 IonicContact OE1-NH2 3.03Å; E898-R914 PolarHBondContact OE1-NH2 2.79Å; E898-R914 IonicContact OE2-CZ 3.21Å; E898-R914 IonicContact OE2-NH1 2.69Å; E898-R914 IonicContact OE2-NH2 2.82Å; E898-R914 PolarHBondContact OE2-NH2 2.81Å; E898-T975 WeakPolarHBondContact CA-O 3.48Å; E898-K976 HydrophobicContact CB-CG 4.39Å; E898-K976 HydrophobicContact CG-CB 4.44Å; E898-K976 HydrophobicContact CG-CG 4.43Å; E898-K976 WeakPolarHBondContact OE2-CD 3.35Å; E898-K976 WeakPolarHBondContact OE2-CE 3.47Å; E898-K976 IonicContact OE2-NZ 2.73Å; E898-K976 PolarHBondContact OE2-NZ 3.36Å
899I93Very high71Confident1 Ų183.1 Ų83.11%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-74118.8177.7-58.2168.8000107.9V961 L964 I965 G972 G974 T975I899-V961 HydrophobicContact CD1-CB 4.42Å; I899-V961 HydrophobicContact CD1-CG1 3.93Å; I899-V961 HydrophobicContact CD1-CG2 4.04Å; I899-V961 HydrophobicContact CG1-CG1 4.06Å; I899-V961 HydrophobicContact CG1-CG2 4Å; I899-L964 HydrophobicContact CD1-CD2 3.94Å; I899-I965 HydrophobicContact CD1-CD1 4.14Å; I899-I965 HydrophobicContact CD1-CG1 4.42Å; I899-I965 HydrophobicContact CG2-CD1 4.24Å; I899-G972 WeakPolarHBondContact CB-O 3.5Å; I899-G972 VanDerWaalsContact CD1-O 3.31Å; I899-G972 WeakPolarHBondContact CD1-O 3.29Å; I899-G974 WeakPolarHBondContact O-CA 3.31Å; I899-G974 PolarHBondContact O-N 2.8Å; I899-T975 PolarHBondContact N-O 3.26Å
900L91.1Very high73.6Confident75 Ų7575 Ų7539%0.39338%0.384SS..EExtended strand (participates in β ladder)trans-87.4-28.1-178.1-62-178.1000113.2E898 S912 R914 T923E898-L900 PolarHBondContact O-N 2.87Å; L900-S912 PolarHBondContact N-O 3.44Å; L900-R914 HydrophobicContact CD1-CB 4.08Å; L900-R914 HydrophobicContact CD2-CB 4.01Å; L900-R914 HydrophobicContact CG-CB 4.09Å; L900-T923 HydrophobicContact CD1-CG2 3.78Å
901G88.1Confident76.3Confident18 Ų1870.5 Ų70.519%0.18635%0.352CS..EExtended strand (participates in β ladder)trans171.4162.3-175.700000112.5S912G901-S912 PolarHBondContact N-O 3.1Å; G901-S912 PolarHBondContact O-N 3.1Å
902C84Confident78.9Confident32 Ų3264.2 Ų64.222%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-123.5117.4171.5-166.90000108.3L910C902-L910 WeakPolarHBondContact CA-O 3.32Å
903D79.3Confident81.3Confident39 Ų3958.4 Ų58.421%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-92.1101176177.913.8000109.1S905 R906 A909 L910D903-S905 VanDerWaalsContact C-N 3.33Å; D903-S905 VanDerWaalsContact OD1-CB 3.24Å; D903-S905 WeakPolarHBondContact OD1-CB 3.39Å; D903-S905 PolarHBondContact OD1-N 2.83Å; D903-S905 PolarHBondContact OD1-OG 3.34Å; D903-R906 IonicContact OD2-CZ 3.47Å; D903-R906 IonicContact OD2-NE 3.26Å; D903-R906 PolarHBondContact OD2-NE 2.94Å; D903-R906 IonicContact OD2-NH2 2.69Å; D903-R906 PolarHBondContact OD2-NH2 3.21Å; D903-A909 WeakPolarHBondContact O-CA 3.24Å; D903-L910 HydrophobicContact CB-CB 4.25Å; D903-L910 PolarHBondContact N-O 3Å; D903-L910 PolarHBondContact O-N 3.01Å
904E70.4Confident82.8Confident104 Ų10453.5 Ų53.549%0.48628%0.277SS..  trans-85.81.2176.1-64.4178.8165.400113.1R906 K970E904-R906 PolarHBondContact O-N 2.94Å; E904-K970 WeakPolarHBondContact OE1-CE 3.21Å; E904-K970 IonicContact OE1-NZ 3.45Å; E904-K970 WeakPolarHBondContact OE2-CE 3.31Å; E904-K970 IonicContact OE2-NZ 3.83Å; E904-K970 PolarHBondContact OE2-NZ 3.32Å
905S57Low83.5Confident101 Ų10148.3 Ų48.371%0.70625%0.254SS*.SBendtrans-77.43-172.471.40000115.1D903D903-S905 VanDerWaalsContact C-N 3.33Å; D903-S905 VanDerWaalsContact OD1-CB 3.24Å; D903-S905 WeakPolarHBondContact OD1-CB 3.39Å; D903-S905 PolarHBondContact OD1-N 2.83Å; D903-S905 PolarHBondContact OD1-OG 3.34Å
906R63.1Low83.7Confident146 Ų14649.9 Ų49.955%0.55126%0.262SS*.SBendtrans-128.8161-173.6-46.7-172.7-155.3-154.81.2110.9D903 E904 F908D903-R906 IonicContact OD2-CZ 3.47Å; D903-R906 IonicContact OD2-NE 3.26Å; D903-R906 PolarHBondContact OD2-NE 2.94Å; D903-R906 IonicContact OD2-NH2 2.69Å; D903-R906 PolarHBondContact OD2-NH2 3.21Å; E904-R906 PolarHBondContact O-N 2.94Å; R906-F908 CarbonylContact O-C 3.47Å; R906-F908 PolarHBondContact O-N 3.31Å
907N65.5Low83.5Confident161 Ų16150.1 Ų50.186%0.86126%0.264SS*.SBendtrans-55.3-16.3-177.8-63.326.4000115.1
908F67.6Low82.8Confident135 Ų13553.8 Ų53.859%0.59229%0.289SS*.SBendtrans-131131.3167.8-51.8-82.3000107.9R906 L910 A927 T930R906-F908 CarbonylContact O-C 3.47Å; R906-F908 PolarHBondContact O-N 3.31Å; F908-L910 PolarHBondContact O-N 2.72Å; F908-A927 HydrophobicContact CB-CB 4.16Å; F908-T930 HydrophobicContact CD1-CG2 4.37Å; F908-T930 HydrophobicContact CE1-CG2 4.42Å
909A73.2Confident82Confident40 Ų4056.5 Ų56.533%0.33130%0.302SS..  trans-61.8128.6175.500000110.3D903 P928D903-A909 WeakPolarHBondContact O-CA 3.24Å; A909-P928 WeakPolarHBondContact O-CD 3.27Å
910L86.6Confident81.7Confident33 Ų3360 Ų6017%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-105.1115.8-179.6-74.5173.7000111.1C902 D903 F908 A927C902-L910 WeakPolarHBondContact CA-O 3.32Å; D903-L910 HydrophobicContact CB-CB 4.25Å; D903-L910 PolarHBondContact N-O 3Å; D903-L910 PolarHBondContact O-N 3.01Å; F908-L910 PolarHBondContact O-N 2.72Å; L910-A927 HydrophobicContact CD2-CB 4.24Å
911V90.3Very high81.6Confident0 Ų060.2 Ų60.20%033%0.325CS..EExtended strand (participates in β ladder)trans-89.7119.3179176.60000109.3Q925 F926 P928 V961 I965V911-Q925 VanDerWaalsContact O-CA 3.27Å; V911-Q925 WeakPolarHBondContact O-CA 3.13Å; V911-F926 HydrophobicContact CB-CD1 4.2Å; V911-F926 HydrophobicContact CB-CE1 3.87Å; V911-F926 HydrophobicContact CB-CE2 4.46Å; V911-F926 HydrophobicContact CB-CZ 4.02Å; V911-F926 HydrophobicContact CG1-CD1 4.37Å; V911-F926 HydrophobicContact CG1-CE1 3.64Å; V911-F926 HydrophobicContact CG1-CZ 3.85Å; V911-F926 PolarHBondContact N-O 3.06Å; V911-F926 PolarHBondContact O-N 3.16Å; V911-F926 VanDerWaalsContact O-N 3.11Å; V911-P928 HydrophobicContact CG2-CG 3.82Å; V911-V961 HydrophobicContact CG1-CG1 3.88Å; V911-I965 HydrophobicContact CB-CD1 4.05Å; V911-I965 HydrophobicContact CG1-CD1 3.35Å; V911-I965 HydrophobicContact CG2-CD1 3.46Å; V911-I965 VanDerWaalsContact CG2-CD1 3.46Å; V911-I965 HydrophobicContact CG2-CG2 3.99Å
912S92.2Very high81.8Confident21 Ų2160.3 Ų60.315%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-93.5123.5173.5-58.50000110.2L900 G901 Q925L900-S912 PolarHBondContact N-O 3.44Å; G901-S912 PolarHBondContact N-O 3.1Å; G901-S912 PolarHBondContact O-N 3.1Å; S912-Q925 WeakPolarHBondContact OG-CG 3.37Å; S912-Q925 PolarHBondContact OG-NE2 2.87Å
913C94.6Very high82.3Confident1 Ų163.4 Ų63.41%0.00734%0.34CS..EExtended strand (participates in β ladder)trans-126142.1176.4-74.80000111.5M897 E898 T923 F924M897-C913 HydrophobicContact CG-CB 4.34Å; E898-C913 CarbonylContact O-C 3.59Å; E898-C913 WeakPolarHBondContact O-CA 3.43Å; C913-T923 VanDerWaalsContact O-CA 3.31Å; C913-T923 WeakPolarHBondContact O-CA 3.49Å; C913-F924 HydrophobicContact CB-CE1 4.07Å; C913-F924 HydrophobicContact CB-CE2 4.18Å; C913-F924 HydrophobicContact CB-CZ 3.8Å; C913-F924 PolarHBondContact N-O 3.38Å; C913-F924 PolarHBondContact O-N 3.22Å
914R94.9Very high83Confident58 Ų5862.9 Ų62.922%0.21934%0.336CS..EExtended strand (participates in β ladder)trans-100.8125.7162.1-167.1175.377.4-103.6-13.5109.5M897 E898 L900 D916 V922 T923M897-R914 CarbonylContact C-O 3.6Å; M897-R914 WeakPolarHBondContact CA-O 3.35Å; E898-R914 PolarHBondContact N-O 2.79Å; E898-R914 PolarHBondContact O-N 3Å; E898-R914 IonicContact OE1-CZ 2.66Å; E898-R914 VanDerWaalsContact OE1-CZ 3.26Å; E898-R914 IonicContact OE1-NH1 3.91Å; E898-R914 PolarHBondContact OE1-NH1 3.47Å; E898-R914 IonicContact OE1-NH2 3.03Å; E898-R914 PolarHBondContact OE1-NH2 2.79Å; E898-R914 IonicContact OE2-CZ 3.21Å; E898-R914 IonicContact OE2-NH1 2.69Å; E898-R914 IonicContact OE2-NH2 2.82Å; E898-R914 PolarHBondContact OE2-NH2 2.81Å; L900-R914 HydrophobicContact CD1-CB 4.08Å; L900-R914 HydrophobicContact CD2-CB 4.01Å; L900-R914 HydrophobicContact CG-CB 4.09Å; R914-D916 IonicContact CZ-OD2 3.04Å; R914-D916 VanDerWaalsContact CZ-OD2 3.29Å; R914-D916 IonicContact NE-OD1 3.92Å; R914-D916 PolarHBondContact NE-OD1 2.88Å; R914-D916 IonicContact NE-OD2 2.72Å; R914-D916 PolarHBondContact NE-OD2 2.64Å; R914-D916 IonicContact NH2-OD2 3.62Å; R914-D916 PolarHBondContact NH2-OD2 2.69Å; R914-V922 CarbonylContact C-O 3.3Å; R914-V922 WeakPolarHBondContact CA-O 3.32Å; R914-T923 HydrophobicContact CB-CG2 3.96Å; R914-T923 HydrophobicContact CG-CG2 3.79Å
915L94.7Very high84.1Confident0 Ų063 Ų630%034%0.337CS..EExtended strand (participates in β ladder)trans-110.4111174.4165.262.5000108.4V895 V896 M897 T917 S921 V922 F924 L940 L946 V954V895-L915 HydrophobicContact CG1-CD1 3.94Å; V896-L915 CarbonylContact O-C 3.5Å; V896-L915 WeakPolarHBondContact O-CA 3.36Å; M897-L915 HydrophobicContact CE-CD1 4.28Å; L915-T917 HydrophobicContact CD1-CG2 4.01Å; L915-T917 HydrophobicContact CG-CG2 4.03Å; L915-S921 CarbonylContact O-C 3.58Å; L915-S921 WeakPolarHBondContact O-CA 3.38Å; L915-V922 HydrophobicContact CB-CG1 3.82Å; L915-V922 HydrophobicContact CD2-CG1 4.01Å; L915-V922 HydrophobicContact CG-CG1 4.13Å; L915-V922 PolarHBondContact N-O 2.87Å; L915-V922 PolarHBondContact O-N 3.43Å; L915-F924 HydrophobicContact CB-CE1 3.86Å; L915-F924 HydrophobicContact CD2-CE1 4.26Å; L915-L940 HydrophobicContact CD2-CD1 3.95Å; L915-L946 HydrophobicContact CD2-CD1 4.14Å; L915-L946 HydrophobicContact CD2-CD2 4.06Å; L915-L946 HydrophobicContact CD2-CG 4.14Å; L915-V954 HydrophobicContact CD1-CG2 3.78Å; L915-V954 HydrophobicContact CD2-CG1 4.28Å; L915-V954 HydrophobicContact CD2-CG2 3.86Å; L915-V954 HydrophobicContact CG-CG2 4.48Å
916D91.6Very high85.8Confident34 Ų3458.4 Ų58.418%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-100.3112.2178-65.4-44.8000108.8V896 R914 S921V896-D916 HydrophobicContact CB-CB 4.27Å; V896-D916 PolarHBondContact N-O 2.85Å; V896-D916 PolarHBondContact O-N 3.47Å; R914-D916 IonicContact CZ-OD2 3.04Å; R914-D916 VanDerWaalsContact CZ-OD2 3.29Å; R914-D916 IonicContact NE-OD1 3.92Å; R914-D916 PolarHBondContact NE-OD1 2.88Å; R914-D916 IonicContact NE-OD2 2.72Å; R914-D916 PolarHBondContact NE-OD2 2.64Å; R914-D916 IonicContact NH2-OD2 3.62Å; R914-D916 PolarHBondContact NH2-OD2 2.69Å; D916-S921 VanDerWaalsContact OD1-CB 3.22Å; D916-S921 WeakPolarHBondContact OD1-CB 3.39Å; D916-S921 PolarHBondContact OD1-OG 2.8Å
917T88.2Confident87.1Confident18 Ų1851.8 Ų51.811%0.1128%0.28CS..  trans-110.4178.317774.60000111.6L915 H919 K920 L946L915-T917 HydrophobicContact CD1-CG2 4.01Å; L915-T917 HydrophobicContact CG-CG2 4.03Å; T917-H919 PolarHBondContact O-N 3.43Å; T917-H919 VanDerWaalsContact O-N 3.1Å; T917-H919 PolarHBondContact OG1-CE1 3.3Å; T917-H919 PolarHBondContact OG1-N 2.84Å; T917-H919 PolarHBondContact OG1-ND1 3.19Å; T917-K920 WeakPolarHBondContact CB-O 3.48Å; T917-K920 PolarHBondContact N-O 2.88Å; T917-K920 PolarHBondContact OG1-N 2.61Å; T917-K920 VanDerWaalsContact OG1-N 3.1Å; T917-K920 PolarHBondContact OG1-O 3.12Å; T917-L946 HydrophobicContact CG2-CD2 3.9Å
918S78.5Confident88.1Confident77 Ų7745.1 Ų45.154%0.53825%0.246SC..SBendtrans-59.2-16.3176.355.70000116.2
919H78.7Confident88.7Confident92 Ų9242.2 Ų42.243%0.42625%0.254SS..SBendtrans-138.9-22.1-168.855.9-74.2000114T917 H950T917-H919 PolarHBondContact O-N 3.43Å; T917-H919 VanDerWaalsContact O-N 3.1Å; T917-H919 PolarHBondContact OG1-CE1 3.3Å; T917-H919 PolarHBondContact OG1-N 2.84Å; T917-H919 PolarHBondContact OG1-ND1 3.19Å; H919-H950 AromaticContact CE1-CE1 3.74Å; H919-H950 AromaticContact CE1-ND1 3.81Å
920K85.2Confident89.3Confident74 Ų7444.4 Ų44.432%0.32226%0.263SS..  trans-149.6138.8-178.8-171.5158157.1-167.40111T917 E943 D944 C945T917-K920 WeakPolarHBondContact CB-O 3.48Å; T917-K920 PolarHBondContact N-O 2.88Å; T917-K920 PolarHBondContact OG1-N 2.61Å; T917-K920 VanDerWaalsContact OG1-N 3.1Å; T917-K920 PolarHBondContact OG1-O 3.12Å; K920-E943 PolarHBondContact NZ-O 2.9Å; K920-D944 VanDerWaalsContact CD-O 3.28Å; K920-D944 WeakPolarHBondContact CD-O 3.28Å; K920-D944 PolarHBondContact NZ-O 3.29Å; K920-C945 WeakPolarHBondContact CE-SG 3.09Å; K920-C945 PolarHBondContact NZ-SG 3.09Å
921S90Very high89.5Confident80 Ų8044.6 Ų44.656%0.55927%0.265SS*.EExtended strand (participates in β ladder)trans-103.7130.5165.8-69.40000108.3L915 D916L915-S921 CarbonylContact O-C 3.58Å; L915-S921 WeakPolarHBondContact O-CA 3.38Å; D916-S921 VanDerWaalsContact OD1-CB 3.22Å; D916-S921 WeakPolarHBondContact OD1-CB 3.39Å; D916-S921 PolarHBondContact OD1-OG 2.8Å
922V92.4Very high89.6Confident21 Ų2151.5 Ų51.513%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-129.8139.3178.861.70000110R914 L915 F924 L940 C945R914-V922 CarbonylContact C-O 3.3Å; R914-V922 WeakPolarHBondContact CA-O 3.32Å; L915-V922 HydrophobicContact CB-CG1 3.82Å; L915-V922 HydrophobicContact CD2-CG1 4.01Å; L915-V922 HydrophobicContact CG-CG1 4.13Å; L915-V922 PolarHBondContact N-O 2.87Å; L915-V922 PolarHBondContact O-N 3.43Å; V922-F924 HydrophobicContact CG1-CD1 4.25Å; V922-L940 HydrophobicContact CG1-CD2 4.17Å; V922-L940 HydrophobicContact CG2-CD2 4.17Å; V922-C945 HydrophobicContact CB-CB 4.27Å; V922-C945 HydrophobicContact CG1-CB 4.12Å; V922-C945 HydrophobicContact CG2-CB 4.36Å
923T94.4Very high89.6Confident97 Ų9752 Ų5260%0.59530%0.297SS*.EExtended strand (participates in β ladder)trans-109.7123.8168.749.80000108.9L900 C913 R914L900-T923 HydrophobicContact CD1-CG2 3.78Å; C913-T923 VanDerWaalsContact O-CA 3.31Å; C913-T923 WeakPolarHBondContact O-CA 3.49Å; R914-T923 HydrophobicContact CB-CG2 3.96Å; R914-T923 HydrophobicContact CG-CG2 3.79Å
924F93.8Very high89.5Confident27 Ų2754.6 Ų54.612%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-134.5158.5-178.663.1-85.7000111.1C913 L915 V922 F926 I936 L940 L958C913-F924 HydrophobicContact CB-CE1 4.07Å; C913-F924 HydrophobicContact CB-CE2 4.18Å; C913-F924 HydrophobicContact CB-CZ 3.8Å; C913-F924 PolarHBondContact N-O 3.38Å; C913-F924 PolarHBondContact O-N 3.22Å; L915-F924 HydrophobicContact CB-CE1 3.86Å; L915-F924 HydrophobicContact CD2-CE1 4.26Å; V922-F924 HydrophobicContact CG1-CD1 4.25Å; F924-F926 AromaticContact CD2-CD1 3.97Å; F924-F926 HydrophobicContact CD2-CD1 3.97Å; F924-F926 AromaticContact CE2-CD1 3.62Å; F924-F926 HydrophobicContact CE2-CD1 3.62Å; F924-F926 AromaticContact CE2-CE1 3.94Å; F924-F926 HydrophobicContact CE2-CE1 3.94Å; F924-I936 HydrophobicContact CD2-CG2 4.04Å; F924-I936 HydrophobicContact CE2-CG2 3.7Å; F924-I936 HydrophobicContact CZ-CG2 4.37Å; F924-L940 HydrophobicContact CD1-CD1 4.06Å; F924-L940 HydrophobicContact CD1-CD2 4.16Å; F924-L940 HydrophobicContact CE1-CD1 3.83Å; F924-L940 HydrophobicContact CE2-CD1 4.46Å; F924-L940 HydrophobicContact CG-CD1 4.47Å; F924-L940 HydrophobicContact CG-CD2 4.38Å; F924-L940 HydrophobicContact CZ-CD1 4.06Å; F924-L958 HydrophobicContact CE2-CD2 3.96Å; F924-L958 HydrophobicContact CZ-CD2 3.98Å
925Q92.9Very high89.4Confident108 Ų10854.7 Ų54.751%0.50532%0.322SS..EExtended strand (participates in β ladder)trans-116.5144.7172.7-72.5-176.7-13.500110.2V911 S912V911-Q925 VanDerWaalsContact O-CA 3.27Å; V911-Q925 WeakPolarHBondContact O-CA 3.13Å; S912-Q925 WeakPolarHBondContact OG-CG 3.37Å; S912-Q925 PolarHBondContact OG-NE2 2.87Å
926F93.5Very high89.3Confident3 Ų355.1 Ų55.11%0.01332%0.324CS..EExtended strand (participates in β ladder)trans-149155.8173.970.6-82.2000110.6V911 F924 P928 D931 I936 L958 V961 I962V911-F926 HydrophobicContact CB-CD1 4.2Å; V911-F926 HydrophobicContact CB-CE1 3.87Å; V911-F926 HydrophobicContact CB-CE2 4.46Å; V911-F926 HydrophobicContact CB-CZ 4.02Å; V911-F926 HydrophobicContact CG1-CD1 4.37Å; V911-F926 HydrophobicContact CG1-CE1 3.64Å; V911-F926 HydrophobicContact CG1-CZ 3.85Å; V911-F926 PolarHBondContact N-O 3.06Å; V911-F926 PolarHBondContact O-N 3.16Å; V911-F926 VanDerWaalsContact O-N 3.11Å; F924-F926 AromaticContact CD2-CD1 3.97Å; F924-F926 HydrophobicContact CD2-CD1 3.97Å; F924-F926 AromaticContact CE2-CD1 3.62Å; F924-F926 HydrophobicContact CE2-CD1 3.62Å; F924-F926 AromaticContact CE2-CE1 3.94Å; F924-F926 HydrophobicContact CE2-CE1 3.94Å; F926-P928 HydrophobicContact CE2-CB 4.07Å; F926-D931 HydrophobicContact CB-CB 4.01Å; F926-D931 HydrophobicContact CD2-CB 4.4Å; F926-I936 HydrophobicContact CB-CD1 3.77Å; F926-I936 HydrophobicContact CB-CG1 4.24Å; F926-I936 HydrophobicContact CD1-CD1 4.24Å; F926-I936 HydrophobicContact CD2-CD1 3.45Å; F926-I936 VanDerWaalsContact CD2-CD1 3.45Å; F926-I936 HydrophobicContact CE2-CD1 4Å; F926-I936 HydrophobicContact CG-CD1 3.57Å; F926-L958 HydrophobicContact CD1-CD2 4.4Å; F926-L958 HydrophobicContact CE1-CD2 3.74Å; F926-L958 HydrophobicContact CE2-CD2 4.44Å; F926-L958 HydrophobicContact CZ-CD2 3.75Å; F926-V961 HydrophobicContact CE1-CG1 4.33Å; F926-V961 HydrophobicContact CZ-CG1 3.79Å; F926-I962 HydrophobicContact CE2-CD1 4.12Å; F926-I962 HydrophobicContact CE2-CG1 3.74Å; F926-I962 HydrophobicContact CZ-CG1 4.31Å
927A90.1Very high89.4Confident7 Ų753.5 Ų53.56%0.05832%0.316CS..  trans-99.7111.4174.600000109.5F908 L910 G929 T930 D931F908-A927 HydrophobicContact CB-CB 4.16Å; L910-A927 HydrophobicContact CD2-CB 4.24Å; A927-G929 PolarHBondContact O-N 3.39Å; A927-T930 WeakPolarHBondContact CB-OG1 3.06Å; A927-T930 PolarHBondContact O-N 2.68Å; A927-T930 PolarHBondContact O-OG1 2.94Å; A927-D931 PolarHBondContact N-OD2 2.92Å; A927-D931 VanDerWaalsContact N-OD2 3.09Å; A927-D931 PolarHBondContact O-N 3.14Å
928P86.3Confident89.5Confident21 Ų2156.6 Ų56.614%0.13633%0.334CS..THydrogen-bonded Turntrans-66-14.2-170.627.3-35.9000114A909 V911 F926 I962A909-P928 WeakPolarHBondContact O-CD 3.27Å; V911-P928 HydrophobicContact CG2-CG 3.82Å; F926-P928 HydrophobicContact CE2-CB 4.07Å; P928-I962 HydrophobicContact CB-CG1 3.89Å; P928-I962 HydrophobicContact CB-CG2 4.34Å
929G81Confident90.1Very high74 Ų7457.9 Ų57.976%0.76333%0.33SS*.THydrogen-bonded Turntrans-85.9-10.4171.900000115.4A927A927-G929 PolarHBondContact O-N 3.39Å
930T86.3Confident90.8Very high86 Ų8653.8 Ų53.853%0.52831%0.312SS..THydrogen-bonded Turntrans-131.4-38.6-176.259.70000114.1F908 A927F908-T930 HydrophobicContact CD1-CG2 4.37Å; F908-T930 HydrophobicContact CE1-CG2 4.42Å; A927-T930 WeakPolarHBondContact CB-OG1 3.06Å; A927-T930 PolarHBondContact O-N 2.68Å; A927-T930 PolarHBondContact O-OG1 2.94Å
931D90.3Very high91.2Very high38 Ų3852.6 Ų52.620%0.20331%0.308CS..  trans-85.3117.5178.1-73.7-71.9000111.1F926 A927 I936 K939F926-D931 HydrophobicContact CB-CB 4.01Å; F926-D931 HydrophobicContact CD2-CB 4.4Å; A927-D931 PolarHBondContact N-OD2 2.92Å; A927-D931 VanDerWaalsContact N-OD2 3.09Å; A927-D931 PolarHBondContact O-N 3.14Å; D931-I936 HydrophobicContact CB-CD1 3.84Å; D931-I936 HydrophobicContact CB-CG1 3.84Å; D931-K939 IonicContact OD1-NZ 2.71Å; D931-K939 PolarHBondContact OD1-NZ 2.97Å
932K91.1Very high91.2Very high144 Ų14452.7 Ų52.763%0.62631%0.314SS*.  trans-78.7142.5176.3-62.5179-179.4178.50111C934 T935 I936K932-C934 VanDerWaalsContact C-N 3.29Å; K932-C934 PolarHBondContact O-N 3.37Å; K932-C934 VanDerWaalsContact O-N 3.16Å; K932-T935 WeakPolarHBondContact O-CA 3.48Å; K932-T935 WeakPolarHBondContact O-CB 3.44Å; K932-T935 PolarHBondContact O-N 3.49Å; K932-I936 PolarHBondContact O-N 2.89Å
933P92.8Very high91Very high31 Ų3157.4 Ų57.420%0.20134%0.335CS..Hα-helixtrans-46.3-46.8176.7-34.338.1000114.8T935 I936 A937 L958 I962P933-T935 VanDerWaalsContact C-N 3.31Å; P933-T935 PolarHBondContact O-N 3.44Å; P933-I936 PolarHBondContact O-N 2.86Å; P933-A937 WeakPolarHBondContact O-CB 3.48Å; P933-A937 PolarHBondContact O-N 3.47Å; P933-L958 HydrophobicContact CB-CB 3.83Å; P933-L958 HydrophobicContact CB-CD1 4.47Å; P933-L958 HydrophobicContact CG-CB 4.14Å; P933-I962 HydrophobicContact CG-CD1 3.66Å
934C92.5Very high90.7Very high56 Ų5658.9 Ų58.938%0.37834%0.339SS..Hα-helixtrans-64.6-31.917859.30000113.7K932 T938 E955K932-C934 VanDerWaalsContact C-N 3.29Å; K932-C934 PolarHBondContact O-N 3.37Å; K932-C934 VanDerWaalsContact O-N 3.16Å; C934-T938 WeakPolarHBondContact O-CB 3.27Å; C934-T938 PolarHBondContact O-N 3.33Å; C934-T938 PolarHBondContact O-OG1 2.66Å; C934-E955 WeakPolarHBondContact CA-OE1 3.32Å; C934-E955 WeakPolarHBondContact CB-OE1 3.44Å
935T92.7Very high90.4Very high61 Ų6157.9 Ų57.937%0.37434%0.335SS..Hα-helixtrans-72.7-41.5176.4-55.70000110.7K932 P933 T938 K939K932-T935 WeakPolarHBondContact O-CA 3.48Å; K932-T935 WeakPolarHBondContact O-CB 3.44Å; K932-T935 PolarHBondContact O-N 3.49Å; P933-T935 VanDerWaalsContact C-N 3.31Å; P933-T935 PolarHBondContact O-N 3.44Å; T935-T938 PolarHBondContact O-N 2.82Å; T935-K939 WeakPolarHBondContact O-CG 3.44Å; T935-K939 PolarHBondContact O-N 3.25Å
936I93Very high90.2Very high9 Ų953 Ų535%0.04631%0.312CS..Hα-helixtrans-64.9-49.6175-57161.3000110.1F924 F926 D931 K932 P933 T938 K939 L940 L958F924-I936 HydrophobicContact CD2-CG2 4.04Å; F924-I936 HydrophobicContact CE2-CG2 3.7Å; F924-I936 HydrophobicContact CZ-CG2 4.37Å; F926-I936 HydrophobicContact CB-CD1 3.77Å; F926-I936 HydrophobicContact CB-CG1 4.24Å; F926-I936 HydrophobicContact CD1-CD1 4.24Å; F926-I936 HydrophobicContact CD2-CD1 3.45Å; F926-I936 VanDerWaalsContact CD2-CD1 3.45Å; F926-I936 HydrophobicContact CE2-CD1 4Å; F926-I936 HydrophobicContact CG-CD1 3.57Å; D931-I936 HydrophobicContact CB-CD1 3.84Å; D931-I936 HydrophobicContact CB-CG1 3.84Å; K932-I936 PolarHBondContact O-N 2.89Å; P933-I936 PolarHBondContact O-N 2.86Å; I936-T938 VanDerWaalsContact C-N 3.28Å; I936-T938 PolarHBondContact O-N 3.33Å; I936-K939 PolarHBondContact O-N 3.05Å; I936-L940 HydrophobicContact CG2-CD1 3.9Å; I936-L940 HydrophobicContact CG2-CG 4.39Å; I936-L940 WeakPolarHBondContact O-CB 3.45Å; I936-L940 WeakPolarHBondContact O-CG 3.28Å; I936-L940 PolarHBondContact O-N 2.89Å; I936-L958 HydrophobicContact CB-CD1 3.7Å; I936-L958 HydrophobicContact CD1-CD1 4.1Å; I936-L958 HydrophobicContact CD1-CD2 4.17Å; I936-L958 HydrophobicContact CG2-CD1 3.65Å; I936-L958 HydrophobicContact CG2-CD2 4.43Å
937A93.6Very high89.9Confident0 Ų056.8 Ų56.80%033%0.333CS..Hα-helixtrans-61.7-35.2178.200000112.4P933 L941 V951 V954 E955P933-A937 WeakPolarHBondContact O-CB 3.48Å; P933-A937 PolarHBondContact O-N 3.47Å; A937-L941 VanDerWaalsContact O-CB 3.31Å; A937-L941 WeakPolarHBondContact O-CB 3.18Å; A937-L941 PolarHBondContact O-N 3.07Å; A937-V951 HydrophobicContact CB-CG1 4.21Å; A937-V954 HydrophobicContact CB-CG1 4.17Å; A937-E955 HydrophobicContact CB-CG 3.61Å
938T91Very high89.6Confident82 Ų8264.4 Ų64.450%0.50337%0.365SS..Hα-helixtrans-70.3-41.3173.9-60.20000112.4C934 T935 I936 L941 A942C934-T938 WeakPolarHBondContact O-CB 3.27Å; C934-T938 PolarHBondContact O-N 3.33Å; C934-T938 PolarHBondContact O-OG1 2.66Å; T935-T938 PolarHBondContact O-N 2.82Å; I936-T938 VanDerWaalsContact C-N 3.28Å; I936-T938 PolarHBondContact O-N 3.33Å; T938-L941 PolarHBondContact O-N 3.48Å; T938-A942 WeakPolarHBondContact O-CB 3.19Å; T938-A942 PolarHBondContact O-N 3Å
939K91.4Very high89.5Confident105 Ų10567.9 Ų67.946%0.45739%0.385SS..Hα-helixtrans-59.7-49.8172.2-74.1170.5179.31740110.7D931 T935 I936 L941 A942 E943D931-K939 IonicContact OD1-NZ 2.71Å; D931-K939 PolarHBondContact OD1-NZ 2.97Å; T935-K939 WeakPolarHBondContact O-CG 3.44Å; T935-K939 PolarHBondContact O-N 3.25Å; I936-K939 PolarHBondContact O-N 3.05Å; K939-L941 VanDerWaalsContact C-N 3.28Å; K939-L941 PolarHBondContact O-N 2.92Å; K939-A942 WeakPolarHBondContact O-CA 3.07Å; K939-A942 WeakPolarHBondContact O-CB 3.36Å; K939-A942 PolarHBondContact O-N 3.45Å; K939-E943 PolarHBondContact O-N 3.39Å
940L93.3Very high89.9Confident6 Ų664.6 Ų64.63%0.03135%0.35CS..Hα-helixtrans-63.3-30.2177.5-68.7173.2000112.9L915 V922 F924 I936 C945 L946 V954L915-L940 HydrophobicContact CD2-CD1 3.95Å; V922-L940 HydrophobicContact CG1-CD2 4.17Å; V922-L940 HydrophobicContact CG2-CD2 4.17Å; F924-L940 HydrophobicContact CD1-CD1 4.06Å; F924-L940 HydrophobicContact CD1-CD2 4.16Å; F924-L940 HydrophobicContact CE1-CD1 3.83Å; F924-L940 HydrophobicContact CE2-CD1 4.46Å; F924-L940 HydrophobicContact CG-CD1 4.47Å; F924-L940 HydrophobicContact CG-CD2 4.38Å; F924-L940 HydrophobicContact CZ-CD1 4.06Å; I936-L940 HydrophobicContact CG2-CD1 3.9Å; I936-L940 HydrophobicContact CG2-CG 4.39Å; I936-L940 WeakPolarHBondContact O-CB 3.45Å; I936-L940 WeakPolarHBondContact O-CG 3.28Å; I936-L940 PolarHBondContact O-N 2.89Å; L940-C945 HydrophobicContact CB-CB 4.15Å; L940-C945 HydrophobicContact CD2-CB 3.91Å; L940-C945 CarbonylContact O-C 3.57Å; L940-C945 VanDerWaalsContact O-CA 3.29Å; L940-C945 WeakPolarHBondContact O-CA 3.16Å; L940-C945 WeakPolarHBondContact O-CB 3.38Å; L940-C945 PolarHBondContact O-N 2.81Å; L940-L946 HydrophobicContact CB-CD1 3.65Å; L940-L946 HydrophobicContact CB-CG 4.27Å; L940-L946 HydrophobicContact CD1-CD1 4.21Å; L940-L946 PolarHBondContact O-N 2.8Å; L940-V954 HydrophobicContact CD1-CG1 4.47Å
941L92.3Very high90Very high48 Ų4861.3 Ų61.325%0.25133%0.33SS..Hα-helixtrans-71-36.8170.1178.165.7000112.2A937 T938 K939 D944 L946 K948 V951A937-L941 VanDerWaalsContact O-CB 3.31Å; A937-L941 WeakPolarHBondContact O-CB 3.18Å; A937-L941 PolarHBondContact O-N 3.07Å; T938-L941 PolarHBondContact O-N 3.48Å; K939-L941 VanDerWaalsContact C-N 3.28Å; K939-L941 PolarHBondContact O-N 2.92Å; L941-D944 PolarHBondContact O-N 3.49Å; L941-L946 WeakPolarHBondContact CD1-O 3.19Å; L941-K948 HydrophobicContact CD1-CG 3.73Å; L941-K948 HydrophobicContact CD2-CG 4.16Å; L941-V951 HydrophobicContact CB-CG2 4.48Å; L941-V951 HydrophobicContact CD1-CG2 4.4Å; L941-V951 HydrophobicContact CD2-CG2 4.03Å
942A89.9Confident89.9Confident83 Ų8366.4 Ų66.469%0.68635%0.352SS*.Hα-helixtrans-74.2-25.2179.600000113.6T938 K939 D944T938-A942 WeakPolarHBondContact O-CB 3.19Å; T938-A942 PolarHBondContact O-N 3Å; K939-A942 WeakPolarHBondContact O-CA 3.07Å; K939-A942 WeakPolarHBondContact O-CB 3.36Å; K939-A942 PolarHBondContact O-N 3.45Å; A942-D944 VanDerWaalsContact C-N 3.3Å
943E89.6Confident89.9Confident120 Ų12060 Ų6056%0.56132%0.324SS*.THydrogen-bonded Turntrans-90.415.7175.4-66.7173.2-17200113.3K920 K939 C945K920-E943 PolarHBondContact NZ-O 2.9Å; K939-E943 PolarHBondContact O-N 3.39Å; E943-C945 PolarHBondContact O-N 3.44Å; E943-C945 PolarHBondContact O-SG 3.28Å; E943-C945 VanDerWaalsContact O-SG 3.42Å
944D87.6Confident89.9Confident127 Ų12758.5 Ų58.568%0.67932%0.315SS*.THydrogen-bonded Turntrans49.530.7-172.7-70.3-45.1000113K920 L941 A942K920-D944 VanDerWaalsContact CD-O 3.28Å; K920-D944 WeakPolarHBondContact CD-O 3.28Å; K920-D944 PolarHBondContact NZ-O 3.29Å; L941-D944 PolarHBondContact O-N 3.49Å; A942-D944 VanDerWaalsContact C-N 3.3Å
945C86.5Confident89.9Confident6 Ų658 Ų584%0.04131%0.307CS..SBendtrans-87-12.8176.3-62.90000112.4K920 V922 L940 E943K920-C945 WeakPolarHBondContact CE-SG 3.09Å; K920-C945 PolarHBondContact NZ-SG 3.09Å; V922-C945 HydrophobicContact CB-CB 4.27Å; V922-C945 HydrophobicContact CG1-CB 4.12Å; V922-C945 HydrophobicContact CG2-CB 4.36Å; L940-C945 HydrophobicContact CB-CB 4.15Å; L940-C945 HydrophobicContact CD2-CB 3.91Å; L940-C945 CarbonylContact O-C 3.57Å; L940-C945 VanDerWaalsContact O-CA 3.29Å; L940-C945 WeakPolarHBondContact O-CA 3.16Å; L940-C945 WeakPolarHBondContact O-CB 3.38Å; L940-C945 PolarHBondContact O-N 2.81Å; E943-C945 PolarHBondContact O-N 3.44Å; E943-C945 PolarHBondContact O-SG 3.28Å; E943-C945 VanDerWaalsContact O-SG 3.42Å
946L89Confident89.8Confident5 Ų557.1 Ų57.13%0.02631%0.306CS..SBendtrans-138.9151.2178.5-81.3165.1000112.5L915 T917 L940 L941 H950 V954L915-L946 HydrophobicContact CD2-CD1 4.14Å; L915-L946 HydrophobicContact CD2-CD2 4.06Å; L915-L946 HydrophobicContact CD2-CG 4.14Å; T917-L946 HydrophobicContact CG2-CD2 3.9Å; L940-L946 HydrophobicContact CB-CD1 3.65Å; L940-L946 HydrophobicContact CB-CG 4.27Å; L940-L946 HydrophobicContact CD1-CD1 4.21Å; L940-L946 PolarHBondContact O-N 2.8Å; L941-L946 WeakPolarHBondContact CD1-O 3.19Å; L946-H950 HydrophobicContact CD2-CB 3.45Å; L946-H950 VanDerWaalsContact CD2-CB 3.45Å; L946-V954 HydrophobicContact CD1-CB 3.96Å; L946-V954 HydrophobicContact CD1-CG1 3.88Å; L946-V954 HydrophobicContact CD1-CG2 3.85Å; L946-V954 HydrophobicContact CD2-CG2 3.63Å; L946-V954 HydrophobicContact CG-CG2 4.37Å
947L87Confident89.8Confident83 Ų8356.7 Ų56.744%0.43530%0.304SS..  trans-87.2151.1161.9-69.7169.2000109.8V949 H950L947-V949 HydrophobicContact CB-CG1 4.15Å; L947-V949 PolarHBondContact O-N 3.11Å; L947-V949 VanDerWaalsContact O-N 3.11Å; L947-H950 WeakPolarHBondContact O-CB 3.43Å; L947-H950 PolarHBondContact O-N 2.86Å
948K85.1Confident89.8Confident168 Ų16856.7 Ų56.773%0.7330%0.304SS*.G310 helixtrans-53.6-34.8-179.9-67-175.3177.6-177.60113.9L941 H950 V951L941-K948 HydrophobicContact CD1-CG 3.73Å; L941-K948 HydrophobicContact CD2-CG 4.16Å; K948-H950 VanDerWaalsContact C-N 3.25Å; K948-H950 PolarHBondContact O-N 2.9Å; K948-V951 WeakPolarHBondContact O-CB 3.2Å; K948-V951 WeakPolarHBondContact O-CG2 3.35Å; K948-V951 PolarHBondContact O-N 3.24Å
949V84.1Confident89.8Confident94 Ų9454.2 Ų54.257%0.5729%0.294SS*.G310 helixtrans-68.4-19176.767.40000113.9L947L947-V949 HydrophobicContact CB-CG1 4.15Å; L947-V949 PolarHBondContact O-N 3.11Å; L947-V949 VanDerWaalsContact O-N 3.11Å
950H88.4Confident89.7Confident5 Ų553.3 Ų53.32%0.02329%0.292CS..G310 helixtrans-91.1-8.6176.8-57.7164000113.3V895 H919 L946 L947 K948 I953 V954V895-H950 HydrophobicContact CG2-CB 4.5Å; H919-H950 AromaticContact CE1-CE1 3.74Å; H919-H950 AromaticContact CE1-ND1 3.81Å; L946-H950 HydrophobicContact CD2-CB 3.45Å; L946-H950 VanDerWaalsContact CD2-CB 3.45Å; L947-H950 WeakPolarHBondContact O-CB 3.43Å; L947-H950 PolarHBondContact O-N 2.86Å; K948-H950 VanDerWaalsContact C-N 3.25Å; K948-H950 PolarHBondContact O-N 2.9Å; H950-I953 PolarHBondContact O-N 3.44Å; H950-V954 PolarHBondContact O-N 3.29Å
951V89.4Confident89.6Confident17 Ų1753 Ų5310%0.10329%0.29CS..Hα-helixtrans-58.3-57.2-172.1173.10000111.1A937 L941 K948 I953 V954 E955A937-V951 HydrophobicContact CB-CG1 4.21Å; L941-V951 HydrophobicContact CB-CG2 4.48Å; L941-V951 HydrophobicContact CD1-CG2 4.4Å; L941-V951 HydrophobicContact CD2-CG2 4.03Å; K948-V951 WeakPolarHBondContact O-CB 3.2Å; K948-V951 WeakPolarHBondContact O-CG2 3.35Å; K948-V951 PolarHBondContact O-N 3.24Å; V951-I953 PolarHBondContact O-N 3.27Å; V951-V954 CarbonylContact O-C 3.58Å; V951-V954 PolarHBondContact O-N 2.96Å; V951-E955 HydrophobicContact CG1-CG 4.29Å; V951-E955 WeakPolarHBondContact O-CG 3.38Å; V951-E955 PolarHBondContact O-N 3.06Å
952H88.1Confident89.4Confident144 Ų14451.8 Ų51.867%0.66728%0.284SS*.Hα-helixtrans-63.4-28.6-179.9-61.2-39.4000113.7E955 A956H952-E955 WeakPolarHBondContact CA-OE2 3.39Å; H952-E955 IonicContact CE1-OE2 2.64Å; H952-E955 IonicContact CG-OE2 3.93Å; H952-E955 IonicContact ND1-OE2 3.02Å; H952-E955 PolarHBondContact ND1-OE2 2.91Å; H952-A956 WeakPolarHBondContact O-CB 3.5Å; H952-A956 PolarHBondContact O-N 2.93Å
953I90.3Very high89.2Confident9 Ų953.9 Ų53.95%0.04628%0.279CS..Hα-helixtrans-69.4-42.5174.1-65.7173.1000110.4V895 H950 V951 A956 Q957 T979 L981 P989V895-I953 HydrophobicContact CB-CG2 4Å; V895-I953 HydrophobicContact CG1-CG2 3.97Å; V895-I953 HydrophobicContact CG2-CG2 4.47Å; H950-I953 PolarHBondContact O-N 3.44Å; V951-I953 PolarHBondContact O-N 3.27Å; I953-A956 PolarHBondContact O-N 2.82Å; I953-Q957 HydrophobicContact CG2-CG 4.45Å; I953-Q957 WeakPolarHBondContact O-CB 3.49Å; I953-Q957 VanDerWaalsContact O-CG 3.27Å; I953-Q957 WeakPolarHBondContact O-CG 3.32Å; I953-Q957 PolarHBondContact O-N 2.95Å; I953-T979 HydrophobicContact CD1-CG2 4.04Å; I953-T979 HydrophobicContact CG1-CG2 4.29Å; I953-T979 HydrophobicContact CG2-CG2 3.89Å; I953-L981 HydrophobicContact CD1-CD1 4.11Å; I953-L981 HydrophobicContact CD1-CD2 3.54Å; I953-L981 HydrophobicContact CD1-CG 3.76Å; I953-P989 HydrophobicContact CG1-CB 4.32Å; I953-P989 HydrophobicContact CG1-CG 4.28Å
954V92.7Very high89Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-72.2-34.7176.1167.40000111.8V895 M897 L915 A937 L940 L946 H950 V951 L958V895-V954 HydrophobicContact CG1-CG2 4.29Å; M897-V954 HydrophobicContact CE-CB 4.3Å; M897-V954 HydrophobicContact CE-CG1 3.84Å; M897-V954 HydrophobicContact CE-CG2 4.19Å; L915-V954 HydrophobicContact CD1-CG2 3.78Å; L915-V954 HydrophobicContact CD2-CG1 4.28Å; L915-V954 HydrophobicContact CD2-CG2 3.86Å; L915-V954 HydrophobicContact CG-CG2 4.48Å; A937-V954 HydrophobicContact CB-CG1 4.17Å; L940-V954 HydrophobicContact CD1-CG1 4.47Å; L946-V954 HydrophobicContact CD1-CB 3.96Å; L946-V954 HydrophobicContact CD1-CG1 3.88Å; L946-V954 HydrophobicContact CD1-CG2 3.85Å; L946-V954 HydrophobicContact CD2-CG2 3.63Å; L946-V954 HydrophobicContact CG-CG2 4.37Å; H950-V954 PolarHBondContact O-N 3.29Å; V951-V954 CarbonylContact O-C 3.58Å; V951-V954 PolarHBondContact O-N 2.96Å; V954-L958 HydrophobicContact CG1-CD1 3.72Å; V954-L958 HydrophobicContact CG1-CG 4.18Å; V954-L958 WeakPolarHBondContact O-CB 3.32Å; V954-L958 WeakPolarHBondContact O-CD1 3.2Å; V954-L958 WeakPolarHBondContact O-CG 3.22Å; V954-L958 PolarHBondContact O-N 3.45Å
955E93.2Very high88.8Confident47 Ų4744.6 Ų44.622%0.2223%0.233CC..Hα-helixtrans-61.5-44.4171.8-71.1176.313600111.5C934 A937 V951 H952 L958 G959C934-E955 WeakPolarHBondContact CA-OE1 3.32Å; C934-E955 WeakPolarHBondContact CB-OE1 3.44Å; A937-E955 HydrophobicContact CB-CG 3.61Å; V951-E955 HydrophobicContact CG1-CG 4.29Å; V951-E955 WeakPolarHBondContact O-CG 3.38Å; V951-E955 PolarHBondContact O-N 3.06Å; H952-E955 WeakPolarHBondContact CA-OE2 3.39Å; H952-E955 IonicContact CE1-OE2 2.64Å; H952-E955 IonicContact CG-OE2 3.93Å; H952-E955 IonicContact ND1-OE2 3.02Å; H952-E955 PolarHBondContact ND1-OE2 2.91Å; E955-L958 PolarHBondContact O-N 3.07Å; E955-G959 PolarHBondContact O-N 2.9Å
956A90.8Very high88.5Confident42 Ų4249.7 Ų49.735%0.34726%0.26SS..Hα-helixtrans-68.9-44.2176.700000112.3H952 I953 L958 G959 E960 I991H952-A956 WeakPolarHBondContact O-CB 3.5Å; H952-A956 PolarHBondContact O-N 2.93Å; I953-A956 PolarHBondContact O-N 2.82Å; A956-L958 VanDerWaalsContact C-N 3.34Å; A956-L958 PolarHBondContact O-N 3.28Å; A956-G959 WeakPolarHBondContact O-CA 3.37Å; A956-G959 PolarHBondContact O-N 2.81Å; A956-G959 VanDerWaalsContact O-N 3.14Å; A956-E960 PolarHBondContact O-N 2.84Å; A956-I991 HydrophobicContact CB-CD1 3.86Å
957Q92.5Very high87.9Confident0 Ų053.8 Ų53.80%029%0.289CS..Hα-helixtrans-63.3-37.1174.6-73.8179.40.200112V895 M897 I953 E960 V961 L977 T979 I991V895-Q957 PolarHBondContact O-NE2 2.97Å; M897-Q957 HydrophobicContact CB-CB 4.49Å; M897-Q957 HydrophobicContact CE-CB 3.59Å; M897-Q957 HydrophobicContact SD-CB 4.12Å; I953-Q957 HydrophobicContact CG2-CG 4.45Å; I953-Q957 WeakPolarHBondContact O-CB 3.49Å; I953-Q957 VanDerWaalsContact O-CG 3.27Å; I953-Q957 WeakPolarHBondContact O-CG 3.32Å; I953-Q957 PolarHBondContact O-N 2.95Å; Q957-E960 PolarHBondContact O-N 2.95Å; Q957-V961 WeakPolarHBondContact O-CG2 3.5Å; Q957-V961 PolarHBondContact O-N 2.9Å; Q957-L977 HydrophobicContact CB-CD1 3.94Å; Q957-L977 HydrophobicContact CG-CB 4.16Å; Q957-L977 HydrophobicContact CG-CD1 4.24Å; Q957-L977 WeakPolarHBondContact O-CD1 3.21Å; Q957-T979 PolarHBondContact NE2-OG1 3.36Å; Q957-I991 HydrophobicContact CG-CD1 4.03Å; Q957-I991 HydrophobicContact CG-CG1 4.36Å; Q957-I991 HydrophobicContact CG-CG2 4.32Å
958L94.1Very high87Confident0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-68.3-34.6172.1-77.9168.1000112.3M897 F924 F926 P933 I936 V954 E955 A956 V961 I962M897-L958 HydrophobicContact CE-CD2 4.42Å; M897-L958 HydrophobicContact CE-CG 4.04Å; M897-L958 HydrophobicContact SD-CD2 4.07Å; M897-L958 HydrophobicContact SD-CG 4.24Å; F924-L958 HydrophobicContact CE2-CD2 3.96Å; F924-L958 HydrophobicContact CZ-CD2 3.98Å; F926-L958 HydrophobicContact CD1-CD2 4.4Å; F926-L958 HydrophobicContact CE1-CD2 3.74Å; F926-L958 HydrophobicContact CE2-CD2 4.44Å; F926-L958 HydrophobicContact CZ-CD2 3.75Å; P933-L958 HydrophobicContact CB-CB 3.83Å; P933-L958 HydrophobicContact CB-CD1 4.47Å; P933-L958 HydrophobicContact CG-CB 4.14Å; I936-L958 HydrophobicContact CB-CD1 3.7Å; I936-L958 HydrophobicContact CD1-CD1 4.1Å; I936-L958 HydrophobicContact CD1-CD2 4.17Å; I936-L958 HydrophobicContact CG2-CD1 3.65Å; I936-L958 HydrophobicContact CG2-CD2 4.43Å; V954-L958 HydrophobicContact CG1-CD1 3.72Å; V954-L958 HydrophobicContact CG1-CG 4.18Å; V954-L958 WeakPolarHBondContact O-CB 3.32Å; V954-L958 WeakPolarHBondContact O-CD1 3.2Å; V954-L958 WeakPolarHBondContact O-CG 3.22Å; V954-L958 PolarHBondContact O-N 3.45Å; E955-L958 PolarHBondContact O-N 3.07Å; A956-L958 VanDerWaalsContact C-N 3.34Å; A956-L958 PolarHBondContact O-N 3.28Å; L958-V961 PolarHBondContact O-N 3.21Å; L958-I962 WeakPolarHBondContact O-CB 3.48Å; L958-I962 VanDerWaalsContact O-CG1 3.28Å; L958-I962 WeakPolarHBondContact O-CG1 3.31Å; L958-I962 PolarHBondContact O-N 3.01Å
959G91.5Very high86Confident30 Ų3046 Ų4631%0.30926%0.26SS..Hα-helixtrans-57.5-49.917000000111.7E955 A956 I962 Q963E955-G959 PolarHBondContact O-N 2.9Å; A956-G959 WeakPolarHBondContact O-CA 3.37Å; A956-G959 PolarHBondContact O-N 2.81Å; A956-G959 VanDerWaalsContact O-N 3.14Å; G959-I962 PolarHBondContact O-N 3.33Å; G959-Q963 WeakPolarHBondContact O-CB 3.43Å; G959-Q963 PolarHBondContact O-N 2.97Å
960E89.2Confident84.9Confident85 Ų8548.2 Ų48.240%0.39726%0.262SS..Hα-helixtrans-59.4-44.8173.4-75.1-69.5162.700112.6A956 Q957 I962 Q963 L964 L977 I991A956-E960 PolarHBondContact O-N 2.84Å; Q957-E960 PolarHBondContact O-N 2.95Å; E960-I962 PolarHBondContact O-N 3.31Å; E960-Q963 PolarHBondContact O-N 3.32Å; E960-L964 WeakPolarHBondContact O-CB 3.45Å; E960-L964 PolarHBondContact O-N 2.8Å; E960-L977 HydrophobicContact CB-CD1 3.64Å; E960-L977 HydrophobicContact CB-CD2 4.49Å; E960-I991 HydrophobicContact CG-CD1 3.89Å
961V90Very high83.7Confident0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-61-45.2176.1172.50000111.5M897 I899 V911 F926 Q957 L958 L964 I965 L977M897-V961 HydrophobicContact SD-CG2 3.88Å; I899-V961 HydrophobicContact CD1-CB 4.42Å; I899-V961 HydrophobicContact CD1-CG1 3.93Å; I899-V961 HydrophobicContact CD1-CG2 4.04Å; I899-V961 HydrophobicContact CG1-CG1 4.06Å; I899-V961 HydrophobicContact CG1-CG2 4Å; V911-V961 HydrophobicContact CG1-CG1 3.88Å; F926-V961 HydrophobicContact CE1-CG1 4.33Å; F926-V961 HydrophobicContact CZ-CG1 3.79Å; Q957-V961 WeakPolarHBondContact O-CG2 3.5Å; Q957-V961 PolarHBondContact O-N 2.9Å; L958-V961 PolarHBondContact O-N 3.21Å; V961-L964 PolarHBondContact O-N 2.75Å; V961-I965 HydrophobicContact CG1-CD1 3.73Å; V961-I965 WeakPolarHBondContact O-CB 3.24Å; V961-I965 WeakPolarHBondContact O-CG1 3.33Å; V961-I965 PolarHBondContact O-N 2.75Å; V961-L977 HydrophobicContact CG2-CD1 3.8Å
962I88.9Confident82.8Confident23 Ų2353.7 Ų53.712%0.11829%0.285CS..Hα-helixtrans-62.8-45.7177.1-71.3176.3000110.3F926 P928 P933 L958 G959 E960 L964 I965 N966F926-I962 HydrophobicContact CE2-CD1 4.12Å; F926-I962 HydrophobicContact CE2-CG1 3.74Å; F926-I962 HydrophobicContact CZ-CG1 4.31Å; P928-I962 HydrophobicContact CB-CG1 3.89Å; P928-I962 HydrophobicContact CB-CG2 4.34Å; P933-I962 HydrophobicContact CG-CD1 3.66Å; L958-I962 WeakPolarHBondContact O-CB 3.48Å; L958-I962 VanDerWaalsContact O-CG1 3.28Å; L958-I962 WeakPolarHBondContact O-CG1 3.31Å; L958-I962 PolarHBondContact O-N 3.01Å; G959-I962 PolarHBondContact O-N 3.33Å; E960-I962 PolarHBondContact O-N 3.31Å; I962-L964 PolarHBondContact O-N 3.5Å; I962-I965 PolarHBondContact O-N 2.91Å; I962-N966 WeakPolarHBondContact CG2-ND2 3.38Å; I962-N966 WeakPolarHBondContact O-CB 3.19Å; I962-N966 PolarHBondContact O-N 3.44Å; I962-N966 PolarHBondContact O-ND2 3.49Å
963Q85.3Confident82.4Confident126 Ų12649.5 Ų49.559%0.58927%0.27SS*.Hα-helixtrans-63.4-41.7178.8-176.6167.3-16.800111.9G959 E960 S967G959-Q963 WeakPolarHBondContact O-CB 3.43Å; G959-Q963 PolarHBondContact O-N 2.97Å; E960-Q963 PolarHBondContact O-N 3.32Å; Q963-S967 WeakPolarHBondContact O-CB 3.19Å; Q963-S967 PolarHBondContact O-N 2.99Å; Q963-S967 PolarHBondContact O-OG 3.23Å
964L85.5Confident82Confident38 Ų3850.6 Ų50.620%0.19928%0.283CS..Hα-helixtrans-65.9-42.9179-175.661.7000112.2I899 E960 V961 I962 S967 D968 T975 M995I899-L964 HydrophobicContact CD1-CD2 3.94Å; E960-L964 WeakPolarHBondContact O-CB 3.45Å; E960-L964 PolarHBondContact O-N 2.8Å; V961-L964 PolarHBondContact O-N 2.75Å; I962-L964 PolarHBondContact O-N 3.5Å; L964-S967 WeakPolarHBondContact O-CB 3.37Å; L964-S967 PolarHBondContact O-N 2.87Å; L964-D968 PolarHBondContact O-N 3.24Å; L964-T975 HydrophobicContact CD2-CG2 3.85Å; L964-M995 HydrophobicContact CD1-CE 3.65Å; L964-M995 HydrophobicContact CD2-CE 4.21Å
965I83.1Confident81.6Confident15 Ų1550.6 Ų50.68%0.07728%0.283CS..Hα-helixtrans-78.6-33-178-66.7176.6000111.8I899 V911 V961 I962 S967 G969I899-I965 HydrophobicContact CD1-CD1 4.14Å; I899-I965 HydrophobicContact CD1-CG1 4.42Å; I899-I965 HydrophobicContact CG2-CD1 4.24Å; V911-I965 HydrophobicContact CB-CD1 4.05Å; V911-I965 HydrophobicContact CG1-CD1 3.35Å; V911-I965 HydrophobicContact CG2-CD1 3.46Å; V911-I965 VanDerWaalsContact CG2-CD1 3.46Å; V911-I965 HydrophobicContact CG2-CG2 3.99Å; V961-I965 HydrophobicContact CG1-CD1 3.73Å; V961-I965 WeakPolarHBondContact O-CB 3.24Å; V961-I965 WeakPolarHBondContact O-CG1 3.33Å; V961-I965 PolarHBondContact O-N 2.75Å; I962-I965 PolarHBondContact O-N 2.91Å; I965-S967 PolarHBondContact O-N 3.29Å; I965-G969 WeakPolarHBondContact O-CA 3.25Å; I965-G969 PolarHBondContact O-N 3.39Å
966N80.9Confident81.5Confident113 Ų11352.1 Ų52.160%0.60429%0.289SS*.Hα-helixtrans-68.8-18.1168.3-69.2-11000112.7I962I962-N966 WeakPolarHBondContact CG2-ND2 3.38Å; I962-N966 WeakPolarHBondContact O-CB 3.19Å; I962-N966 PolarHBondContact O-N 3.44Å; I962-N966 PolarHBondContact O-ND2 3.49Å
967S76.3Confident81.4Confident91 Ų9150.3 Ų50.364%0.63627%0.273SS*.Hα-helixtrans-88.1-46.4175.9-60.40000112.6Q963 L964 I965Q963-S967 WeakPolarHBondContact O-CB 3.19Å; Q963-S967 PolarHBondContact O-N 2.99Å; Q963-S967 PolarHBondContact O-OG 3.23Å; L964-S967 WeakPolarHBondContact O-CB 3.37Å; L964-S967 PolarHBondContact O-N 2.87Å; I965-S967 PolarHBondContact O-N 3.29Å
968D68.7Low81.2Confident66 Ų6650.7 Ų50.735%0.35328%0.276SS..  trans-155.889179.5-160.3-36.7000111.2L964 K970 K971L964-D968 PolarHBondContact O-N 3.24Å; D968-K970 PolarHBondContact O-N 2.96Å; D968-K971 HydrophobicContact CB-CB 4.26Å; D968-K971 HydrophobicContact CB-CD 4.44Å; D968-K971 HydrophobicContact CB-CG 4.44Å; D968-K971 PolarHBondContact O-N 3.35Å; D968-K971 WeakPolarHBondContact OD2-CD 3.49Å; D968-K971 WeakPolarHBondContact OD2-CE 3.26Å; D968-K971 IonicContact OD2-NZ 3.39Å; D968-K971 PolarHBondContact OD2-NZ 2.84Å
969G62.9Low80.8Confident20 Ų2050.8 Ų50.821%0.20628%0.277CS..THydrogen-bonded Turntrans-57.8-12.4-165.300000117.2I965I965-G969 WeakPolarHBondContact O-CA 3.25Å; I965-G969 PolarHBondContact O-N 3.39Å
970K62.3Low80Confident142 Ų14252.3 Ų52.362%0.61728%0.28SS*.THydrogen-bonded Turntrans-109.6-13.8177.9-65.4-176.5-178175.30114.4E904 D968E904-K970 WeakPolarHBondContact OE1-CE 3.21Å; E904-K970 IonicContact OE1-NZ 3.45Å; E904-K970 WeakPolarHBondContact OE2-CE 3.31Å; E904-K970 IonicContact OE2-NZ 3.83Å; E904-K970 PolarHBondContact OE2-NZ 3.32Å; D968-K970 PolarHBondContact O-N 2.96Å
971K62.1Low79Confident136 Ų13650.3 Ų50.359%0.59127%0.272SS*.THydrogen-bonded Turntrans-88.6-14.3176.4-67.1-171.5-175.2124.90114.2D968 V973D968-K971 HydrophobicContact CB-CB 4.26Å; D968-K971 HydrophobicContact CB-CD 4.44Å; D968-K971 HydrophobicContact CB-CG 4.44Å; D968-K971 PolarHBondContact O-N 3.35Å; D968-K971 WeakPolarHBondContact OD2-CD 3.49Å; D968-K971 WeakPolarHBondContact OD2-CE 3.26Å; D968-K971 IonicContact OD2-NZ 3.39Å; D968-K971 PolarHBondContact OD2-NZ 2.84Å; K971-V973 VanDerWaalsContact C-N 3.28Å; K971-V973 PolarHBondContact O-N 3.39Å
972G70.2Confident77.6Confident1 Ų154.6 Ų54.61%0.0130%0.295CS..SBendtrans-64.7-30.7174.400000113.5I899 G974 T975I899-G972 WeakPolarHBondContact CB-O 3.5Å; I899-G972 VanDerWaalsContact CD1-O 3.31Å; I899-G972 WeakPolarHBondContact CD1-O 3.29Å; G972-G974 PolarHBondContact O-N 3.42Å; G972-T975 WeakPolarHBondContact O-CB 3.34Å; G972-T975 PolarHBondContact O-N 3.06Å; G972-T975 PolarHBondContact O-OG1 2.96Å
973V79.6Confident75.7Confident56 Ų5658 Ų5834%0.33932%0.318SS..THydrogen-bonded Turntrans-59.6134.2-173.7-174.40000111.7K971 T975 P996K971-V973 VanDerWaalsContact C-N 3.28Å; K971-V973 PolarHBondContact O-N 3.39Å; V973-T975 PolarHBondContact O-N 2.98Å; V973-P996 WeakPolarHBondContact O-CG 3.21Å
974G81.8Confident73.9Confident31 Ų3157.9 Ų57.932%0.3232%0.322SS..THydrogen-bonded Turntrans78.4-10.3-172.800000115I899 G972 K976I899-G974 WeakPolarHBondContact O-CA 3.31Å; I899-G974 PolarHBondContact O-N 2.8Å; G972-G974 PolarHBondContact O-N 3.42Å; G974-K976 PolarHBondContact O-N 2.83Å
975T85.2Confident72Confident1 Ų159 Ų591%0.00633%0.333CS..  trans-65.6129.3179.9-56.10000110.6E898 I899 L964 G972 V973 L977 A993 V994 M995E898-T975 WeakPolarHBondContact CA-O 3.48Å; I899-T975 PolarHBondContact N-O 3.26Å; L964-T975 HydrophobicContact CD2-CG2 3.85Å; G972-T975 WeakPolarHBondContact O-CB 3.34Å; G972-T975 PolarHBondContact O-N 3.06Å; G972-T975 PolarHBondContact O-OG1 2.96Å; V973-T975 PolarHBondContact O-N 2.98Å; T975-L977 HydrophobicContact CG2-CD2 4.36Å; T975-A993 HydrophobicContact CG2-CB 4.47Å; T975-V994 WeakPolarHBondContact CA-O 3.43Å; T975-M995 HydrophobicContact CG2-CE 4.43Å; T975-M995 HydrophobicContact CG2-CG 3.95Å
976K90Very high70.3Confident79 Ų7964.9 Ų64.934%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-115.697.3-173.9-165.5166.4-164.2146.80110.1V896 M897 E898 G974 V994V896-K976 HydrophobicContact CG1-CD 4.17Å; V896-K976 VanDerWaalsContact CG1-CE 3.44Å; V896-K976 HydrophobicContact CG1-CG 3.66Å; M897-K976 CarbonylContact O-C 3.53Å; M897-K976 WeakPolarHBondContact O-CA 3.41Å; E898-K976 HydrophobicContact CB-CG 4.39Å; E898-K976 HydrophobicContact CG-CB 4.44Å; E898-K976 HydrophobicContact CG-CG 4.43Å; E898-K976 WeakPolarHBondContact OE2-CD 3.35Å; E898-K976 WeakPolarHBondContact OE2-CE 3.47Å; E898-K976 IonicContact OE2-NZ 2.73Å; E898-K976 PolarHBondContact OE2-NZ 3.36Å; G974-K976 PolarHBondContact O-N 2.83Å; K976-V994 HydrophobicContact CB-CB 4.5Å; K976-V994 PolarHBondContact N-O 3.29Å; K976-V994 PolarHBondContact O-N 3.43Å
977L90.5Very high68.6Low4 Ų466.6 Ų66.62%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-73.6135.5169.8-55.6-176.6000109.3V896 M897 Q957 E960 V961 T975 I991 T992 A993V896-L977 CarbonylContact C-O 3.56Å; V896-L977 VanDerWaalsContact CA-O 3.31Å; V896-L977 WeakPolarHBondContact CA-O 3.38Å; M897-L977 HydrophobicContact CB-CB 4.44Å; M897-L977 PolarHBondContact N-O 2.79Å; M897-L977 PolarHBondContact O-N 2.77Å; Q957-L977 HydrophobicContact CB-CD1 3.94Å; Q957-L977 HydrophobicContact CG-CB 4.16Å; Q957-L977 HydrophobicContact CG-CD1 4.24Å; Q957-L977 WeakPolarHBondContact O-CD1 3.21Å; E960-L977 HydrophobicContact CB-CD1 3.64Å; E960-L977 HydrophobicContact CB-CD2 4.49Å; V961-L977 HydrophobicContact CG2-CD1 3.8Å; T975-L977 HydrophobicContact CG2-CD2 4.36Å; L977-I991 HydrophobicContact CB-CG2 4Å; L977-I991 HydrophobicContact CD2-CG2 4.07Å; L977-I991 HydrophobicContact CG-CG2 4.43Å; L977-T992 CarbonylContact C-O 3.56Å; L977-A993 HydrophobicContact CD2-CB 3.64Å
978A88.3Confident67.3Low8 Ų867.4 Ų67.47%0.06638%0.377CS..EExtended strand (participates in β ladder)trans-140.6122.8-177.400000110.9K894 V896 T992K894-A978 VanDerWaalsContact CE-CB 3.43Å; V896-A978 HydrophobicContact CG2-CB 4.4Å; A978-T992 PolarHBondContact N-O 3.28Å; A978-T992 WeakPolarHBondContact O-CB 3.47Å; A978-T992 PolarHBondContact O-N 2.93Å
979T85.2Confident66.9Low2 Ų267.5 Ų67.51%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-114.6131.1173-58.90000108.8K894 V895 I953 Q957 P989K894-T979 WeakPolarHBondContact CA-O 3.48Å; V895-T979 PolarHBondContact N-O 3.29Å; V895-T979 PolarHBondContact O-N 2.95Å; I953-T979 HydrophobicContact CD1-CG2 4.04Å; I953-T979 HydrophobicContact CG1-CG2 4.29Å; I953-T979 HydrophobicContact CG2-CG2 3.89Å; Q957-T979 PolarHBondContact NE2-OG1 3.36Å; T979-P989 HydrophobicContact CG2-CB 3.73Å
980V75.1Confident67Low62 Ų6271.5 Ų71.538%0.37640%0.402SS..EExtended strand (participates in β ladder)trans-100.7119.9172.7178.30000107.8K892 K894 D982K892-V980 HydrophobicContact CB-CG1 4.23Å; K892-V980 HydrophobicContact CD-CG1 3.94Å; K894-V980 HydrophobicContact CG-CG2 4.29Å; V980-D982 PolarHBondContact O-N 2.94Å
981L66.6Low67.6Low43 Ų4366.9 Ų66.923%0.22538%0.383CS..EExtended strand (participates in β ladder)trans-79.5102170.3-75.2147.5000109.2R893 V895 I953R893-L981 HydrophobicContact CB-CB 3.99Å; R893-L981 HydrophobicContact CB-CD1 4.04Å; R893-L981 WeakPolarHBondContact O-CB 3.33Å; R893-L981 PolarHBondContact O-N 2.75Å; V895-L981 HydrophobicContact CG2-CD1 4.13Å; I953-L981 HydrophobicContact CD1-CD1 4.11Å; I953-L981 HydrophobicContact CD1-CD2 3.54Å; I953-L981 HydrophobicContact CD1-CG 3.76Å
982D61Low68.4Low89 Ų8964.1 Ų64.148%0.47638%0.378SS..  trans-88.5118158.6-83.9-49.7000108.3K892 V980 N984 S985K892-D982 IonicContact NZ-OD1 2.67Å; K892-D982 PolarHBondContact NZ-OD1 3.43Å; K892-D982 IonicContact NZ-OD2 3.24Å; K892-D982 PolarHBondContact NZ-OD2 3.3Å; V980-D982 PolarHBondContact O-N 2.94Å; D982-N984 PolarHBondContact O-N 3.17Å; D982-N984 VanDerWaalsContact O-N 3.15Å; D982-S985 PolarHBondContact O-N 3.19Å
983P49.7Very low68.6Low94 Ų9466.8 Ų66.861%0.6140%0.4SS*.THydrogen-bonded Turntrans-74.1-4.8-166.530.4-37.3000115
984N46Very low68.4Low124 Ų12468.2 Ų68.266%0.66341%0.409SS*.THydrogen-bonded Turntrans-112.76-178.7-75.129.3000113.2D982D982-N984 PolarHBondContact O-N 3.17Å; D982-N984 VanDerWaalsContact O-N 3.15Å
985S47Very low67.4Low63 Ų6371.8 Ų71.844%0.44142%0.419SS..  trans-91.2131176.9-170.60000112D982 E987D982-S985 PolarHBondContact O-N 3.19Å; S985-E987 VanDerWaalsContact C-N 3.32Å; S985-E987 WeakPolarHBondContact OG-CB 3.27Å; S985-E987 PolarHBondContact OG-N 3.36Å; S985-E987 VanDerWaalsContact OG-N 3.17Å
986T46.7Very low65.8Low138 Ų13875 Ų7585%0.84744%0.439SS*.  trans-87.4-3170.7-30.70000112.1
987E45.6Very low63.4Low149 Ų14980.7 Ų80.770%0.69646%0.464SS*.SBendtrans-77.9152.3178.9-61.6-171140.600112.2S985S985-E987 VanDerWaalsContact C-N 3.32Å; S985-E987 WeakPolarHBondContact OG-CB 3.27Å; S985-E987 PolarHBondContact OG-N 3.36Å; S985-E987 VanDerWaalsContact OG-N 3.17Å
988P49.8Very low60.8Low108 Ų10887.3 Ų87.370%0.70150%0.5SS*.  trans-60.9144.917426.1-34.9000111.6T990P988-T990 PolarHBondContact O-N 2.98Å
989P58.6Low58.1Low67 Ų6793 Ų9344%0.43554%0.539SS..  trans-69.5103.3-169.926.5-35.1000113.2I953 T979 I991I953-P989 HydrophobicContact CG1-CB 4.32Å; I953-P989 HydrophobicContact CG1-CG 4.28Å; T979-P989 HydrophobicContact CG2-CB 3.73Å; P989-I991 PolarHBondContact O-N 2.73Å; P989-I991 VanDerWaalsContact O-N 3.16Å
990T65.2Low55.8Low105 Ų10598.6 Ų98.664%0.64458%0.578SS**  trans-55.9116.1177.6-55.30000112.2P988P988-T990 PolarHBondContact O-N 2.98Å
991I75.1Confident53.5Low44 Ų44100.8 Ų100.823%0.22660%0.602CS.*EExtended strand (participates in β ladder)trans-87.3120.2173.3-56.3176.5000108.4A956 Q957 E960 L977 P989A956-I991 HydrophobicContact CB-CD1 3.86Å; Q957-I991 HydrophobicContact CG-CD1 4.03Å; Q957-I991 HydrophobicContact CG-CG1 4.36Å; Q957-I991 HydrophobicContact CG-CG2 4.32Å; E960-I991 HydrophobicContact CG-CD1 3.89Å; L977-I991 HydrophobicContact CB-CG2 4Å; L977-I991 HydrophobicContact CD2-CG2 4.07Å; L977-I991 HydrophobicContact CG-CG2 4.43Å; P989-I991 PolarHBondContact O-N 2.73Å; P989-I991 VanDerWaalsContact O-N 3.16Å
992T78.4Confident51.9Low78 Ų78103.2 Ų103.248%0.47963%0.629SS.*EExtended strand (participates in β ladder)trans-97.2113.1171.9-52.70000109.4L977 A978 V994L977-T992 CarbonylContact C-O 3.56Å; A978-T992 PolarHBondContact N-O 3.28Å; A978-T992 WeakPolarHBondContact O-CB 3.47Å; A978-T992 PolarHBondContact O-N 2.93Å; T992-V994 HydrophobicContact CG2-CG2 4.44Å
993A75.4Confident50.4Low58 Ų58106.1 Ų106.148%0.47965%0.65SS.*EExtended strand (participates in β ladder)trans-88.913317300000111.1T975 L977T975-A993 HydrophobicContact CG2-CB 4.47Å; L977-A993 HydrophobicContact CD2-CB 3.64Å
994V75.4Confident49.6Very low86 Ų86106.6 Ų106.652%0.52166%0.662SS.*EExtended strand (participates in β ladder)trans-125.1115.7172.4-176.20000108.9T975 K976 T992T975-V994 WeakPolarHBondContact CA-O 3.43Å; K976-V994 HydrophobicContact CB-CB 4.5Å; K976-V994 PolarHBondContact N-O 3.29Å; K976-V994 PolarHBondContact O-N 3.43Å; T992-V994 HydrophobicContact CG2-CG2 4.44Å
995M61.3Low48.8Very low106 Ų106106 Ų10652%0.52267%0.667SS.*  trans-91.2152.4178-67.8-177171.100111.7L964 T975L964-M995 HydrophobicContact CD1-CE 3.65Å; L964-M995 HydrophobicContact CD2-CE 4.21Å; T975-M995 HydrophobicContact CG2-CE 4.43Å; T975-M995 HydrophobicContact CG2-CG 3.95Å
996P51.3Low48Very low68 Ų68109.8 Ų109.844%0.44268%0.683SS.*  trans-66.8156.8167.831.5-35.6000110.8V973V973-P996 WeakPolarHBondContact O-CG 3.21Å
997K40.4Very low47.3Very low198 Ų198109.4 Ų109.486%0.86168%0.68SS**  trans-123.581.1-171.9-169.8-175.6175.7-174.50111.1
998D34.2Very low46.7Very low144 Ų144111.6 Ų111.677%0.7769%0.687SS**  trans-77.1136.4174.8-64.3-37.4000112
999S33Very low45.9Very low128 Ų128111.4 Ų111.490%0.89569%0.687SS**  trans-171.3135.8147.7-82.90000112.5
1000S35.2Very low44.7Very low119 Ų119116.8 Ų116.883%0.83270%0.703SS**  trans-77.8157.8168.450.80000112.4
1001A27.4Very low43.1Very low107 Ų107117.5 Ų117.588%0.88470%0.702SS**  trans-80.4132.5-179.700000113.6
1002A33.9Very low40.9Very low94 Ų94123.2 Ų123.278%0.77773%0.727SS**  trans-154.8108.7164.400000112.7
1003T29.4Very low38.5Very low150 Ų150126.2 Ų126.292%0.9274%0.739SS**  trans7.1114.8152.5-47.60000120.5
1004A31.8Very low36.2Very low105 Ų105130.5 Ų130.587%0.86875%0.749SS**  trans-159.6154.914700000111.9
1005S30.5Very low33.9Very low111 Ų111134.1 Ų134.178%0.77676%0.758SS**  trans-120.1138.7-157.657.80000117.3
1006N29.4Very low32.2Very low143 Ų143135.6 Ų135.677%0.76577%0.773SS**  55.2125.2129-170.228.4000122.2
1007T31.8Very low31.4Very low129 Ų129137.7 Ų137.779%0.79179%0.787SS**  174.2165.8126.230.50000113.5
1008K32.6Very low31Very low195 Ų195133.5 Ų133.585%0.84878%0.779SS**  trans-161.9121-171.6178.6-178.7178.9176.20116.9
1009P33.3Very low30.8Very low105 Ų105131.7 Ų131.768%0.68277%0.774SS**  trans-117.9170.1150.538-27.7000111.8
1010K33.2Very low30.8Very low180 Ų180135.5 Ų135.578%0.78377%0.769SS**  cis103.6122.4-19-150.9-147.5168.6-165.50120.2
1011I33Very low30.7Very low120 Ų120135.5 Ų135.562%0.61576%0.759SS**  trans112.7127.7155.7-57.6-172000117.6
1012E28.3Very low30.8Very low164 Ų164133.7 Ų133.777%0.76675%0.745SS**  trans64.3122.8160.4-77.5173.3111.800126.2
1013I28.2Very low30.6Very low141 Ų141134.7 Ų134.772%0.72375%0.746SS**  trans73.8115.2137.7-60.8166.4000121.1
1014E26.3Very low30.5Very low147 Ų147134.9 Ų134.969%0.68774%0.736SS**  trans42125.2150.9-157.4-176.514200121.7
1015K26.5Very low30.3Very low163 Ų163136.5 Ų136.571%0.70973%0.726SS**SBendtrans67.4141.8168.6-78.7165.5-177.7126.70117.3
1016T27.2Very low30.5Very low136 Ų136136.2 Ų136.283%0.83472%0.721SS**  trans62.6155.1163.234.70000117.4
1017P32.8Very low30.4Very low113 Ų113135.3 Ų135.373%0.73472%0.716SS**  trans-88.9179.3169.443.1-39.1000109.6
1018P32.8Very low30.1Very low109 Ų109135.8 Ų135.871%0.70871%0.714SS**  cis-143.1-159.66.937.6-13.3000114.6
1019T30.7Very low29.9Very low107 Ų107131.6 Ų131.666%0.65670%0.704SS**  trans69.6129.4132.7-67.80000123.7
1020R33.3Very low29.6Very low207 Ų207134.2 Ų134.278%0.78171%0.708SS**  trans71.8171.3149.5-80.6-175.5153.9122.63.8121.6
1021D31.4Very low29.3Very low120 Ų120130.8 Ų130.864%0.64270%0.701SS**  cis-157.9137.2-31.4-111.1-15.8000105.9
1022A31.3Very low29.3Very low69 Ų69131.5 Ų131.557%0.5771%0.712SS**  82.7146.790.400000118
1023S28Very low29.3Very low114 Ų114130 Ų13080%0.79771%0.709SS**  trans72.1167.7163.5-46.80000117.1
1024Q27.3Very low29.4Very low154 Ų154127.8 Ų127.872%0.7270%0.702SS**  cis-158.3137.512.8-158.3175.1-32.700113.6
1025E28.4Very low29.6Very low140 Ų140131.2 Ų131.265%0.65471%0.709SS**  trans56.5-174152.9-84.7-168.610200119.4N1027E1025-N1027 PolarHBondContact OE1-ND2 3.4Å
1026P33.8Very low29.8Very low105 Ų105131.8 Ų131.868%0.68271%0.711SS**  cis-128165-11.811.614.5000117
1027N27.6Very low29.8Very low123 Ų123130.3 Ų130.366%0.65870%0.702SS**  trans29.5120134.1-59.7-64.4000120.4E1025E1025-N1027 PolarHBondContact OE1-ND2 3.4Å
1028N26.5Very low29.7Very low139 Ų139129.2 Ų129.274%0.74370%0.697SS**  101.1168.476.6-168.79.3000111.7
1029V27.6Very low29.4Very low107 Ų107130.8 Ų130.865%0.64870%0.695SS**  trans76135.5163.2-179.40000117.4
1030Q27.5Very low29.2Very low161 Ų161133.1 Ų133.175%0.75270%0.698SS**  cis-165.2154.3-20.8-107.9179.410.600110.2
1031V27.1Very low28.9Very low107 Ų107127.6 Ų127.665%0.64869%0.691SS**  trans47.9116.6139.6-179.50000120.7
1032T31.8Very low28.6Very low135 Ų135128.9 Ų128.983%0.82870%0.698SS**  172.7164.4129.230.20000111.8
1033N28.9Very low28.4Very low132 Ų132129.7 Ų129.771%0.70670%0.704SS**  -161.9163-58.7-135-23000114.1
1034V31Very low28.3Very low96 Ų96132.2 Ų132.258%0.58270%0.704SS**  trans64.8106147.2166.30000121.8
1035R30.9Very low28.3Very low219 Ų219130.2 Ų130.283%0.82671%0.707SS**  trans64.4158.8130-63.4-173.4-177.7144.3-1.6120.2
1036K29.2Very low28.2Very low174 Ų174128.4 Ų128.476%0.75771%0.705SS**  cis-164150.6-5.1-130.9-160.3165.8-164.10111.9
1037V28.1Very low27.9Very low106 Ų106132 Ų13264%0.64271%0.713SS**  trans63.5132.9135154.50000122.4
1038S29.6Very low27.9Very low90 Ų90130.8 Ų130.863%0.62971%0.714SS**  trans70.2159.3152.4-78.50000119.4
1039Q27.9Very low28.2Very low142 Ų142132 Ų13266%0.66472%0.719SS**  cis-154.9179.6-8.7-126.5156.9-81.500110.9
1040E25.9Very low28.4Very low155 Ų155132.2 Ų132.272%0.72472%0.722SS**  trans3.5146.6136.7-68.1153.5-173.800117.8
1041S26.7Very low28.9Very low91 Ų91135.1 Ų135.164%0.63673%0.727SS**  cis-176.8-153.810.548.10000108.7
1042N25.2Very low29.3Very low148 Ų148136.2 Ų136.279%0.79174%0.736SS**  trans11.1144.3139.5-50-16.3000118.2
1043A27.5Very low29.3Very low85 Ų85133.2 Ų133.270%0.70273%0.732SS**  cis-159.3175.433.600000114.5
1044E26.4Very low29.4Very low167 Ų167130.4 Ų130.478%0.7873%0.734SS**  trans-47.3138.7157.1-50123.994.100113.3
1045S26.6Very low29.3Very low113 Ų113133.2 Ų133.279%0.7974%0.744SS**  -171.4118.9126.7-82.30000109.5
1046V26.8Very low29.3Very low102 Ų102129.2 Ų129.262%0.61874%0.738SS**  80.9102.660.3173.70000111.7
1047Q27Very low29.5Very low179 Ų179126.9 Ų126.984%0.83674%0.738SS**  trans66.3165.3158.9-56.9159.96.600114.5
1048S27.3Very low29.9Very low99 Ų99129.6 Ų129.669%0.69275%0.745SS**  cis-144.1149.312.1-50.50000112.2
1049I34Very low30Very low163 Ų163130.3 Ų130.384%0.83675%0.751SS**  trans-68.5133.9154.9-69.6161.8000107.8
1050P31.1Very low30.5Very low112 Ų112128.7 Ų128.773%0.72775%0.752SS**  -145.6145.2116.939.1-24.3000115.9
1051R37.3Very low30.6Very low223 Ų223126.7 Ų126.784%0.84275%0.751SS**  trans-67.5179.3150.6-61.9-179.3176.3-174.3-0.5108.8
1052P37.1Very low30.7Very low130 Ų130129 Ų12984%0.84476%0.756SS**  cis-144.9-156.614.744.3-22.3000114.6
1053G30.6Very low30.9Very low72 Ų72130.4 Ų130.474%0.74276%0.758SS**  trans103.5128.9176.500000111.2
1054G30.3Very low30.9Very low73 Ų73132.3 Ų132.375%0.75376%0.761SS**  cis81.1116.721.500000108.8
1055I30Very low31Very low154 Ų154131.6 Ų131.679%0.7976%0.763SS**  -158.6139.572.6-91.3167.9000111
1056I30Very low31.1Very low135 Ų135130.7 Ų130.769%0.69276%0.756SS**  trans31126.4134.7-37.9171000116.2
1057V33.5Very low31.4Very low125 Ų125130.1 Ų130.176%0.75876%0.762SS**  -157.311585.8157.80000113.6
1058M36.3Very low32Very low163 Ų163127.4 Ų127.480%0.80376%0.76SS**  trans56.6106.7133.5-54178.470.500122.3
1059S33.5Very low32.9Very low106 Ų106128 Ų12874%0.74176%0.761SS**  trans-63.9-168.9136-32.50000111.3
1060P38.4Very low33.3Very low107 Ų107126.1 Ų126.170%0.69576%0.76SS**  cis-143.9-159.40.335.1-9.7000115.3
1061T26.7Very low33.3Very low114 Ų114127.1 Ų127.170%0.69976%0.764SS**  trans73.2123.2144.339.90000123.5
1062N28.5Very low32.9Very low138 Ų138120.1 Ų120.174%0.73876%0.761SS**  27.2119.1128.1-640.6000120.8
1063Q29.4Very low32.6Very low178 Ų178118.5 Ų118.583%0.83276%0.758SS**  -164.9122.9119-99.2143107.800106.3
1064T27.7Very low32.5Very low125 Ų125120 Ų12077%0.76776%0.764SS**  38.2102.980.759.80000114
1065D28.9Very low32.4Very low153 Ų153120.3 Ų120.382%0.81876%0.76SS**  -163.5166.3105.9-133.5-35.9000114.6
1066S29Very low32.5Very low94 Ų94122.4 Ų122.466%0.65776%0.763SS**  trans5.9139159.452.10000122.1
1067A32.9Very low32.8Very low89 Ų89121.3 Ų121.374%0.73677%0.765SS**  cis80.1152.936.900000114.6
1068P39.9Very low32.9Very low123 Ų123119.9 Ų119.980%0.79976%0.76SS**  cis-134-122-20.136.4-12000113.5
1069P46.5Very low32.6Very low111 Ų111120.9 Ų120.972%0.72176%0.755SS**  trans-116.3-158.8-153.936-9.3000112.7
1070P41.5Very low32.7Very low123 Ų123122.9 Ų122.980%0.79975%0.751SS**  -154.6-174.884.642.3-22000117
1071T30.3Very low32.3Very low134 Ų134124.6 Ų124.682%0.82275%0.749SS**  trans-77.7153.9-176.652.60000117.3
1072G30.9Very low32.6Very low75 Ų75124.8 Ų124.877%0.77375%0.75SS**  trans82.6177.7139.600000118.4
1073A28.9Very low32.6Very low96 Ų96123.2 Ų123.279%0.79375%0.746SS**  cis-167.3154.7-15.900000111.6
1074A28.8Very low32.7Very low104 Ų104123.2 Ų123.286%0.8674%0.743SS**  trans63.8164.6170.700000116.3
1075A28.9Very low32.7Very low80 Ų80122.1 Ų122.166%0.66174%0.74SS**  cis-138.9143.1-1.900000109.3
1076K32.9Very low32.7Very low198 Ų198118.3 Ų118.386%0.86173%0.73SS**  49.5145.897.6-55.3-179.3178.7176.20115.7
1077P36.5Very low33Very low112 Ų112121 Ų12173%0.72774%0.737SS**  cis-138.2-176.711.543.7-26.8000116.8
1078S33.9Very low33.3Very low95 Ų95121.9 Ų121.966%0.66474%0.736SS**  trans76.4131.1150.8-69.40000119.6
1079R30.8Very low32.8Very low184 Ų184120.5 Ų120.569%0.69472%0.72SS**  cis80.6125.442.8-175-155.9-172.8164.34.2110.3
1080F34.7Very low32.1Very low147 Ų147116.8 Ų116.865%0.64570%0.699SS**  cis-105.6152.522.6-81.8-106000113.2
1081Q31.5Very low31.7Very low143 Ų143115.5 Ų115.567%0.66869%0.689SS**  47.3132.981-42.7177.5-5.100112.3
1082V31.8Very low32.1Very low118 Ų118114.7 Ų114.772%0.71569%0.686SS**  cis-147.2113.746.6163.10000108.6
1083T29.4Very low32.1Very low105 Ų105117.4 Ų117.464%0.64468%0.682SS**  38.5138.6112.277.70000116.5
1084K30.7Very low32.2Very low178 Ų178118 Ų11877%0.77468%0.68SS**  cis-156.815138.8-126.6132.5-178-177.70112.1
1085S28.4Very low32.4Very low102 Ų102118.4 Ų118.471%0.71368%0.676SS**  trans42118.2135.5-56.20000118.9
1086A29.6Very low32.5Very low74 Ų74119.3 Ų119.361%0.61268%0.678SS**  cis66.9110.532.700000114.7
1087D34.9Very low32.2Very low150 Ų150117 Ų11780%0.80267%0.673SS**  trans58.6-159.4145.7-37.1-33.3000115.7
1088P38.8Very low31.9Very low108 Ų108117.3 Ų117.370%0.70168%0.678SS**  cis-111.4-166.5-37.313.56.8000111.3
1089I30Very low31.5Very low93 Ų93119.2 Ų119.248%0.47769%0.686SS.*  158149.184-82.2179.2000105.1V1209 V1210 S1211I1089-V1209 CarbonylContact O-C 3.44Å; I1089-V1209 VanDerWaalsContact O-C 3.3Å; I1089-V1209 WeakPolarHBondContact O-CG1 3.14Å; I1089-V1209 VanDerWaalsContact O-O 3.12Å; I1089-V1210 CarbonylContact C-O 3.17Å; I1089-V1210 PolarHBondContact O-N 2.88Å; I1089-S1211 VanDerWaalsContact CG2-CB 3.4Å; I1089-S1211 WeakPolarHBondContact CG2-OG 3.44Å
1090A30.7Very low31.4Very low34 Ų34114.3 Ų114.328%0.28169%0.685SS.*  cis-166.3175.8-26.300000106V1209 V1210A1090-V1209 VanDerWaalsContact N-CG1 3.32Å; A1090-V1209 VanDerWaalsContact O-CG1 3.24Å; A1090-V1209 WeakPolarHBondContact O-CG1 3.33Å; A1090-V1210 PolarHBondContact N-O 2.95Å; A1090-V1210 VanDerWaalsContact O-O 3.09Å
1091T33.1Very low31Very low95 Ų95113.1 Ų113.158%0.58369%0.69SS**  cis-159.4147.426.2-43.20000109I1093T1091-I1093 HydrophobicContact CG2-CD1 3.66Å; T1091-I1093 HydrophobicContact CG2-CG1 4.39Å
1092P39.1Very low30.9Very low117 Ų117112.5 Ų112.576%0.7670%0.695SS**  trans-91.7-151.3173.137.9-33.6000110.4
1093I30.7Very low31Very low133 Ų133114.4 Ų114.468%0.68270%0.7SS**  157.9137.8129.6-81.3156.5000113.2T1091T1091-I1093 HydrophobicContact CG2-CD1 3.66Å; T1091-I1093 HydrophobicContact CG2-CG1 4.39Å
1094S31.7Very low31.2Very low109 Ų109114 Ų11476%0.76270%0.699SS**  trans68.4153.1157.7-76.90000120.8
1095S32.6Very low31.1Very low111 Ų111112.8 Ų112.878%0.77670%0.699SS**  cis-157.5154.3-12.640.40000112.5
1096S30Very low31.4Very low99 Ų99114.1 Ų114.169%0.69270%0.703SS**  trans-92.7-176.2171.352.30000112.6
1097I27.2Very low31.3Very low149 Ų149114.6 Ų114.676%0.76471%0.707SS**  trans83.6108.2166.9-50.3156.4000116.1
1098S30.8Very low31.2Very low119 Ų119112.3 Ų112.383%0.83271%0.709SS**  -166118.3114.8-80.70000113.2
1099T25.7Very low30.8Very low135 Ų135113.6 Ų113.683%0.82872%0.715SS**  trans-64.6152.5168.4-32.50000112
1100A27.6Very low31Very low81 Ų81114.1 Ų114.167%0.66973%0.725SS**  154.3103.612200000116.9
1101T27.1Very low30.8Very low123 Ų123118.1 Ų118.176%0.75575%0.746SS**  71.7143.9123.3-35.80000121.9
1102V28.4Very low30.5Very low129 Ų129120.1 Ų120.178%0.78275%0.753SS**  trans61.7144.5170-88.60000117.5
1103I33.6Very low29.9Very low159 Ų159120.9 Ų120.982%0.81575%0.749SS**  cis-127.1149.912-59.9173000110.8
1104P35.2Very low29.7Very low95 Ų95120.2 Ų120.262%0.61775%0.751SS**  trans-110.8-171.4177.835-19.6000114.6
1105I28.3Very low29.5Very low153 Ų153119.7 Ų119.779%0.78575%0.747SS**  trans72.9137.5171.4-30.6179.7000111.5A1107I1105-A1107 HydrophobicContact CG2-CB 4.43Å
1106V34.4Very low29.7Very low130 Ų130121.9 Ų121.979%0.78875%0.745SS**  cis-141.6137.533.9174.80000108.4
1107A28.1Very low29.7Very low85 Ų85122.3 Ų122.370%0.70275%0.746SS**  cis87.982.326.300000116.6I1105I1105-A1107 HydrophobicContact CG2-CB 4.43Å
1108A32.4Very low29.7Very low101 Ų101120.4 Ų120.484%0.83574%0.741SS**  trans-158.399.2158.900000114.3
1109T30Very low29.4Very low135 Ų135121.2 Ų121.283%0.82874%0.735SS**  trans-55.1173.3146.345.50000113.6
1110P33.5Very low29.3Very low105 Ų105120.4 Ų120.468%0.68273%0.729SS**  cis-136.5-158.5-2.733.1-9000113.6
1111T27Very low29.7Very low117 Ų117123.9 Ų123.972%0.71873%0.732SS**  trans-1.1154.4142.462.90000118.5
1112N26.3Very low29.8Very low137 Ų137123.8 Ų123.873%0.73373%0.733SS**  179.2174.264.5-165.413.5000113.5
1113I28Very low29.6Very low134 Ų134123.8 Ų123.869%0.68773%0.728SS**  trans80.676.2160.9-41.5-171.3000118.5
1114T26.5Very low29.3Very low119 Ų119122.3 Ų122.373%0.7373%0.726SS**  68.1137.2109.5-50.30000122.5
1115S27.8Very low29Very low97 Ų97121.7 Ų121.768%0.67873%0.729SS**  trans7690.3148.957.80000122.6
1116E35.3Very low29Very low157 Ų157122.4 Ų122.473%0.73473%0.729SS**  -29.6137.3102.2-92.1-86.2167.100112.2V1118E1116-V1118 WeakPolarHBondContact OE2-CG2 3.39Å; E1116-V1118 PolarHBondContact OE2-N 2.7Å
1117P30.9Very low28.6Very low108 Ų108121.7 Ų121.770%0.70173%0.725SS**  -156.114181.239.7-19.3000119
1118V26.5Very low28.5Very low109 Ų109123.6 Ų123.666%0.66172%0.722SS**  51.8138.3116.7-171.60000122E1116E1116-V1118 WeakPolarHBondContact OE2-CG2 3.39Å; E1116-V1118 PolarHBondContact OE2-N 2.7Å
1119I24Very low28.4Very low136 Ų136123.6 Ų123.670%0.69771%0.711SS**  trans101.9101.8148.7-96.3162.2000121.5
1120V24.5Very low28.4Very low119 Ų119124.3 Ų124.372%0.72171%0.705SS**  61.9134.5120.9179.40000122.4
1121Q36Very low28.1Very low154 Ų154126.8 Ų126.872%0.7271%0.712SS**  trans-12.7143.6152.3-48.9172.73.400117.7
1122P29Very low28.2Very low120 Ų120125 Ų12578%0.77971%0.709SS**  -119146.888.1-1.922.8000112
1123I25.2Very low28.4Very low130 Ų130124.9 Ų124.967%0.66771%0.713SS**  76.990.559.7-61.6172.4000113.1
1124T27Very low28.9Very low127 Ų127123.9 Ų123.978%0.77972%0.715SS**  81.5156.7128.8-56.30000120.3
1125A27.7Very low29.4Very low82 Ų82123 Ų12368%0.67871%0.714SS**  trans89.3126.1162.500000117
1126Q28.2Very low29.7Very low168 Ų168124 Ų12479%0.78572%0.719SS**  cis-171.3177-9.8-132.1171.79.900110.9
1127V26.3Very low29.7Very low116 Ų116123.3 Ų123.370%0.70372%0.724SS**  trans70.4134.1144152.60000117.2
1128I27.2Very low29.6Very low125 Ų125122.8 Ų122.864%0.64172%0.723SS**  cis-150.8123.7-5.6-103.1165.9000104.3
1129T29.2Very low29.9Very low101 Ų101126.3 Ų126.362%0.6273%0.732SS**  87160.256.758.20000116.3
1130H29.5Very low30.1Very low149 Ų149124.6 Ų124.669%0.6973%0.733SS**  trans80.4137.2173.3-39.2-64000115.5
1131L27.9Very low30.5Very low158 Ų158126.3 Ų126.383%0.82774%0.737SS**  cis-160.7175.8-8.3-138.465.3000106.6
1132A29.7Very low30.3Very low80 Ų80124 Ų12466%0.66174%0.738SS**  cis-156.6178.37.100000112.1
1133T30.7Very low30.5Very low134 Ų134122.9 Ų122.982%0.82273%0.733SS**  trans-145.1-160.5171.154.50000107.1
1134P38.8Very low30.7Very low112 Ų112123.9 Ų123.973%0.72774%0.74SS**  cis-141.6-166.3-5.242.7-21.2000116.8
1135S35.8Very low30.9Very low102 Ų102123.4 Ų123.471%0.71374%0.741SS**  trans-32.9168.7168.7-35.40000121.1
1136P34.6Very low31.2Very low118 Ų118125 Ų12577%0.76675%0.748SS**  -121.4-173.7100.339.5-36.9000112.1
1137V34.3Very low31.6Very low141 Ų141123 Ų12386%0.85575%0.749SS**  cis-138.5-157.99.3-146.10000110.6
1138S28.8Very low31.9Very low97 Ų97123 Ų12368%0.67876%0.755SS**  trans-146.4150-176.6-510000113.9
1139H33.7Very low32Very low183 Ų183121.4 Ų121.485%0.84776%0.76SS**  trans-170.7108144.4-80.3-51.1000108.1
1140S29.2Very low32Very low101 Ų101122.7 Ų122.771%0.70677%0.768SS**  66.2123.388.3-55.20000113.7
1141L31.9Very low31.8Very low154 Ų154121.8 Ų121.881%0.80677%0.773SS**  cis-142.717013.1-68.3178.6000109.8
1142S32.3Very low32Very low107 Ų107122.4 Ų122.475%0.74877%0.771SS**  cis84.2134.425.7-42.50000115.3
1143S32.5Very low32Very low95 Ų95124 Ų12466%0.66478%0.778SS**  cis-176.4154.4-2.6500000115
1144N28.8Very low31.8Very low152 Ų152125 Ų12581%0.81378%0.778SS**  trans68.4160.1150.3-57.7-6000119.3
1145S31.2Very low31.5Very low117 Ų117127.3 Ų127.382%0.81878%0.781SS**  cis-149.716622.2-48.20000115.7
1146S34.9Very low31.5Very low116 Ų116128 Ų12881%0.81179%0.785SS**  trans-85.1-158.3174.9-27.90000112.4
1147P36.9Very low31.2Very low124 Ų124127.3 Ų127.381%0.80578%0.784SS**  cis-142.3-159.419.745.8-24000116.6
1148S32Very low31.3Very low118 Ų118128.9 Ų128.983%0.82579%0.785SS**  trans-121.4179.5176.8-49.70000112.6
1149A28.7Very low31.3Very low91 Ų91132.5 Ų132.575%0.75279%0.791SS**  trans84.9110.8159.700000121
1150T30Very low31.2Very low128 Ų128128.8 Ų128.879%0.78579%0.786SS**  41.2125123.1-39.20000121.6
1151T25.5Very low31.1Very low130 Ų130129.6 Ų129.680%0.79879%0.787SS**  174.7159.5115.4-670000111.7
1152H31.1Very low30.9Very low171 Ų171128.4 Ų128.479%0.79279%0.786SS**  trans-79153-173.2-44.2-99.2000115.1
1153S29.8Very low30.8Very low114 Ų114127.7 Ų127.780%0.79778%0.782SS**  170.8113.4109.960.60000117
1154N27.5Very low30.8Very low155 Ų155129.6 Ų129.683%0.82979%0.789SS**  55.2150.3128.2-129.7-4000125.7
1155M31.3Very low31.3Very low160 Ų160128 Ų12879%0.78879%0.787SS**  trans72.9144171.1-44-156.777.100116.7
1156S36.2Very low31.3Very low115 Ų115125.8 Ų125.880%0.80478%0.782SS**  cis-13716516.5-67.40000114.4
1157S29.8Very low31.5Very low105 Ų105131.9 Ų131.973%0.73479%0.787SS**  trans-75.1159.8-176.3-45.90000116.1
1158I36.1Very low31.1Very low174 Ų174135.2 Ų135.289%0.89278%0.784SS**  -154157.4124.4-99.9153.7000108.6
1159Q27.6Very low31.1Very low172 Ų172138.5 Ų138.580%0.80478%0.784SS**  trans-109.6-177.9-162-61.5164.4-53.200113.4
1160S32.3Very low31.2Very low106 Ų106139.6 Ų139.674%0.74178%0.781SS**  trans91.8137.7159.9-50.50000117.3
1161T27Very low31.1Very low118 Ų118139.3 Ų139.372%0.72478%0.779SS**  cis176.7165.3-36.725.80000107.8
1162T28.6Very low31.2Very low128 Ų128140.8 Ų140.879%0.78578%0.777SS**  trans65.1153.7163.152.60000119.2
1163S28.9Very low31.2Very low93 Ų93138.8 Ų138.865%0.6578%0.779SS**  cis-175.7-176.9-45.748.20000109.7
1164V31.8Very low31.1Very low134 Ų134139.6 Ų139.681%0.81278%0.779SS**  trans69.2149.3163.8-78.70000119.6
1165P40.2Very low31.3Very low120 Ų120137.2 Ų137.278%0.77978%0.775SS**  -146.7172.6-12944.2-24.4000119.1
1166G32.1Very low31.2Very low70 Ų70138.6 Ų138.672%0.72278%0.779SS**  73.4128.2119.400000122.8
1167R37.7Very low30.8Very low243 Ų243137.2 Ų137.292%0.91778%0.775SS**  -174.1123.1124.4-98166.4-175-1501.3108.2
1168R29.5Very low30.8Very low195 Ų195141 Ų14174%0.73678%0.781SS**  67.8120.282-152.4174.5-155.4-178.28110.4
1169F31.5Very low30.6Very low187 Ų187137.8 Ų137.882%0.8277%0.774SS**  -130.5172.451.5-89.3-95.4000117.7
1170T30.7Very low30.8Very low113 Ų113133 Ų13369%0.69377%0.77SS**  trans-142153.1-171.450.20000109.9
1171V27.2Very low30.7Very low123 Ų123136.3 Ų136.375%0.74578%0.778SS**  trans-179.7120.3146.3140.20000105.9
1172Q27.6Very low31Very low161 Ų161136 Ų13675%0.75278%0.78SS**  91.1124.656.3-97.8-174.7-23.400114.1
1173P31.3Very low31.4Very low128 Ų128135.8 Ų135.883%0.83178%0.784SS**  trans-108.6113.8169.535.4-24.8000112.3
1174V29Very low31.7Very low132 Ų132136.1 Ų136.180%0.879%0.786SS**  trans-144.8159.5175.7-175.60000110.2
1175S30.9Very low31.7Very low105 Ų105137.7 Ų137.773%0.73479%0.788SS**  trans-98.2175.5-170.8-53.50000114.9
1176Q28.7Very low31.4Very low189 Ų189136.3 Ų136.388%0.88378%0.782SS**  trans85.3115.3157.1-66.3-179-2500121.5
1177A28.4Very low31.5Very low86 Ų86140 Ų14071%0.71179%0.791SS**  67.8136122.400000124.3
1178E29.9Very low31.4Very low185 Ų185133.8 Ų133.886%0.86478%0.781SS**  trans61.8161.9153.1-66.6-174.8138.900120.5
1179S31.5Very low31.6Very low106 Ų106132.9 Ų132.974%0.74179%0.785SS**  cis-165152.8-41.3650000111
1180G32.3Very low31.9Very low70 Ų70128.1 Ų128.172%0.72277%0.773SS**  trans74.6165.2165.500000118
1181I31.2Very low32Very low177 Ų177131.1 Ų131.191%0.90878%0.779SS**  cis-151.7164.6-13.235.5169.1000110.9
1182S33.2Very low32.4Very low110 Ų110130.5 Ų130.577%0.76978%0.778SS**  trans-70.2166.3-166.4-36.10000118.4
1183S36.4Very low32.9Very low125 Ų125129.1 Ų129.187%0.87478%0.78SS**  trans-140.6157.6136.851.50000110.1
1184S34.4Very low33.4Very low100 Ų100128.2 Ų128.270%0.69978%0.775SS**  trans-145144.1-155.4-40.50000114.5
1185I32.7Very low33.5Very low167 Ų167125.9 Ų125.986%0.85677%0.769SS**  trans-175.7156.4151.9-103.8157.7000108
1186S33Very low33.6Very low91 Ų91127.5 Ų127.564%0.63677%0.768SS**  cis159.1106.5-38.8-88.90000109.1
1187T33.7Very low33.8Very low148 Ų148124.9 Ų124.991%0.90877%0.765SS**  trans-170.6150.6147.58.10000112
1188P37.4Very low33.8Very low111 Ų111125.3 Ų125.372%0.72176%0.763SS**  trans-135.5-177.4-166.643-25.7000117.2
1189H33.8Very low34Very low176 Ų176122.5 Ų122.582%0.81576%0.762SS**  trans74.3159.9156.4-100.2-132.5000118.8
1190P37.7Very low34.1Very low87 Ų87123.1 Ų123.157%0.56576%0.764SS**  cis-146179.8-38.538.6-19.9000117.5
1191E32Very low34.4Very low177 Ų177125.2 Ų125.283%0.82777%0.765SS**  trans67.2160.7148.6-82-174.5106.200121.7
1192P35.6Very low34.8Very low110 Ų110121.8 Ų121.871%0.71475%0.754SS**  cis-135.5157.6-35.236.5-20.1000116
1193T38.5Very low35Very low132 Ų132123.1 Ų123.181%0.8176%0.757SS**  trans-72.4164.7159.1390000112
1194P40.4Very low35.1Very low109 Ų109122.4 Ų122.471%0.70875%0.749SS**  cis-137.4175.242.939.6-18.2000115.1I1196P1194-I1196 HydrophobicContact CB-CD1 4.37Å
1195A32.2Very low34.8Very low83 Ų83122.7 Ų122.769%0.68675%0.751SS**  cis73.2155.332.200000113.6
1196I33.7Very low34.8Very low139 Ų139121.8 Ų121.871%0.71375%0.753SS**  cis-136.3147.415.6-75.989.5000110.8P1194P1194-I1196 HydrophobicContact CB-CD1 4.37Å
1197T31.8Very low35.6Very low133 Ų133122.8 Ų122.882%0.81676%0.758SS**SBendtrans161113.2132.5-66.20000109.9
1198S29.1Very low35.9Very low96 Ų96121.4 Ų121.467%0.67175%0.751SS**  cis-178.294.2-27.242.60000106.8
1199C33.5Very low35.6Very low125 Ų125120.7 Ų120.785%0.84574%0.744SS**  trans-88.4155.4138.2-58.80000106.5
1200P33.8Very low35.5Very low120 Ų120117.2 Ų117.278%0.77974%0.735SS**  -152.1-143.594.734.4-8.9000112.9
1201P38.8Very low35.4Very low114 Ų114116.1 Ų116.174%0.7473%0.73SS**  -128.4-160.5-88.846.3-28.4000112.8
1202P38.8Very low35.4Very low104 Ų104115.4 Ų115.468%0.67573%0.732SS**  trans-102.9165.2-171.239.1-33.1000116.9
1203V38.1Very low35.4Very low139 Ų139114 Ų11484%0.84274%0.738SS**  trans59.3167.1163.6-68.50000118.6
1204P38.1Very low34.9Very low109 Ų109113.6 Ų113.671%0.70874%0.735SS**  cis-134.8-177.2-3333.9-13.9000115.5
1205S28.2Very low34.5Very low106 Ų106116.2 Ų116.274%0.74174%0.742SS**  trans69.9123.3141-730000125.7
1206V32.6Very low34.3Very low148 Ų148118 Ų11890%0.89774%0.74SS**  trans61.4154.1152.7-84.50000123.8
1207P49.8Very low34Very low112 Ų112118.2 Ų118.273%0.72774%0.742SS**  trans-103.7168-171.842.3-37.1000115.4
1208P40Very low33.8Very low119 Ų119119.2 Ų119.277%0.77374%0.737SS**  -160162.5102.841.1-21.2000119.7
1209V30.7Very low33.8Very low96 Ų96120.6 Ų120.658%0.58274%0.742SS**  11.2159.6123135.50000121I1089 A1090I1089-V1209 CarbonylContact O-C 3.44Å; I1089-V1209 VanDerWaalsContact O-C 3.3Å; I1089-V1209 WeakPolarHBondContact O-CG1 3.14Å; I1089-V1209 VanDerWaalsContact O-O 3.12Å; A1090-V1209 VanDerWaalsContact N-CG1 3.32Å; A1090-V1209 VanDerWaalsContact O-CG1 3.24Å; A1090-V1209 WeakPolarHBondContact O-CG1 3.33Å
1210V32.4Very low33.6Very low103 Ų103118.7 Ų118.762%0.62474%0.735SS**  cis169.1136.2-41.5141.70000112.6I1089 A1090I1089-V1210 CarbonylContact C-O 3.17Å; I1089-V1210 PolarHBondContact O-N 2.88Å; A1090-V1210 PolarHBondContact N-O 2.95Å; A1090-V1210 VanDerWaalsContact O-O 3.09Å
1211S35Very low33.8Very low65 Ų65118.2 Ų118.246%0.45573%0.732SS.*  trans-177.1144.1159.6-96.60000121.4I1089I1089-S1211 VanDerWaalsContact CG2-CB 3.4Å; I1089-S1211 WeakPolarHBondContact CG2-OG 3.44Å
1212N32.3Very low33.4Very low161 Ų161120.9 Ų120.986%0.86173%0.732SS**  trans48131.1145.8-66.7-2.5000125.1
1213G35.6Very low32.8Very low81 Ų81122.9 Ų122.984%0.83573%0.732SS**  trans-175.494.4164.700000113.8
1214T28.3Very low32.5Very low124 Ų124122.1 Ų122.176%0.76173%0.728SS**  trans-71.5137.9-170.7-47.20000115.7
1215L32.8Very low32.3Very low164 Ų164122.9 Ų122.986%0.85973%0.733SS**  trans-168.1106.3133.5-95-176.3000108.6
1216N26.1Very low32.3Very low120 Ų120123.1 Ų123.164%0.64273%0.734SS**  71.68571.1-126.170.4000115.7
1217L29.3Very low32.2Very low144 Ų144120.3 Ų120.375%0.75473%0.727SS**  169157.6119.3-108.455.8000110.1
1218E26.8Very low31.2Very low153 Ų153120.5 Ų120.572%0.71573%0.726SS**  cis179.7175-37.2-167.7179100.900106
1219V28.7Very low30.6Very low125 Ų125120.6 Ų120.676%0.75872%0.72SS**  trans66.7121.3162.7-170.10000116.3
1220A29.5Very low30.6Very low85 Ų85123.1 Ų123.170%0.70273%0.726SS**  cis-165.1167.7-6.300000109.9
1221P37.4Very low30.4Very low111 Ų111124.6 Ų124.672%0.72173%0.73SS**  trans-103.9174.4-179.137.6-29.9000113.2
1222K30.1Very low30.2Very low169 Ų169126.6 Ų126.674%0.73574%0.739SS**  168140.4123.8-94.3165.3169.4-174.40117.2
1223Q27.2Very low30.3Very low146 Ų146125.2 Ų125.268%0.68273%0.732SS**  trans66.3111.6131.9-68.2166.1-30.400122.2
1224T30.8Very low30.1Very low123 Ų123126.4 Ų126.476%0.75572%0.723SS**  28.5145.1105.960.50000119.3
1225P35.3Very low30.3Very low125 Ų125127.5 Ų127.581%0.81272%0.72SS**  cis-147-17842.342.5-22.9000118.4
1226S27.5Very low30.5Very low111 Ų111127 Ų12778%0.77671%0.712SS**  trans-77.2152.5168.7173.90000112.8
1227A31Very low30.9Very low90 Ų90125.6 Ų125.674%0.74471%0.712SS**  trans-156.390.816300000114.1
1228T27.6Very low31.1Very low115 Ų115123.6 Ų123.671%0.70671%0.711SS**  42.5144.6128.8-11.50000124.2
1229N28Very low31.4Very low122 Ų122120.9 Ų120.965%0.65271%0.709SS**  trans102.7106.7140.6-75.2-32.5000122.2
1230Q30.4Very low31.5Very low148 Ų148121 Ų12169%0.69271%0.709SS**  93.9120.3117-74.2174.23600122.5
1231N28.9Very low31.5Very low134 Ų134120.9 Ų120.972%0.71771%0.708SS**  103.8116.2123.5-83.318.1000122
1232V31.3Very low31.2Very low107 Ų107120.8 Ų120.865%0.64871%0.711SS**  89.592.1121.8170.10000118.3
1233D32.8Very low31Very low133 Ų133119.4 Ų119.471%0.71172%0.717SS**  108.9135.2112.2-84.325.9000122.7
1234T32.5Very low31.3Very low106 Ų106117.2 Ų117.265%0.6572%0.723SS**  trans70.5120.4134-67.10000118.3
1235Q33Very low31.1Very low146 Ų146117.3 Ų117.368%0.68272%0.724SS**  cis-169.1158.19.8-123.6172.913.800113
1236H35.4Very low31Very low153 Ų153119.5 Ų119.571%0.70873%0.728SS**  trans60.6154.1154.8-64.4-53.5000121.5
1237S35.1Very low31.1Very low91 Ų91119.9 Ų119.964%0.63673%0.725SS**  cis-178.5120.5-31.7-97.20000107.2
1238S33.6Very low31Very low103 Ų103119.5 Ų119.572%0.7272%0.717SS**  59.2137.777.971.60000116.4
1239S33.5Very low31Very low96 Ų96122 Ų12267%0.67172%0.721SS**  cis179.4175.7-12.854.50000111.8
1240T30.6Very low31Very low126 Ų126122 Ų12277%0.77373%0.726SS**  trans64.6119143.245.30000124.7
1241A29.8Very low31.1Very low83 Ų83121 Ų12169%0.68673%0.731SS**  78.8114.7114.900000124.7
1242S30.3Very low31.1Very low110 Ų110119.4 Ų119.477%0.76974%0.737SS**  76.1132.9119.2-55.40000124.8
1243T27.2Very low30.9Very low140 Ų140120.4 Ų120.486%0.85974%0.744SS**  trans73114.9145.3-510000121
1244A31.9Very low30.7Very low99 Ų99120.9 Ų120.982%0.81875%0.751SS**  trans-168.9143.1131.400000112.4
1245T28.4Very low30.6Very low126 Ų126123.2 Ų123.277%0.77375%0.754SS**  trans-101.2146.3175.1-46.80000110.6
1246L32.5Very low30.4Very low171 Ų171121.8 Ų121.890%0.89576%0.756SS**  trans-166.8174.9143.4-106.8161.4000111.8
1247V28.7Very low30.1Very low119 Ų119119 Ų11972%0.72175%0.75SS**  trans-133.4165.4-148.4-168.10000113.1
1248S28.7Very low29.8Very low82 Ų82121 Ų12157%0.57376%0.76SS**  trans99.8127.5153.7-91.30000120.8
1249E28.4Very low29.6Very low167 Ų167123.3 Ų123.378%0.7876%0.763SS**  trans69.9143.3135.5-67.2159.3-12800119.7
1250T28.7Very low29.3Very low123 Ų123123.5 Ų123.576%0.75576%0.764SS**  cis-146.3160.4-3.810.30000109.9
1251P32Very low29.2Very low125 Ų125123.6 Ų123.681%0.81276%0.764SS**  trans-88.6151.3-17635.3-34.3000114.1
1252A29.3Very low29.3Very low102 Ų102125.1 Ų125.184%0.84377%0.767SS**  trans-138.795.4177.900000113.7
1253T26Very low29.1Very low128 Ų128124 Ų12479%0.78576%0.764SS**  trans-33.8123.8170.4-52.90000118.6
1254V30Very low29.7Very low143 Ų143123.4 Ų123.487%0.86776%0.763SS**  trans-153.6150.6143.8-171.70000108.2
1255H28.9Very low29.6Very low154 Ų154123.9 Ų123.971%0.71376%0.756SS**  -169.8157.4-52.1-150.7-67.9000106.9
1256V28.6Very low29.6Very low117 Ų117125.7 Ų125.771%0.70976%0.755SS**  trans69.7134.9166.41780000115.7
1257T29.3Very low29.5Very low95 Ų95125.3 Ų125.358%0.58375%0.749SS**  cis-162.4153.1-1928.80000108.2I1259T1257-I1259 HydrophobicContact CG2-CG1 4.37Å
1258P29Very low29.7Very low131 Ų131124.3 Ų124.385%0.85175%0.745SS**  trans-104.2128.6135.132.3-29000109.9
1259I30.3Very low29.6Very low153 Ų153127.9 Ų127.979%0.78576%0.757SS**  trans-89.1134.7-179.8-67.8177.1000109.8T1257T1257-I1259 HydrophobicContact CG2-CG1 4.37Å
1260S27.5Very low29.4Very low100 Ų100125.3 Ų125.370%0.69975%0.752SS**  trans-112.5-178169.1-177.50000109.1
1261V28.2Very low29.3Very low127 Ų127126.2 Ų126.277%0.7775%0.751SS**  trans76.4139.3176.1-169.40000111.3
1262P32.4Very low29.3Very low116 Ų116125.9 Ų125.975%0.75374%0.742SS**  cis-122.3147.423.138.8-24.7000118
1263A26.2Very low29.6Very low85 Ų85127.5 Ų127.570%0.70273%0.732SS**  trans-95.3133.3142.600000108.4
1264P38.3Very low30Very low128 Ų128128.5 Ų128.583%0.83173%0.728SS**  trans-79.4154.7171.232.8-33.5000111.4
1265V30.1Very low30.1Very low110 Ų110125.6 Ų125.667%0.66771%0.714SS**  trans-131.5124.7-171.2172.20000110.2
1266Q28.8Very low30.3Very low164 Ų164122.8 Ų122.877%0.76670%0.704SS**  trans61.8167.8165.4-71.6171.7-95.200115.2
1267E29.4Very low30.4Very low162 Ų162122.7 Ų122.776%0.75770%0.703SS**  cis-138.3-152.67.5-143.5178.9-143.300110.8
1268P33.4Very low30.6Very low98 Ų98125.5 Ų125.564%0.63671%0.714SS**  trans-120.2-164.8-135.140.2-19.6000115.7
1269L26.4Very low31Very low158 Ų158124.2 Ų124.283%0.82770%0.704SS**  trans86.3147.7170.1-54.5165.6000116.8
1270V25.6Very low31.1Very low113 Ų113121.7 Ų121.769%0.68569%0.688SS**  cis-169.2153.3-33.283.60000107.9
1271I26.6Very low31.3Very low142 Ų142120.7 Ų120.773%0.72868%0.675SS**  trans67.4131.6168.1-69.9169.3000115.3
1272D30.1Very low31.6Very low117 Ų117120.1 Ų120.163%0.62667%0.668SS**  cis-154.2159.3-6.7-128.2-16.4000116.6
1273H36.6Very low31.8Very low136 Ų136119.2 Ų119.263%0.6366%0.664SS**  trans43.7114.6144.6-76.5-1.3000124.7
1274H34.2Very low32.3Very low150 Ų150119 Ų11969%0.69465%0.648SS**  86.7127.3123.2-73.9-48.7000119.3
1275S33.4Very low31.9Very low82 Ų82117.4 Ų117.457%0.57363%0.633SS**  cis124.4157.19.558.30000108.5
1276D31.9Very low32Very low95 Ų95121.7 Ų121.751%0.50864%0.637SS.*  cis-159.8134-19.9-100.5-47.3000103.9T1279D1276-T1279 PolarHBondContact OD1-OG1 3.36Å
1277V30.5Very low32Very low115 Ų115123 Ų12370%0.69764%0.64SS**SBendtrans-143.1-33.6-178.4-174.20000113.8L1281V1277-L1281 WeakPolarHBondContact O-CD1 3.49Å
1278L33.5Very low32Very low153 Ų153120.7 Ų120.780%0.80164%0.637SS**SBendtrans-111.1-12.2-179-69.2172.8000114Q1280L1278-Q1280 VanDerWaalsContact C-N 3.31Å
1279T38.2Very low31.8Very low104 Ų104121.9 Ų121.964%0.63865%0.647SS**THydrogen-bonded Turntrans-78.5-9.9167.826.30000113.3D1276D1276-T1279 PolarHBondContact OD1-OG1 3.36Å
1280Q32.2Very low31.8Very low100 Ų100117.4 Ų117.447%0.46764%0.64SS.*THydrogen-bonded Turntrans-121.725.4-178-160.5161.57.500113.7L1278 E1284L1278-Q1280 VanDerWaalsContact C-N 3.31Å; Q1280-E1284 HydrophobicContact CG-CG 3.61Å; Q1280-E1284 PolarHBondContact NE2-OE1 2.81Å; Q1280-E1284 VanDerWaalsContact NE2-OE1 3.17Å
1281L32.5Very low31.8Very low80 Ų80119 Ų11942%0.41965%0.649SS.*SBendtrans-100.1-27.2169.7-106.974.9000114.2V1277 M1504V1277-L1281 WeakPolarHBondContact O-CD1 3.49Å; L1281-M1504 HydrophobicContact CB-CG 4.28Å; L1281-M1504 HydrophobicContact CD2-CB 3.91Å; L1281-M1504 HydrophobicContact CD2-CG 4.36Å; L1281-M1504 HydrophobicContact CG-CB 3.83Å; L1281-M1504 HydrophobicContact CG-CG 3.79Å; L1281-M1504 HydrophobicContact CG-SD 4.07Å; L1281-M1504 WeakPolarHBondContact O-CE 3.34Å; L1281-M1504 VanDerWaalsContact O-CG 3.24Å; L1281-M1504 WeakPolarHBondContact O-CG 3.41Å
1282D34.3Very low31.9Very low115 Ų115115.9 Ų115.962%0.61564%0.64SS**SBendtrans-106.425.3-179.3-153.726.6000113.1
1283S35.9Very low32Very low97 Ų97118.1 Ų118.168%0.67865%0.646SS**SBendtrans-144.5-1.9177.7-74.90000115.8
1284E35.7Very low31.7Very low80 Ų80117.5 Ų117.537%0.37466%0.657SS.*SBendtrans-102-18.2175.8-86.3-71.5160.700113.8Q1280 R1286 V1288 M1504Q1280-E1284 HydrophobicContact CG-CG 3.61Å; Q1280-E1284 PolarHBondContact NE2-OE1 2.81Å; Q1280-E1284 VanDerWaalsContact NE2-OE1 3.17Å; E1284-R1286 PolarHBondContact O-N 3.04Å; E1284-V1288 WeakPolarHBondContact OE2-CG2 3.37Å; E1284-M1504 HydrophobicContact CB-CE 3.39Å
1285L30.5Very low31.6Very low95 Ų95114.6 Ų114.650%0.49766%0.659SS.*SBendtrans-73.24.5177.4-111.5-176.5000113.6S1503 M1504L1285-S1503 VanDerWaalsContact CD1-O 3.3Å; L1285-S1503 WeakPolarHBondContact CD1-O 3.26Å; L1285-M1504 HydrophobicContact CB-CE 3.94Å; L1285-M1504 HydrophobicContact CD1-CG 4.26Å; L1285-M1504 HydrophobicContact CG-CE 4.09Å; L1285-M1504 HydrophobicContact CG-CG 4.37Å
1286R31.6Very low31.4Very low199 Ų199116 Ų11675%0.75167%0.669SS**SBendtrans-122.193.2165.9-68.5179.9179.9163.41.3110.5E1284E1284-R1286 PolarHBondContact O-N 3.04Å
1287K30.6Very low31.6Very low192 Ų192116.9 Ų116.984%0.83568%0.68SS**  trans98.464.6155.5-49.8164.1-179.1172.60119.8
1288V27.9Very low31.5Very low114 Ų114115.8 Ų115.869%0.69168%0.678SS**  trans-132.699.7138.3-88.70000108.8E1284E1284-V1288 WeakPolarHBondContact OE2-CG2 3.37Å
1289S28.8Very low31.3Very low122 Ų122114.6 Ų114.685%0.85368%0.677SS**  83.2111.254.5-168.10000113.2
1290G28.2Very low30.7Very low65 Ų65115.6 Ų115.667%0.6768%0.683SS**  trans158.3110.4171.600000114.2
1291V25.1Very low30.6Very low145 Ų145116 Ų11688%0.87969%0.692SS**  trans67.7129.2167.8-177.10000115.8
1292S28.7Very low30.4Very low78 Ų78119.7 Ų119.755%0.54571%0.706SS.*  cis-175155.2-13-91.40000107
1293H32.5Very low30.3Very low164 Ų164118.3 Ų118.376%0.75971%0.706SS**  cis-159.4155.9-11.4-86.7-48.9000107.2
1294S29.7Very low30.3Very low123 Ų123119.9 Ų119.986%0.8671%0.706SS**  trans65.2159.6162.177.60000116.7
1295A31.4Very low30.4Very low89 Ų89121.4 Ų121.474%0.73672%0.721SS**  cis-172.5158.8-2100000105.4
1296S29.7Very low30.6Very low112 Ų112121.8 Ų121.878%0.78373%0.731SS**  cis-157.6174.2-4.7-106.30000107.3
1297P35.6Very low30.6Very low113 Ų113118.4 Ų118.473%0.73473%0.726SS**  trans-100-149.3-165.341.3-36.8000112.8
1298S29.4Very low31Very low92 Ų92113.8 Ų113.864%0.64371%0.714SS**  trans98.4113.6162.1-54.40000115.5
1299T28.5Very low31.5Very low128 Ų128113.4 Ų113.479%0.78571%0.713SS**  95146.3101.956.70000112.8
1300V26.7Very low31.7Very low125 Ų125114.9 Ų114.976%0.75871%0.707SS**  cis-151.3164.3-3.6111.20000111.2
1301V28.7Very low31.9Very low109 Ų109117 Ų11766%0.66171%0.707SS**  trans-41.6159.1162.8-125.50000112.9
1302E29.3Very low32.3Very low156 Ų156116.7 Ų116.773%0.72970%0.699SS**  160.5171.274.9-124.9156.7-140.200104.8L1304E1302-L1304 HydrophobicContact CG-CD1 4.42Å
1303S31.7Very low32.7Very low86 Ų86118 Ų11860%0.60171%0.705SS**  cis-151.2140.717.4-117.50000107.4
1304L35.5Very low32.7Very low131 Ų131118 Ų11869%0.68671%0.71SS**  62.1142.287.6-59179.6000113.8E1302E1302-L1304 HydrophobicContact CG-CD1 4.42Å
1305T38.2Very low32.7Very low112 Ų112116.1 Ų116.169%0.68770%0.703SS**  cis-155.2-179.519.5-13.10000108.4M1307T1305-M1307 HydrophobicContact CG2-CE 4.06Å
1306S34.1Very low32.5Very low102 Ų102117.8 Ų117.871%0.71371%0.707SS**  cis-171.6156.518.6139.10000107.9
1307M31.9Very low32.3Very low129 Ų129121.2 Ų121.264%0.63571%0.711SS**  cis-158.1-175.2-12.3-83.5-92.697.700104.9T1305T1305-M1307 HydrophobicContact CG2-CE 4.06Å
1308T40.3Very low32Very low95 Ų95121.6 Ų121.658%0.58371%0.711SS**  cis66.216520.742.30000115.8
1309P37Very low32Very low105 Ų105123.5 Ų123.568%0.68272%0.719SS**  cis-118.5161.70.413.513.1000114.5
1310Q34.3Very low32.3Very low153 Ų153122.8 Ų122.872%0.71572%0.716SS**  62.8143.574.4-50.2-175.46.300115.1
1311T31.8Very low32.4Very low111 Ų111121.1 Ų121.168%0.68172%0.715SS**  -178.9120.769.5-56.20000108.4
1312I33.8Very low32.5Very low138 Ų138120.7 Ų120.771%0.70872%0.718SS**  64.3140.990.8-74.6166.2000114.9
1313P37.1Very low32.5Very low104 Ų104121 Ų12168%0.67572%0.722SS**  cis-148.1-163.3-23.442.4-20.4000116.7
1314L32Very low32.4Very low165 Ų165120.2 Ų120.286%0.86473%0.728SS**  trans85.2145.4146.5-113.974.7000124.4
1315A30.3Very low32.1Very low84 Ų84123.3 Ų123.369%0.69474%0.739SS**  trans80.2111149.600000123.1
1316C27Very low32Very low123 Ų123121.9 Ų121.983%0.83174%0.739SS**  49.8117.3129.2-58.70000123.8
1317Q26.2Very low32.2Very low184 Ų184122.8 Ų122.886%0.8674%0.742SS**  80139126.2-153.6179.170.800120.8
1318T27.9Very low32.2Very low122 Ų122120.7 Ų120.775%0.74875%0.746SS**  trans85117.4160.5-3.30000120.6
1319V29.5Very low31.8Very low132 Ų132121.9 Ų121.980%0.875%0.752SS**  trans-63.9178.7151.5-100.90000111.9
1320P36.1Very low31.4Very low112 Ų112124.3 Ų124.373%0.72776%0.758SS**  cis-136.8172.62.539.4-20.9000117.4
1321A28.7Very low31.1Very low90 Ų90120.9 Ų120.974%0.74476%0.756SS**  trans55.8143.4135.200000125.1
1322S29.8Very low30.9Very low101 Ų101120.5 Ų120.571%0.70676%0.764SS**  123.5125117-95.30000121
1323I28.6Very low30.9Very low161 Ų161118 Ų11883%0.82676%0.764SS**  trans78.8124.6136.1-64.8165000120.6
1324G30.1Very low30.4Very low70 Ų70122 Ų12272%0.72277%0.773SS**  trans111.1140145.700000116.3
1325Q29.6Very low30.2Very low196 Ų196118.9 Ų118.992%0.91677%0.771SS**  cis-161158.4-15.1-146.1169.818.900110
1326A35.7Very low30.2Very low83 Ų83119 Ų11969%0.68677%0.772SS**  trans-81.3168.1177.300000112.9
1327P38.1Very low30.3Very low121 Ų121118.3 Ų118.379%0.78677%0.768SS**  -124.9147.292.85.316.7000112.1
1328A31.7Very low30.6Very low85 Ų85117.5 Ų117.570%0.70277%0.769SS**  62.3127.562.700000112.6
1329V31.5Very low30.9Very low119 Ų119118.3 Ų118.372%0.72177%0.767SS**  -170.6116.885.7147.60000107.2
1330I29.3Very low31.3Very low157 Ų157117.6 Ų117.681%0.80577%0.765SS**  67.2139.1105.6-64.6169.2000115.2
1331A28.7Very low30.9Very low81 Ų81119.2 Ų119.267%0.66977%0.768SS**  cis-177.7171.1-20.500000110
1332A27.9Very low31.1Very low102 Ų102119.5 Ų119.584%0.84377%0.771SS**  trans63.9169160.300000116.8
1333A32.2Very low31.4Very low86 Ų86119.9 Ų119.971%0.71177%0.773SS**  cis-135.9142.2-2.900000108.7
1334H27.3Very low31.6Very low188 Ų188118.6 Ų118.687%0.8777%0.773SS**  66.6116.470.8-109.1-80.6000116.1
1335A27Very low31.9Very low99 Ų99119.8 Ų119.882%0.81877%0.768SS**  trans65.6162.2168.600000116.6
1336A31.5Very low32.1Very low87 Ų87119.1 Ų119.172%0.71976%0.764SS**  cis-141.6132.76.500000109.8
1337S27.9Very low31.8Very low108 Ų108120 Ų12076%0.75577%0.766SS**  53.1114.392.5171.80000116.6
1338L34.3Very low31.9Very low167 Ų167119.4 Ų119.487%0.87476%0.762SS**  trans-160.4124.2137.2-109.9164.5000111.1
1339I33.2Very low31.9Very low139 Ų139120.9 Ų120.971%0.71377%0.767SS**  trans-129.8141.2178.1-52.8168.5000107.7
1340P37.2Very low31.8Very low117 Ų117125.2 Ų125.276%0.7677%0.77SS**  -133.5123125.410.711000111.2
1341N29Very low32Very low147 Ų147125.6 Ų125.679%0.78677%0.773SS**  72.6108.876.5-81.4-7.5000115.4
1342A33.3Very low32Very low96 Ų96128 Ų12879%0.79377%0.774SS**  trans-168.5109130.100000112.8
1343S34.6Very low32.4Very low109 Ų109127.1 Ų127.176%0.76277%0.768SS**  trans35.3124.2144.3-45.80000121.9
1344V33.7Very low32.5Very low134 Ų134132.8 Ų132.881%0.81278%0.779SS**  cis68.2128.946.6-1770000111
1345P35.4Very low33Very low95 Ų95129.5 Ų129.562%0.61777%0.772SS**  cis-140.816238.528-3.8000120.3
1346Q33.8Very low33.4Very low181 Ų181127.9 Ų127.985%0.84677%0.765SS**  trans62.9152.2137.9-69.4162.96.300121
1347S31.1Very low34Very low102 Ų102130.4 Ų130.471%0.71377%0.766SS**  cis-164.4-175.2-21.667.30000108.8
1348P38.5Very low34.8Very low109 Ų109128.5 Ų128.571%0.70876%0.757SS**  -129.9-166.2-109.638.6-17.6000114.6
1349S32.4Very low35.3Very low115 Ų115122.4 Ų122.480%0.80474%0.735SS**  trans75.5152.516181.40000116.6
1350R29.3Very low36.1Very low211 Ų211121.5 Ų121.580%0.79673%0.73SS**  cis-177.5135.3-21.5163.4-176.7-177.1-166.72106.5
1351L33.9Very low37.3Very low164 Ų164121.9 Ų121.986%0.85972%0.722SS**  trans-172.2128.8143.3-107.3163.7000110.5
1352D28.7Very low38.9Very low131 Ų131121.7 Ų121.770%0.70172%0.716SS**  trans-81.3143.6169-43.5-92000108.8
1353A35.8Very low40.5Very low85 Ų85124.2 Ų124.270%0.70271%0.71SS**  trans-150.781.5177.900000112.8T1355A1353-T1355 PolarHBondContact O-N 2.83Å; A1353-T1355 VanDerWaalsContact O-N 3.16Å
1354E34.6Very low41.9Very low205 Ų205124.8 Ų124.896%0.95870%0.703SS**  trans-75.189.9158.5-72.1-170120.700109.7
1355T37.4Very low43.4Very low118 Ų118123.2 Ų123.272%0.72469%0.687SS**  trans-146.3140.6160.946.50000108.5A1353A1353-T1355 PolarHBondContact O-N 2.83Å; A1353-T1355 VanDerWaalsContact O-N 3.16Å
1356G35.2Very low45.2Very low65 Ų65121.4 Ų121.467%0.6768%0.68SS**  cis107.859.518.400000110.5A1358G1356-A1358 PolarHBondContact O-N 3.16Å
1357L45.4Very low46.7Very low140 Ų140118.5 Ų118.573%0.73367%0.67SS**SBendtrans53.7-25.8176.8-80.5163.4000119.9G1359 L1360L1357-G1359 VanDerWaalsContact C-N 3.32Å; L1357-G1359 PolarHBondContact O-N 3.34Å; L1357-L1360 PolarHBondContact O-N 2.84Å
1358A44.6Very low48.7Very low69 Ų69120.1 Ų120.157%0.5766%0.664SS**THydrogen-bonded Turntrans-59.8-34.4-174.400000114.6G1356 L1360 H1361G1356-A1358 PolarHBondContact O-N 3.16Å; A1358-L1360 PolarHBondContact O-N 3.02Å; A1358-H1361 PolarHBondContact O-N 3.38Å; A1358-H1361 VanDerWaalsContact O-N 3.09Å
1359G44.8Very low50.1Low39 Ų39121.4 Ų121.440%0.40266%0.662SS.*Hα-helixtrans-65.91.2-177.600000116.1L1357 K1363L1357-G1359 VanDerWaalsContact C-N 3.32Å; L1357-G1359 PolarHBondContact O-N 3.34Å; G1359-K1363 WeakPolarHBondContact O-CB 3.41Å; G1359-K1363 WeakPolarHBondContact O-CG 3.49Å; G1359-K1363 PolarHBondContact O-N 3.19Å
1360L49.1Very low52Low119 Ų119118.8 Ų118.862%0.62364%0.637SS**Hα-helixtrans-84.2-33.7169.4-105.4168.8000112.9L1357 A1358 L1364L1357-L1360 PolarHBondContact O-N 2.84Å; A1358-L1360 PolarHBondContact O-N 3.02Å; L1360-L1364 PolarHBondContact O-N 2.99Å
1361H61.7Low53.7Low125 Ų125114.3 Ų114.358%0.57963%0.625SS**Hα-helixtrans-68-48.7174.5-165.3-83.5000110.3A1358 K1363 L1364 E1365A1358-H1361 PolarHBondContact O-N 3.38Å; A1358-H1361 VanDerWaalsContact O-N 3.09Å; H1361-K1363 VanDerWaalsContact C-N 3.26Å; H1361-K1363 PolarHBondContact O-N 3.44Å; H1361-L1364 CarbonylContact O-C 3.6Å; H1361-L1364 WeakPolarHBondContact O-CA 3.35Å; H1361-L1364 WeakPolarHBondContact O-CB 3.08Å; H1361-L1364 PolarHBondContact O-N 3.37Å; H1361-E1365 IonicContact CE1-OE1 3.89Å; H1361-E1365 IonicContact CE1-OE2 2.68Å; H1361-E1365 PolarHBondContact CE1-OE2 3.35Å; H1361-E1365 IonicContact ND1-OE2 3.37Å; H1361-E1365 PolarHBondContact ND1-OE2 3Å; H1361-E1365 PolarHBondContact O-N 3.04Å
1362E63.7Low54.9Low144 Ų144110.7 Ų110.767%0.67361%0.607SS**Hα-helixtrans-59-35.4177.6-171.2179.4-159.100112.1A1366E1362-A1366 WeakPolarHBondContact O-CB 3.5Å; E1362-A1366 PolarHBondContact O-N 3.49Å
1363K66.9Low56.2Low149 Ų149110.3 Ų110.365%0.64860%0.595SS**Hα-helixtrans-72.4-30.9172.3-82.1180176.11750113.8G1359 H1361 L1367G1359-K1363 WeakPolarHBondContact O-CB 3.41Å; G1359-K1363 WeakPolarHBondContact O-CG 3.49Å; G1359-K1363 PolarHBondContact O-N 3.19Å; H1361-K1363 VanDerWaalsContact C-N 3.26Å; H1361-K1363 PolarHBondContact O-N 3.44Å; K1363-L1367 WeakPolarHBondContact O-CB 3.2Å; K1363-L1367 WeakPolarHBondContact O-CG 3.43Å; K1363-L1367 PolarHBondContact O-N 2.98Å
1364L64.9Low57Low121 Ų121114.7 Ų114.763%0.63459%0.594SS**Hα-helixtrans-71-41.5173.3-135.678.7000111L1360 H1361 L1367 K1368L1360-L1364 PolarHBondContact O-N 2.99Å; H1361-L1364 CarbonylContact O-C 3.6Å; H1361-L1364 WeakPolarHBondContact O-CA 3.35Å; H1361-L1364 WeakPolarHBondContact O-CB 3.08Å; H1361-L1364 PolarHBondContact O-N 3.37Å; L1364-L1367 PolarHBondContact O-N 3.39Å; L1364-K1368 WeakPolarHBondContact O-CB 3.41Å; L1364-K1368 PolarHBondContact O-N 3.15Å
1365E65.2Low57.7Low101 Ų101111.9 Ų111.947%0.47258%0.581SS.*Hα-helixtrans-69.8-37.6174.5-81.5-179.5130.300112.7H1361 L1367 K1368 M1369H1361-E1365 IonicContact CE1-OE1 3.89Å; H1361-E1365 IonicContact CE1-OE2 2.68Å; H1361-E1365 PolarHBondContact CE1-OE2 3.35Å; H1361-E1365 IonicContact ND1-OE2 3.37Å; H1361-E1365 PolarHBondContact ND1-OE2 3Å; H1361-E1365 PolarHBondContact O-N 3.04Å; E1365-L1367 VanDerWaalsContact C-N 3.35Å; E1365-K1368 PolarHBondContact O-N 3.32Å; E1365-M1369 WeakPolarHBondContact O-CB 3.31Å; E1365-M1369 WeakPolarHBondContact O-CG 3.39Å; E1365-M1369 PolarHBondContact O-N 3.05Å
1366A72Confident58.3Low56 Ų56113 Ų11346%0.46358%0.582SS.*Hα-helixtrans-65.9-36.7172.700000112.1E1362 E1370E1362-A1366 WeakPolarHBondContact O-CB 3.5Å; E1362-A1366 PolarHBondContact O-N 3.49Å; A1366-E1370 VanDerWaalsContact O-CB 3.3Å; A1366-E1370 WeakPolarHBondContact O-CB 3.39Å; A1366-E1370 PolarHBondContact O-N 3.28Å
1367L65Low58.7Low121 Ų121117.1 Ų117.163%0.63459%0.586SS**Hα-helixtrans-68.4-36.5171.5-80.4168.5000112.2K1363 L1364 E1365 Q1371K1363-L1367 WeakPolarHBondContact O-CB 3.2Å; K1363-L1367 WeakPolarHBondContact O-CG 3.43Å; K1363-L1367 PolarHBondContact O-N 2.98Å; L1364-L1367 PolarHBondContact O-N 3.39Å; E1365-L1367 VanDerWaalsContact C-N 3.35Å; L1367-Q1371 PolarHBondContact O-N 3.4Å
1368K73.8Confident58.2Low136 Ų136113.7 Ų113.759%0.59159%0.585SS**Hα-helixtrans-67.2-45.5174.4-170.1179175.8-170.90111.6L1364 E1365 Q1371 D1372L1364-K1368 WeakPolarHBondContact O-CB 3.41Å; L1364-K1368 PolarHBondContact O-N 3.15Å; E1365-K1368 PolarHBondContact O-N 3.32Å; K1368-Q1371 WeakPolarHBondContact O-CB 3.48Å; K1368-Q1371 PolarHBondContact O-N 3.38Å; K1368-Q1371 VanDerWaalsContact O-N 3.14Å; K1368-D1372 PolarHBondContact O-N 2.85Å
1369M68.4Low57.8Low136 Ų136118.1 Ų118.167%0.6760%0.599SS**Hα-helixtrans-64.4-37.7174-76.1-167.6177.900112.5E1365 Q1371 D1372 R1373E1365-M1369 WeakPolarHBondContact O-CB 3.31Å; E1365-M1369 WeakPolarHBondContact O-CG 3.39Å; E1365-M1369 PolarHBondContact O-N 3.05Å; M1369-Q1371 VanDerWaalsContact C-N 3.27Å; M1369-Q1371 PolarHBondContact O-N 3.47Å; M1369-D1372 PolarHBondContact O-N 3.31Å; M1369-R1373 WeakPolarHBondContact O-CB 3.33Å; M1369-R1373 PolarHBondContact O-N 3.02Å
1370E72.1Confident57.3Low60 Ų60123.9 Ų123.928%0.2862%0.62SS.*Hα-helixtrans-73.9-17.9174.5178.859-167.600112.5A1366 R1373 R1374A1366-E1370 VanDerWaalsContact O-CB 3.3Å; A1366-E1370 WeakPolarHBondContact O-CB 3.39Å; A1366-E1370 PolarHBondContact O-N 3.28Å; E1370-R1373 VanDerWaalsContact CD-NH2 3.31Å; E1370-R1373 IonicContact OE1-NH2 3.08Å; E1370-R1373 PolarHBondContact OE1-NH2 3.17Å; E1370-R1373 VanDerWaalsContact OE1-NH2 3.08Å; E1370-R1373 IonicContact OE2-CZ 3.2Å; E1370-R1373 IonicContact OE2-NE 2.83Å; E1370-R1373 PolarHBondContact OE2-NE 2.79Å; E1370-R1373 IonicContact OE2-NH2 2.75Å; E1370-R1373 PolarHBondContact OE2-NH2 3.48Å; E1370-R1374 VanDerWaalsContact O-CD 3.26Å; E1370-R1374 WeakPolarHBondContact O-CD 3.43Å; E1370-R1374 WeakPolarHBondContact O-CG 3.45Å; E1370-R1374 IonicContact OE1-CZ 3.13Å; E1370-R1374 VanDerWaalsContact OE1-CZ 3.24Å; E1370-R1374 IonicContact OE1-NE 2.81Å; E1370-R1374 PolarHBondContact OE1-NE 3.34Å; E1370-R1374 IonicContact OE1-NH2 3.65Å; E1370-R1374 PolarHBondContact OE1-NH2 2.98Å
1371Q63.9Low56.7Low117 Ų117122.3 Ų122.355%0.54763%0.625SS.*Hα-helixtrans-77-52.9165-176.1172-16.200111L1367 K1368 M1369 R1373 R1374 E1375L1367-Q1371 PolarHBondContact O-N 3.4Å; K1368-Q1371 WeakPolarHBondContact O-CB 3.48Å; K1368-Q1371 PolarHBondContact O-N 3.38Å; K1368-Q1371 VanDerWaalsContact O-N 3.14Å; M1369-Q1371 VanDerWaalsContact C-N 3.27Å; M1369-Q1371 PolarHBondContact O-N 3.47Å; Q1371-R1373 VanDerWaalsContact C-N 3.26Å; Q1371-R1373 PolarHBondContact O-N 3.24Å; Q1371-R1374 WeakPolarHBondContact O-CA 3.36Å; Q1371-R1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-R1374 PolarHBondContact O-N 3.39Å; Q1371-E1375 PolarHBondContact NE2-OE1 2.95Å; Q1371-E1375 PolarHBondContact O-N 3.23Å; Q1371-E1375 VanDerWaalsContact O-N 3.16Å
1372D60.6Low55.4Low87 Ų87124.9 Ų124.947%0.46564%0.64SS.*Hα-helixtrans-55.8-41.6177.6-65.8-22.7000110.9K1368 M1369 R1374 E1375 D1376K1368-D1372 PolarHBondContact O-N 2.85Å; M1369-D1372 PolarHBondContact O-N 3.31Å; D1372-R1374 PolarHBondContact O-N 3.29Å; D1372-E1375 PolarHBondContact O-N 2.64Å; D1372-E1375 VanDerWaalsContact O-N 3.09Å; D1372-D1376 PolarHBondContact O-N 2.96Å
1373R54.1Low54Low123 Ų123120.8 Ų120.846%0.46464%0.637SS.*Hα-helixtrans-73.5-5.8176.7-158.9-16167.168.72.7114.2M1369 E1370 Q1371M1369-R1373 WeakPolarHBondContact O-CB 3.33Å; M1369-R1373 PolarHBondContact O-N 3.02Å; E1370-R1373 VanDerWaalsContact CD-NH2 3.31Å; E1370-R1373 IonicContact OE1-NH2 3.08Å; E1370-R1373 PolarHBondContact OE1-NH2 3.17Å; E1370-R1373 VanDerWaalsContact OE1-NH2 3.08Å; E1370-R1373 IonicContact OE2-CZ 3.2Å; E1370-R1373 IonicContact OE2-NE 2.83Å; E1370-R1373 PolarHBondContact OE2-NE 2.79Å; E1370-R1373 IonicContact OE2-NH2 2.75Å; E1370-R1373 PolarHBondContact OE2-NH2 3.48Å; Q1371-R1373 VanDerWaalsContact C-N 3.26Å; Q1371-R1373 PolarHBondContact O-N 3.24Å
1374R54.5Low52.5Low178 Ų178120.3 Ų120.367%0.67265%0.647SS**Hα-helixtrans-97.9-16.5167.7-77.3173.2-172.1-151.11112.9E1370 Q1371 D1372E1370-R1374 VanDerWaalsContact O-CD 3.26Å; E1370-R1374 WeakPolarHBondContact O-CD 3.43Å; E1370-R1374 WeakPolarHBondContact O-CG 3.45Å; E1370-R1374 IonicContact OE1-CZ 3.13Å; E1370-R1374 VanDerWaalsContact OE1-CZ 3.24Å; E1370-R1374 IonicContact OE1-NE 2.81Å; E1370-R1374 PolarHBondContact OE1-NE 3.34Å; E1370-R1374 IonicContact OE1-NH2 3.65Å; E1370-R1374 PolarHBondContact OE1-NH2 2.98Å; Q1371-R1374 WeakPolarHBondContact O-CA 3.36Å; Q1371-R1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-R1374 PolarHBondContact O-N 3.39Å; D1372-R1374 PolarHBondContact O-N 3.29Å
1375E49Very low51Low145 Ų145120 Ų12068%0.67865%0.65SS**Hα-helixtrans-89.3-10.1172.3-63.7179.6-155.100111.4Q1371 D1372Q1371-E1375 PolarHBondContact NE2-OE1 2.95Å; Q1371-E1375 PolarHBondContact O-N 3.23Å; Q1371-E1375 VanDerWaalsContact O-N 3.16Å; D1372-E1375 PolarHBondContact O-N 2.64Å; D1372-E1375 VanDerWaalsContact O-N 3.09Å
1376D48.7Very low49.5Very low143 Ų143120.9 Ų120.977%0.76566%0.662SS**SBendtrans-114.734.9-178.9-160.835.8000114.8D1372D1372-D1376 PolarHBondContact O-N 2.96Å
1377M43.6Very low47.8Very low150 Ų150123.7 Ų123.774%0.73967%0.674SS**  trans-132.4108.2165.3-81.8-165172.400110.7
1378G35.1Very low46.5Very low69 Ų69125.3 Ų125.371%0.71168%0.684SS**  trans-98.2169.2-172.700000116.8
1379D36.3Very low44.6Very low161 Ų161122.8 Ų122.886%0.86170%0.696SS**  trans78.5148.5147.1-59.4-28.4000123
1380D35.9Very low43.2Very low161 Ų161125.5 Ų125.586%0.86170%0.704SS**  trans61.692.3162.1-68.6-25.1000121.2
1381A35.3Very low41.8Very low86 Ų86130.5 Ų130.571%0.71173%0.732SS**  -174.7122.1102.700000114.9
1382I35.5Very low40.8Very low178 Ų178133.7 Ų133.791%0.91375%0.747SS**  trans53120.1145.1-48.9163.1000118.1
1383G34.5Very low40.3Very low58 Ų58134.5 Ų134.560%0.59875%0.751SS**  cis151.3143-1.900000112.4
1384T34.6Very low40Very low140 Ų140133.1 Ų133.186%0.85976%0.758SS**  trans67.6138.2178.567.50000116.2
1385T33.8Very low39.9Very low114 Ų114130.5 Ų130.570%0.69976%0.756SS**  cis-160.1137.532.50000111.6
1386T34.1Very low40.3Very low119 Ų119131.5 Ų131.573%0.7377%0.766SS**  trans39.4138.3142.357.10000121.5
1387T35Very low41.2Very low116 Ų116128.1 Ų128.171%0.71275%0.75SS**  cis-165.9160.5125.60000112
1388D37.1Very low41.9Very low155 Ų155128.7 Ų128.783%0.82976%0.756SS**  trans48.792.5153.8-64.15.4000119.5
1389G34.4Very low43.6Very low82 Ų82132.7 Ų132.785%0.84575%0.753SS**  trans-84175.7155.200000112.9
1390K38.9Very low45.3Very low193 Ų193125.4 Ų125.484%0.83972%0.717SS**  trans-137144166.8-136174-172.2174.10107.5E1392K1390-E1392 PolarHBondContact O-N 3.35Å
1391D42.4Very low46.7Very low165 Ų165122 Ų12288%0.88270%0.698SS**  trans-65.2104.1-156.2-45.9-91.2000113.9
1392E43.3Very low48.3Very low185 Ų185120.8 Ų120.886%0.86469%0.688SS**  trans-91.9125.6164.5-73-164.9129.600110.1K1390 P1394K1390-E1392 PolarHBondContact O-N 3.35Å; E1392-P1394 WeakPolarHBondContact O-CD 3.44Å
1393I51.4Low50Low104 Ų104116.4 Ų116.453%0.53366%0.664SS.*  trans-77.5124.5174.9-62.6169.8000108.4I1395I1393-I1395 PolarHBondContact O-N 3.06Å
1394P46.8Very low51.3Low94 Ų94115.9 Ų115.961%0.6165%0.654SS**  trans-69.6100.9175.6-19.733.6000111.4E1392 D1396 T1397E1392-P1394 WeakPolarHBondContact O-CD 3.44Å; P1394-D1396 PolarHBondContact O-N 3.48Å; P1394-T1397 PolarHBondContact O-OG1 3.27Å
1395I52.8Low52.6Low122 Ų122113.9 Ų113.963%0.62664%0.637SS**THydrogen-bonded Turntrans-67.7-18.6-177.2-65173.8000112.1I1393 T1397I1393-I1395 PolarHBondContact O-N 3.06Å; I1395-T1397 PolarHBondContact O-N 3.45Å
1396D56.5Low54.2Low166 Ų166110.1 Ų110.189%0.88862%0.621SS**THydrogen-bonded Turntrans-75.51.9-175.4-59.5-50.1000115.4P1394P1394-D1396 PolarHBondContact O-N 3.48Å
1397T68.7Low55.5Low73 Ų73110.7 Ų110.745%0.44861%0.613SS.*SBendtrans-105.3140.2174.161.60000111.9P1394 I1395 K1399 G1400 L1401P1394-T1397 PolarHBondContact O-OG1 3.27Å; I1395-T1397 PolarHBondContact O-N 3.45Å; T1397-K1399 PolarHBondContact O-N 3.39Å; T1397-K1399 VanDerWaalsContact O-N 3.17Å; T1397-G1400 PolarHBondContact O-N 3.34Å; T1397-G1400 PolarHBondContact OG1-N 3.17Å; T1397-L1401 PolarHBondContact O-N 2.98Å
1398L57.7Low56.2Low162 Ų162110.7 Ų110.785%0.84861%0.613SS**Hα-helixtrans-57.1-33.7176.4-144.690.1000111.9A1402L1398-A1402 WeakPolarHBondContact O-CB 3.46Å; L1398-A1402 PolarHBondContact O-N 3.25Å
1399K71.6Confident56.9Low152 Ų152109 Ų10966%0.66160%0.603SS**Hα-helixtrans-67.6-46.9173.3-173.8-176.7174.8-170.30112.1T1397 L1401 A1402 E1403T1397-K1399 PolarHBondContact O-N 3.39Å; T1397-K1399 VanDerWaalsContact O-N 3.17Å; K1399-L1401 VanDerWaalsContact C-N 3.29Å; K1399-L1401 PolarHBondContact O-N 2.97Å; K1399-A1402 PolarHBondContact O-N 3.14Å; K1399-E1403 WeakPolarHBondContact CE-OE1 3.29Å; K1399-E1403 PolarHBondContact O-N 2.92Å
1400G71.1Confident57.4Low9 Ų9113 Ų1139%0.09360%0.599CS.*Hα-helixtrans-59.6-39.1175.300000112.6T1397 A1404T1397-G1400 PolarHBondContact O-N 3.34Å; T1397-G1400 PolarHBondContact OG1-N 3.17Å; G1400-A1404 VanDerWaalsContact O-CB 3.28Å; G1400-A1404 WeakPolarHBondContact O-CB 3.26Å; G1400-A1404 PolarHBondContact O-N 3.01Å
1401L66.3Low57.6Low88 Ų88107.5 Ų107.546%0.46159%0.589SS.*Hα-helixtrans-69.2-40.1175.3-159.9154.3000112T1397 K1399 A1404 L1405T1397-L1401 PolarHBondContact O-N 2.98Å; K1399-L1401 VanDerWaalsContact C-N 3.29Å; K1399-L1401 PolarHBondContact O-N 2.97Å; L1401-A1404 PolarHBondContact O-N 3.35Å; L1401-L1405 HydrophobicContact CD2-CD1 3.66Å; L1401-L1405 HydrophobicContact CD2-CG 4.14Å; L1401-L1405 WeakPolarHBondContact O-CG 3.33Å; L1401-L1405 PolarHBondContact O-N 2.9Å
1402A67.8Low57.2Low61 Ų61107.6 Ų107.650%0.50459%0.59SS.*Hα-helixtrans-64.5-42.1173.600000112.7L1398 K1399 L1405 G1406L1398-A1402 WeakPolarHBondContact O-CB 3.46Å; L1398-A1402 PolarHBondContact O-N 3.25Å; K1399-A1402 PolarHBondContact O-N 3.14Å; A1402-L1405 PolarHBondContact O-N 3.13Å; A1402-G1406 PolarHBondContact O-N 3.42Å
1403E71.3Confident56.7Low87 Ų87102.4 Ų102.441%0.40759%0.586SS.*Hα-helixtrans-67.4-36.1174.4-75.2-172.9-151.100112.5K1399 K1407K1399-E1403 WeakPolarHBondContact CE-OE1 3.29Å; K1399-E1403 PolarHBondContact O-N 2.92Å; E1403-K1407 WeakPolarHBondContact O-CB 3.41Å; E1403-K1407 WeakPolarHBondContact O-CD 3.34Å; E1403-K1407 VanDerWaalsContact O-CG 3.27Å; E1403-K1407 WeakPolarHBondContact O-CG 3.49Å; E1403-K1407 PolarHBondContact O-N 3.48Å; E1403-K1407 IonicContact OE2-NZ 2.94Å; E1403-K1407 PolarHBondContact OE2-NZ 2.98Å
1404A61.5Low55.9Low47 Ų47108.9 Ų108.939%0.38860%0.604SS.*Hα-helixtrans-64.7-44.3173.800000111.6G1400 L1401 K1407 V1408G1400-A1404 VanDerWaalsContact O-CB 3.28Å; G1400-A1404 WeakPolarHBondContact O-CB 3.26Å; G1400-A1404 PolarHBondContact O-N 3.01Å; L1401-A1404 PolarHBondContact O-N 3.35Å; A1404-K1407 PolarHBondContact O-N 3.44Å; A1404-V1408 WeakPolarHBondContact O-CG2 3.35Å; A1404-V1408 PolarHBondContact O-N 3.21Å
1405L62.8Low55.3Low97 Ų97112.2 Ų112.251%0.50861%0.611SS.*Hα-helixtrans-64.6-43.5174.4-73.4175.4000112L1401 A1402 K1407 V1408 I1409L1401-L1405 HydrophobicContact CD2-CD1 3.66Å; L1401-L1405 HydrophobicContact CD2-CG 4.14Å; L1401-L1405 WeakPolarHBondContact O-CG 3.33Å; L1401-L1405 PolarHBondContact O-N 2.9Å; A1402-L1405 PolarHBondContact O-N 3.13Å; L1405-K1407 VanDerWaalsContact C-N 3.3Å; L1405-K1407 PolarHBondContact O-N 2.86Å; L1405-V1408 PolarHBondContact O-N 3.49Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.31Å; L1405-I1409 PolarHBondContact O-N 3.16Å
1406G66.2Low54.4Low35 Ų35113.2 Ų113.236%0.36162%0.623SS.*Hα-helixtrans-58-40.9175.800000112.9A1402 V1408 I1409A1402-G1406 PolarHBondContact O-N 3.42Å; G1406-V1408 VanDerWaalsContact C-N 3.28Å; G1406-V1408 PolarHBondContact O-N 3.28Å; G1406-I1409 PolarHBondContact O-N 3.03Å
1407K62.8Low53.5Low132 Ų132111.3 Ų111.357%0.57462%0.618SS**Hα-helixtrans-71-17.1175.7-72.5163.9-176.1156.80113.9E1403 A1404 L1405E1403-K1407 WeakPolarHBondContact O-CB 3.41Å; E1403-K1407 WeakPolarHBondContact O-CD 3.34Å; E1403-K1407 VanDerWaalsContact O-CG 3.27Å; E1403-K1407 WeakPolarHBondContact O-CG 3.49Å; E1403-K1407 PolarHBondContact O-N 3.48Å; E1403-K1407 IonicContact OE2-NZ 2.94Å; E1403-K1407 PolarHBondContact OE2-NZ 2.98Å; A1404-K1407 PolarHBondContact O-N 3.44Å; L1405-K1407 VanDerWaalsContact C-N 3.3Å; L1405-K1407 PolarHBondContact O-N 2.86Å
1408V49.4Very low51.9Low115 Ų115113.4 Ų113.470%0.69763%0.632SS**Hα-helixtrans-92.7-26.5175.5170.20000112.4A1404 L1405 G1406A1404-V1408 WeakPolarHBondContact O-CG2 3.35Å; A1404-V1408 PolarHBondContact O-N 3.21Å; L1405-V1408 PolarHBondContact O-N 3.49Å; G1406-V1408 VanDerWaalsContact C-N 3.28Å; G1406-V1408 PolarHBondContact O-N 3.28Å
1409I50.7Low50.8Low121 Ų121114.4 Ų114.462%0.62164%0.635SS**Hα-helixtrans-83-24.4-176.4-69.2166.5000112.8L1405 G1406L1405-I1409 WeakPolarHBondContact O-CG1 3.31Å; L1405-I1409 PolarHBondContact O-N 3.16Å; G1406-I1409 PolarHBondContact O-N 3.03Å
1410H45.4Very low49.3Very low166 Ų166112.2 Ų112.277%0.76964%0.637SS**SBendtrans-115.468.5-178.7-70-74.4000113.4
1411A42.6Very low47.8Very low76 Ų76117.2 Ų117.263%0.62867%0.667SS**SBendtrans-135.925.9-177.900000115.8
1412D34.4Very low46.4Very low167 Ų167121 Ų12189%0.89369%0.688SS**SBendtrans-157.952157.7-124.4-16.8000112.8
1413G33.6Very low45.1Very low77 Ų77126.5 Ų126.579%0.79470%0.703SS**  trans-113.681.8175.100000111.1
1414R33.8Very low43.6Very low240 Ų240127.2 Ų127.291%0.90672%0.715SS**  trans-81.3131.1-174-155.8172.7-164.3136.85.1112.1
1415E34.2Very low42.4Very low164 Ų164131.9 Ų131.977%0.76673%0.733SS**  trans-64.4146-171.2-56.7139.2104.300113.7
1416T34.7Very low41.1Very low142 Ų142133.7 Ų133.787%0.87174%0.743SS**  trans-133.4120.714238.50000108.6
1417T37.4Very low39.7Very low126 Ų126137.9 Ų137.977%0.77376%0.762SS**  trans-84.5136-173.5-39.20000110.9
1418P33.9Very low38.3Very low117 Ų117139.3 Ų139.376%0.7678%0.776SS**  trans-87142.8178.733.7-34.2000112.7
1419M35.1Very low37.7Very low183 Ų183137.3 Ų137.390%0.90177%0.771SS**  trans-148.7155.1148.6-96.6-153.771.200110.6
1420P40.1Very low37.1Very low107 Ų107136.9 Ų136.970%0.69578%0.779SS**  trans-121.7-154.4-154.145-27.5000111.4
1421P39.7Very low36.6Very low113 Ų113134.4 Ų134.473%0.73478%0.776SS**  -123.6169.1-107.235.9-17.2000114.3
1422D36.4Very low36.2Very low168 Ų168138.1 Ų138.190%0.89878%0.78SS**  trans-159.5171.5141.1-121.2-35.8000112.5
1423H41.2Very low36.1Very low176 Ų176137.3 Ų137.382%0.81577%0.771SS**  trans-101.3-173.7-155.8-124.1-40.8000114.9
1424P40.3Very low35.9Very low103 Ų103140.3 Ų140.367%0.66977%0.768SS**  trans-111.5169.2-130.841.9-28.4000115.5
1425D35.7Very low35.9Very low144 Ų144136.3 Ų136.377%0.7776%0.763SS**  -160160.5129.5-130.8-10.8000117.3
1426L35.9Very low35.8Very low136 Ų136133.6 Ų133.671%0.71276%0.762SS**  trans-13.1150169.7-71.6157.6000125.3
1427T37.1Very low36Very low122 Ų122132.3 Ų132.375%0.74876%0.756SS**  trans7699.614048.30000123.8
1428D32.9Very low35.9Very low162 Ų162131.4 Ų131.487%0.86676%0.755SS**  67.5158.5105.3-154.120.3000122.9
1429A37.4Very low35.8Very low73 Ų73132.9 Ų132.960%0.60376%0.757SS**  trans80.693.9158.500000122
1430S37.1Very low36.1Very low113 Ų113130.4 Ų130.479%0.7975%0.754SS**  88.6131.3113.4-70.10000125
1431T36.3Very low35.7Very low114 Ų114131.9 Ų131.970%0.69976%0.756SS**  trans89.897.1137.4-590000121.7
1432Q32.4Very low35.2Very low154 Ų154132.2 Ų132.272%0.7276%0.756SS**  38.7133.4127.5-45.1177.119.900122.4
1433Q33.3Very low34.9Very low149 Ų149131.5 Ų131.570%0.69675%0.751SS**  152.2121.2108-79.2-150.6-1.300115.2
1434L30.1Very low34.4Very low140 Ų140128.1 Ų128.173%0.73374%0.743SS**  trans69.6149.4137.3-87.5142.1000123.7
1435I34Very low33.8Very low157 Ų157128.1 Ų128.181%0.80574%0.742SS**  trans83.2106.6160.1-61.2147.9000118.2
1436S30.2Very low33.7Very low107 Ų107129 Ų12975%0.74874%0.743SS**  trans-83.6178.7159.4-33.60000110.5
1437P39.1Very low33.6Very low114 Ų114127 Ų12774%0.7474%0.74SS**  cis-144.7-157.11244.1-22.8000115.6
1438S36.7Very low33.2Very low108 Ų108125.8 Ų125.876%0.75574%0.737SS**  trans81.7138157.542.70000120.9
1439N31.8Very low33.2Very low148 Ų148122.7 Ų122.779%0.79173%0.734SS**  trans-54.7158.1-170.2-49.11.2000116.2
1440P40.4Very low32.9Very low130 Ų130124.4 Ų124.484%0.84474%0.737SS**  -125.8166.4122.737.9-32.6000113.8
1441D31.1Very low32.6Very low139 Ų139124.7 Ų124.774%0.74373%0.725SS**  trans-116.9142.8179.4-112.2-44.5000110.5
1442V30.4Very low32.4Very low120 Ų120121.8 Ų121.873%0.72772%0.718SS**  trans66.6158.7147.7-179.60000118.6
1443L30.1Very low32.4Very low152 Ų152117.8 Ų117.880%0.79671%0.707SS**  trans72.6155.2175.9-64.2122.2000118.2
1444T29.1Very low32.3Very low105 Ų105114 Ų11464%0.64470%0.702SS**  cis-170.4149.9-34.5-158.60000111.9
1445T29.8Very low32.4Very low104 Ų104112.5 Ų112.564%0.63870%0.702SS**  trans62.6169.8149.7-45.70000118.8
1446M33.4Very low32.2Very low161 Ų161109.7 Ų109.779%0.79370%0.697SS**  trans74.3134174.2-49.9-66.7164.800114.4
1447S32.6Very low32.2Very low94 Ų94110 Ų11066%0.65769%0.694SS**  cis-162.7121.5-11.4-125.70000107.8
1448S30.1Very low31.7Very low98 Ų98112.3 Ų112.369%0.68570%0.697SS**  83.311784.774.50000116.6
1449A31.9Very low31.3Very low97 Ų97113.2 Ų113.280%0.80269%0.692SS**  trans71.3163.6157.900000117.6
1450V31.8Very low31.3Very low109 Ų109114.6 Ų114.666%0.66169%0.694SS**  cis-138.9168.58.5-144.20000112.5I775I775-V1450 HydrophobicContact CD1-CG1 4.39Å
1451E29.6Very low30.7Very low119 Ų119115.6 Ų115.656%0.55669%0.692SS**  trans-73.1166.9178.1-50.4158.4143.300114.3I775I775-E1451 VanDerWaalsContact CA-OE2 3.3Å; I775-E1451 WeakPolarHBondContact CA-OE2 3.36Å; I775-E1451 VanDerWaalsContact CG1-OE2 3.25Å; I775-E1451 WeakPolarHBondContact CG1-OE2 3.38Å
1452G32.5Very low30.8Very low52 Ų52116.7 Ų116.754%0.53670%0.696SS.*  trans-162.136.5-173.600000120.7
1453S32.6Very low30.7Very low70 Ų70115 Ų11549%0.4968%0.683SS.*  trans-14.2157.9171.2-43.40000123.2T773T773-S1453 PolarHBondContact N-O 3.04Å
1454A31.8Very low30.7Very low71 Ų71111.3 Ų111.359%0.58768%0.675SS**  trans88.1150.2151.200000119
1455S31.1Very low30.7Very low107 Ų107111 Ų11175%0.74868%0.677SS**  cis-173.3167.8-18.1-96.70000111.7
1456S30.7Very low30.5Very low99 Ų99112 Ų11269%0.69268%0.683SS**  trans86.2112.3146.3-133.80000122.8
1457T29.6Very low30.4Very low112 Ų112109.6 Ų109.669%0.68768%0.682SS**  65.4127.2127.253.60000124.1
1458M28.8Very low30.2Very low163 Ų163109.5 Ų109.580%0.80369%0.687SS**  trans91.6125.8130.8-82.5179.7178.600122.5
1459I29.2Very low30.3Very low128 Ų128111.6 Ų111.666%0.65670%0.695SS**  trans89.8123.7132.3-72.2169.7000119.9
1460E30.2Very low30.2Very low176 Ų176114.1 Ų114.182%0.82270%0.695SS**  trans64.5139.6154.1-75.7158.8-160.500121.8
1461D29.5Very low30.2Very low152 Ų152112 Ų11281%0.81369%0.69SS**  trans-69149.1172.2-45.5-97.7000112.2
1462I32.8Very low30.3Very low161 Ų161111.2 Ų111.283%0.82670%0.697SS**  trans-163.3149.8146.8-109.5153.6000111.2
1463D28.2Very low30.4Very low86 Ų86116 Ų11646%0.4671%0.707SS.*  trans-57.8172174.3-64.1-91.2000115.2R669R669-D1463 IonicContact CZ-OD2 3.18Å; R669-D1463 IonicContact NH1-OD1 2.71Å; R669-D1463 IonicContact NH1-OD2 2.76Å; R669-D1463 PolarHBondContact NH1-OD2 2.8Å; R669-D1463 IonicContact NH2-OD2 2.89Å; R669-D1463 PolarHBondContact NH2-OD2 3.49Å
1464A30.1Very low30.5Very low74 Ų74119.2 Ų119.261%0.61272%0.716SS**  trans96.686.3139.400000119.8
1465S27.7Very low30.6Very low99 Ų99122.4 Ų122.469%0.69272%0.723SS**  82.1165.1108.1780000121.8
1466T27Very low30.6Very low123 Ų123122.7 Ų122.776%0.75573%0.725SS**  trans78.8142.3157.853.90000121.4
1467S30.5Very low30.7Very low111 Ų111126.9 Ų126.978%0.77674%0.736SS**  trans57.2110.2163.343.80000117.5
1468A29.1Very low30.9Very low93 Ų93126.9 Ų126.977%0.76974%0.738SS**  cis81.3105.337.200000115.7
1469V32.2Very low31.2Very low142 Ų142125.7 Ų125.786%0.86174%0.742SS**  -127.2123.3129.9-800000105.3
1470D29.6Very low31.4Very low150 Ų150123.2 Ų123.280%0.80275%0.749SS**  cis76125.134.1-150.379.9000111.8
1471A31Very low31.4Very low65 Ų65118.8 Ų118.854%0.53774%0.742SS.*  cis-168.8-176.4-11.800000112.1
1472S32Very low31.5Very low101 Ų101120 Ų12071%0.70674%0.743SS**  trans84.1150.5145.788.40000116.3
1473M34Very low31.4Very low152 Ų152118.8 Ų118.875%0.74974%0.738SS**  cis-136.4162.67.1-75.3-171.2178.300109.4
1474M36.1Very low31.5Very low138 Ų138118.8 Ų118.868%0.6875%0.745SS**  cis-172.7161.9-12.3-102.7-178.7-179.400106
1475N33.1Very low31.6Very low139 Ų139120.6 Ų120.674%0.74375%0.749SS**  cis-153.3163.5-4.7-129.7-12.6000110.2
1476S31.6Very low31.7Very low113 Ų113121.6 Ų121.679%0.7975%0.746SS**  trans-112.4157.2179.9-51.40000113.1
1477M33.3Very low31.9Very low187 Ų187124.7 Ų124.792%0.92175%0.752SS**  trans-158.1153.6167.4-114.3-173.817400110.4
1478P33.1Very low31.8Very low111 Ų111126.3 Ų126.372%0.72175%0.75SS**  -125.2162.3-9039.5-30.2000114.7
1479P35.6Very low32.3Very low138 Ų138127.5 Ų127.590%0.89675%0.75SS**  trans-93148.316836.1-32.2000113
1480G32.4Very low32Very low77 Ų77125.6 Ų125.679%0.79475%0.749SS**  trans155.2143.9169.500000112.2
1481A31.6Very low31.8Very low83 Ų83122.2 Ų122.269%0.68674%0.742SS**  cis-160.6151.9-11.100000110.2
1482Q30.8Very low31.7Very low178 Ų178127.7 Ų127.783%0.83276%0.759SS**  trans65145.8157.8-68.4166.3-13.800117.6
1483N30.3Very low31.4Very low135 Ų135128.8 Ų128.872%0.72276%0.761SS**  cis-150.5159.7-6.6-137.316.3000112.3
1484S31.3Very low31.3Very low86 Ų86129.2 Ų129.260%0.60177%0.766SS**  trans21.7149.2146.866.70000121.2
1485T31.3Very low30.8Very low112 Ų112127.7 Ų127.769%0.68777%0.769SS**  cis-163.7141.745.2-43.30000113.4
1486D29.7Very low30.8Very low119 Ų119128.7 Ų128.764%0.63677%0.771SS**  trans9.2131.3157.4-42.6-30.3000123.2
1487Q31.5Very low30.6Very low189 Ų189130.3 Ų130.388%0.88377%0.771SS**  -175.7106.3116.3-95.3149102.500107.4
1488I28.6Very low30.3Very low145 Ų145129.1 Ų129.174%0.74476%0.763SS**  67.4124.374-62.3-179000112.1
1489P38.7Very low30Very low118 Ų118131.3 Ų131.377%0.76676%0.764SS**  trans-97.9-153.6-168.742.7-39.4000112.9
1490A27Very low29.5Very low101 Ų101130 Ų13084%0.83576%0.757SS**  trans73.2157.6-16600000112.1
1491A25.7Very low29.3Very low80 Ų80129.8 Ų129.866%0.66175%0.747SS**  cis173.1-179.8-21.700000104.3
1492M28Very low29Very low179 Ų179131.6 Ų131.688%0.88274%0.741SS**  trans71.7126.4178.1-54-170.6-177.500113.4
1493T26.4Very low29.1Very low124 Ų124126.5 Ų126.576%0.76173%0.726SS**  cis93.914346.7-61.90000111.2
1494L30.6Very low29Very low161 Ų161123.1 Ų123.184%0.84371%0.706SS**  trans77124.4-169.3-46179.2000112.4
1495S26.7Very low29.1Very low107 Ų107124.4 Ų124.475%0.74871%0.711SS**  cis99.2151.834.5-169.40000112.3
1496M32.6Very low29.2Very low159 Ų159124.4 Ų124.478%0.78372%0.715SS**  trans78.992.1-179.9-55-178.467.700117.6
1497D27Very low29.2Very low148 Ų148123.6 Ų123.679%0.79172%0.719SS**  55.8146.8117.1-57.7-57.8000124.1
1498Q27.3Very low29.3Very low162 Ų162122 Ų12276%0.75772%0.715SS**  trans97.9103.5138.6-151.2150.219.600121.8
1499E26.8Very low29.3Very low157 Ų157120.1 Ų120.173%0.73471%0.71SS**  trans53.4116.2136.7-67.5-177.496.600124.1
1500C25.1Very low28.9Very low110 Ų110125 Ų12574%0.74371%0.713SS**  60.9100.9112.5-154.70000121.4
1501A27.3Very low29Very low72 Ų72126.5 Ų126.560%0.59571%0.707SS**  trans39.6131.7138.600000120.1
1502Q26.9Very low29.3Very low121 Ų121128 Ų12857%0.56571%0.709SS**  -156.8167.688.3-108.1141.2103.500118.2
1503S32.3Very low29.3Very low72 Ų72125.4 Ų125.450%0.50370%0.703SS.*  trans-76.7175.7178.5178.30000113L1285L1285-S1503 VanDerWaalsContact CD1-O 3.3Å; L1285-S1503 WeakPolarHBondContact CD1-O 3.26Å
1504M28.8Very low29.5Very low64 Ų64122.5 Ų122.532%0.31570%0.698SS.*  trans-132.8151.4140.2-80.8-141.1176.300112.8L1281 E1284 L1285L1281-M1504 HydrophobicContact CB-CG 4.28Å; L1281-M1504 HydrophobicContact CD2-CB 3.91Å; L1281-M1504 HydrophobicContact CD2-CG 4.36Å; L1281-M1504 HydrophobicContact CG-CB 3.83Å; L1281-M1504 HydrophobicContact CG-CG 3.79Å; L1281-M1504 HydrophobicContact CG-SD 4.07Å; L1281-M1504 WeakPolarHBondContact O-CE 3.34Å; L1281-M1504 VanDerWaalsContact O-CG 3.24Å; L1281-M1504 WeakPolarHBondContact O-CG 3.41Å; E1284-M1504 HydrophobicContact CB-CE 3.39Å; L1285-M1504 HydrophobicContact CB-CE 3.94Å; L1285-M1504 HydrophobicContact CD1-CG 4.26Å; L1285-M1504 HydrophobicContact CG-CE 4.09Å; L1285-M1504 HydrophobicContact CG-CG 4.37Å
1505T33.2Very low29.4Very low112 Ų112121 Ų12169%0.68770%0.696SS**  trans-139.1163.7-174.159.40000111
1506S33.2Very low29.5Very low112 Ų112124.6 Ų124.678%0.78370%0.698SS**  trans-167.3144153.834.10000110.2
1507S30.1Very low29.4Very low103 Ų103124.6 Ų124.672%0.7270%0.7SS**  cis-167.4167.3-10.6-1120000112.1
1508I32Very low29.5Very low155 Ų155121.5 Ų121.580%0.79570%0.695SS**  trans77.3148.2157.2-70.1155.7000118.7
1509T30.3Very low29.6Very low106 Ų106119.1 Ų119.165%0.6569%0.692SS**  -177.4168.1-76.343.20000112
1510R30.6Very low29.6Very low219 Ų219121 Ų12183%0.82670%0.698SS**  trans84.8143.8162.1-61.2177.9178.7164.40.7118.2
1511N28.8Very low29.8Very low133 Ų133122.6 Ų122.671%0.71170%0.695SS**  cis-171140.1-14.3-113.910.8000114.1
1512T30.9Very low29.8Very low113 Ų113125.5 Ų125.569%0.69370%0.7SS**  trans50.3151.1136.2-154.30000121.7
1513T29.3Very low30Very low123 Ų123126.6 Ų126.676%0.75571%0.709SS**  cis-166.6141.629.4-35.90000115.2
1514G29.7Very low30Very low64 Ų64133 Ų13366%0.6673%0.731SS**  trans66.5169.4144.400000120.9
1515T29.4Very low30.2Very low129 Ų129135.5 Ų135.579%0.79175%0.75SS**  cis179160.2-12.426.30000107.6
1516K28.1Very low30Very low182 Ų182133.2 Ų133.279%0.79174%0.743SS**  cis-167177.70.1-120.5174.7-179.2-179.10109.8
1517L29.6Very low29.9Very low159 Ų159135.8 Ų135.883%0.83275%0.746SS**  trans76.5135.4169.3-58.2119.3000117
1518A29.6Very low29.8Very low83 Ų83135.7 Ų135.769%0.68675%0.746SS**  cis91.1139.424.200000114.7
1519T28.8Very low29.5Very low112 Ų112133.8 Ų133.869%0.68775%0.747SS**  cis-170.2150.1-11.4-83.60000107.5
1520F28.6Very low29.3Very low197 Ų197134.7 Ų134.786%0.86475%0.752SS**  trans-165.6163.9138.5-117.7-77.6000113.1
1521E28.3Very low29.4Very low144 Ų144132.7 Ų132.767%0.67376%0.757SS**  trans-113.7-173.6-164.4-58.2174106.400113.9
1522N27.2Very low29.4Very low132 Ų132129.4 Ų129.471%0.70675%0.754SS**  trans75.993.9170.7-60.3-40.3000118.3
1523L30.8Very low29.3Very low144 Ų144129.9 Ų129.975%0.75476%0.757SS**SBendtrans-137.8-3.8157.2-125.1160.8000114.4A1526L1523-A1526 HydrophobicContact CD2-CB 4.27Å
1524E32.9Very low29.3Very low207 Ų207132.1 Ų132.197%0.96776%0.759SS**THydrogen-bonded Turntrans-83.7-12.5175-78.3-179.2111.700114.3
1525T32.6Very low29.2Very low116 Ų116135.8 Ų135.871%0.71276%0.762SS**THydrogen-bonded Turntrans-104.26.4177.4-27.60000112.9
1526A30.1Very low29.2Very low65 Ų65140.7 Ų140.754%0.53777%0.766SS.*SBendtrans-97.9-1.4-165.700000115.7L1523L1523-A1526 HydrophobicContact CD2-CB 4.27Å
1527L30.7Very low29.5Very low165 Ų165139.7 Ų139.786%0.86476%0.764SS**SBendtrans-116.331179-67.7177000113
1528S26.7Very low29.6Very low101 Ų101138.3 Ų138.371%0.70676%0.764SS**SBendtrans-145.6101.8171.4-77.30000112.6
1529S26.8Very low29.6Very low116 Ų116140.9 Ų140.981%0.81177%0.767SS**  trans84134.5162.9830000120.8
1530T26.7Very low29.7Very low125 Ų125140.1 Ų140.177%0.76777%0.772SS**  trans96.291.4143-41.50000121.1
1531L31.3Very low29.9Very low176 Ų176136.2 Ų136.292%0.92177%0.766SS**  trans-165.2145.4136.1-124.176.4000105.5
1532G29.4Very low29.9Very low64 Ų64134.5 Ų134.566%0.6677%0.77SS**  cis125.8126.68.100000109.3
1533T29.3Very low29.9Very low123 Ų123132.9 Ų132.976%0.75577%0.769SS**  cis-160.11728.452.10000112.1
1534H29Very low29.9Very low170 Ų170135.7 Ų135.779%0.78777%0.77SS**  trans68.1146.1165.6-67.7-67.2000118.7
1535I27.3Very low29.7Very low141 Ų141130.8 Ų130.872%0.72375%0.75SS**  cis-144.5142.45.2-117.3152.8000112.3
1536R29.7Very low29.6Very low233 Ų233132.8 Ų132.888%0.87975%0.752SS**  trans33.9129.9159.1-69.2-175.7167.4179.8-4123.4
1537Q33.5Very low29.6Very low160 Ų160134.7 Ų134.775%0.74876%0.756SS**  trans-71.9169146.5-63.8179.1-31.800112.1
1538P33.2Very low29.8Very low130 Ų130133.2 Ų133.284%0.84475%0.754SS**  -136173.610339.5-30.6000115.1
1539N27.8Very low30.2Very low137 Ų137132.4 Ų132.473%0.73375%0.754SS**  trans-92.1150.3-177.7-74.9-46.9000114.2
1540A31.2Very low31.1Very low96 Ų96132.5 Ų132.579%0.79375%0.752SS**  trans65.4171.9147.300000118.1
1541P34.5Very low31.6Very low116 Ų116135.3 Ų135.375%0.75376%0.759SS**  cis-127.4171.4-11.340.5-25.6000115.1
1542S27.5Very low31.9Very low108 Ų108133.2 Ų133.276%0.75575%0.753SS**  trans26.4134.3138.9-153.40000122.7
1543S27.5Very low32.3Very low98 Ų98136.1 Ų136.169%0.68576%0.761SS**  111.7132.9129.584.40000120.8
1544R29.3Very low32.4Very low203 Ų203134.3 Ų134.377%0.76675%0.753SS**  trans84.1131.1141.7-74.8179.978.8126.518122.7
1545D30.6Very low32.6Very low104 Ų104134.9 Ų134.956%0.55675%0.753SS**  trans63.7141.3136-50.4-3.5000119.3
1546E29.9Very low32.8Very low158 Ų158133.9 Ų133.974%0.73875%0.754SS**  cis-158.2163.1-10.6-121.4-159.979.300112.8
1547T30.7Very low32.9Very low104 Ų104128.9 Ų128.964%0.63875%0.745SS**  trans13.7128.9143.9-40.10000120.7
1548T33.8Very low32.9Very low134 Ų134127.3 Ų127.382%0.82274%0.737SS**  165.4140.6119.7-69.70000113.2
1549A35.9Very low32.8Very low85 Ų85130.2 Ų130.270%0.70273%0.731SS**  trans-121.7-151.3171.300000108.3
1550P45Very low32.9Very low118 Ų118131 Ų13177%0.76673%0.734SS**  cis-127.7-168.2-26.541.7-25.8000111.6
1551M37.6Very low32.9Very low184 Ų184130 Ų13091%0.90673%0.733SS**  -176152.5124.9-103.9-177.7169.200113.7
1552T37.7Very low32.7Very low131 Ų131128.7 Ų128.780%0.80474%0.74SS**  trans-129.9179.2173.358.20000109
1553P36.6Very low32.8Very low126 Ų126127.6 Ų127.682%0.81875%0.747SS**  -148.8-173.189.937.5-17.4000115.6
1554S31.9Very low32.8Very low84 Ų84127 Ų12759%0.58776%0.756SS**  trans-101.8176.5-169.755.60000115.4
1555F33.2Very low32.8Very low182 Ų182121.3 Ų121.380%0.79876%0.761SS**  -178.3114.3116-92.1-63.5000113.4
1556T32.6Very low32.8Very low120 Ų120120.7 Ų120.774%0.73678%0.778SS**  34.4160.5125.360.50000123.9
1557N31.1Very low32.8Very low129 Ų129117.1 Ų117.169%0.6978%0.784SS**  cis179.8179.4-25-175.830.5000108.5
1558E32.6Very low32.8Very low126 Ų126117 Ų11759%0.58979%0.794SS**  trans75.1157163.6-60.1-64.693.100118.9
1559R30.9Very low32.6Very low191 Ų191117 Ų11772%0.72179%0.793SS**  cis-171.9154.6-49.6-123.8-169.2-176.5178.3-0.2111.1
1560I31.3Very low32.3Very low154 Ų154116.8 Ų116.879%0.7979%0.787SS**  trans62.3138.8159.4-57.8160.1000115.4
1561G30Very low31.5Very low75 Ų75119.6 Ų119.677%0.77379%0.788SS**  cis130.9139.88.500000110.1
1562G30.2Very low31.1Very low88 Ų88115.1 Ų115.191%0.90777%0.774SS**  trans143.6116.4176.500000114.6
1563G29.5Very low30.6Very low86 Ų86117 Ų11789%0.88778%0.778SS**  trans-96.3173-162.800000119.1
1564G29.1Very low30.3Very low85 Ų85114.7 Ų114.788%0.87678%0.776SS**  trans104.1141.9138.700000118.8
1565G29.2Very low30.2Very low84 Ų84117.5 Ų117.587%0.86679%0.79SS**  trans110.295.8152.600000116.8
1566G29.9Very low30.6Very low90 Ų90114.4 Ų114.493%0.92879%0.788SS**  trans-75.6-178.4-174.900000118.6
1567G29.7Very low30.7Very low83 Ų83114.9 Ų114.986%0.85679%0.793SS**  trans176.1150.5176.600000110.2
1568A30.3Very low30.6Very low102 Ų102113.5 Ų113.584%0.84379%0.794SS**  trans-142.3153.6-166.100000115.2
1569T30.7Very low30.6Very low133 Ų133115.4 Ų115.482%0.81680%0.803SS**  trans-166.4126158.817.90000107.5
1570S30.3Very low30.5Very low82 Ų82111.4 Ų111.457%0.57380%0.804SS**  60.7130.987.2-151.70000113.5
1571F27.4Very low30.6Very low177 Ų177109.6 Ų109.678%0.77680%0.802SS**  cis-148.7142.140.9-81-90.3000112.3
1572S29.1Very low30.5Very low89 Ų89115.6 Ų115.662%0.62281%0.807SS**  64.2106.688.8-54.60000116.5
1573I28.2Very low30.6Very low172 Ų172117 Ų11788%0.88280%0.8SS**  101.513285.3-79.8162.4000113.4
1574G29.4Very low30.5Very low76 Ų76120 Ų12078%0.78480%0.801SS**  trans179.1131.9169.700000113.4
1575T28.7Very low30.6Very low143 Ų143120.7 Ų120.788%0.87779%0.793SS**PPolyproline II helixtrans-100.6163.6-169.821.70000114.8
1576P42.3Very low30.5Very low117 Ų117125 Ų12576%0.7679%0.79SS**PPolyproline II helixtrans-94.3161.1-170.137.6-36.8000115
1577P35.5Very low30.3Very low130 Ų130126.1 Ų126.184%0.84478%0.783SS**PPolyproline II helixtrans-96.6160.6164.737.6-32000113
1578S29.5Very low30.4Very low101 Ų101129.1 Ų129.171%0.70678%0.779SS**  trans-119.4166.4-172.452.90000114.1
1579H30.7Very low30.6Very low166 Ų166134.4 Ų134.477%0.76978%0.779SS**  trans83.296.2163-70.6-77.8000121
1580S30.6Very low31Very low107 Ų107134.7 Ų134.775%0.74878%0.775SS**  69.5167.3123.573.70000120.2
1581P31.8Very low31.4Very low116 Ų116135 Ų13575%0.75377%0.77SS**  cis-119.8-172.8-541.9-28.5000113.9
1582F28.8Very low31.9Very low201 Ų201134.6 Ų134.688%0.88277%0.768SS**  trans-61.8142166.2-78.3-96.7000112.1
1583P32.6Very low32.6Very low117 Ų117131.5 Ų131.576%0.7675%0.75SS**  trans-108.2130.5141.333.7-26000110.7
1584V26.5Very low33.1Very low148 Ų148129.1 Ų129.190%0.89774%0.735SS**  trans-92.1117.1157.7-90.70000108.2
1585S31.2Very low33.7Very low101 Ų101128.2 Ų128.271%0.70671%0.711SS**  trans-158.4121.3167-159.20000104
1586E26.5Very low34.3Very low174 Ų174127 Ų12781%0.81370%0.7SS**  55.6121.259.1-63.7-161132.600112.8
1587C27.4Very low34.7Very low114 Ų114124.2 Ų124.277%0.7768%0.678SS**  trans67.7139.9168.9-70.90000117
1588D30.7Very low34.9Very low146 Ų146127.5 Ų127.578%0.78168%0.682SS**  cis-141.7147.2-5.5-81.8-49.3000110.4
1589Y34.6Very low35.5Very low213 Ų213128.1 Ų128.184%0.83569%0.686SS**  trans-97.8105.4166.7-97.2-80.3000109.6L1591Y1589-L1591 PolarHBondContact O-N 3.27Å; Y1589-L1591 VanDerWaalsContact O-N 3.13Å
1590D38.5Very low36.5Very low138 Ų138124.5 Ų124.574%0.73867%0.67SS**  trans-65.4111.2171.7-174.7-8.5000109.8K1592D1590-K1592 PolarHBondContact O-N 2.87Å; D1590-K1592 WeakPolarHBondContact OD1-CB 3.43Å; D1590-K1592 PolarHBondContact OD1-N 3.46Å; D1590-K1592 VanDerWaalsContact OD1-N 3.16Å
1591L39Very low38.5Very low88 Ų88123.7 Ų123.746%0.46166%0.657SS.*  trans-77.3-1.9-171.4-98.5133000114.1Y1589 G1593 V1609Y1589-L1591 PolarHBondContact O-N 3.27Å; Y1589-L1591 VanDerWaalsContact O-N 3.13Å; L1591-G1593 PolarHBondContact O-N 3Å; L1591-V1609 HydrophobicContact CD1-CG1 4.39Å; L1591-V1609 HydrophobicContact CD2-CG1 4.34Å; L1591-V1609 HydrophobicContact CD2-CG2 4.38Å
1592K38.5Very low40.2Very low170 Ų170122.3 Ų122.374%0.73965%0.648SS**THydrogen-bonded Turntrans-8224.5-170.8-153.3155.5-176.11780114.9K254 D1590K254-K1592 PolarHBondContact NZ-O 3.4Å; D1590-K1592 PolarHBondContact O-N 2.87Å; D1590-K1592 WeakPolarHBondContact OD1-CB 3.43Å; D1590-K1592 PolarHBondContact OD1-N 3.46Å; D1590-K1592 VanDerWaalsContact OD1-N 3.16Å
1593G42.8Very low42.1Very low24 Ų24120 Ų12025%0.24764%0.64CS.*THydrogen-bonded Turntrans-115.7-13-163.600000117.8R258 L1591R258-G1593 VanDerWaalsContact CZ-O 3.31Å; R258-G1593 PolarHBondContact NE-O 2.79Å; R258-G1593 PolarHBondContact NH2-O 3.21Å; L1591-G1593 PolarHBondContact O-N 3Å
1594Q39.8Very low43.4Very low122 Ų122116.8 Ų116.857%0.5762%0.618SS**SBendtrans-150.239.4-160-148.8-177.451.900115.8
1595M41.6Very low45.2Very low56 Ų56112.4 Ų112.428%0.27659%0.589SS.*  trans-14292.7172.5-79.1173.669.400109.1L1597 I1605 I1608M1595-L1597 VanDerWaalsContact C-N 3.25Å; M1595-L1597 HydrophobicContact CB-CD1 4.19Å; M1595-L1597 HydrophobicContact CE-CD1 3.51Å; M1595-L1597 HydrophobicContact CG-CD1 4.26Å; M1595-L1597 PolarHBondContact O-N 2.67Å; M1595-I1605 HydrophobicContact CE-CB 4.31Å; M1595-I1605 HydrophobicContact CE-CG1 4.09Å; M1595-I1605 HydrophobicContact CE-CG2 4.02Å; M1595-I1608 HydrophobicContact CE-CB 4.09Å; M1595-I1608 HydrophobicContact CE-CD1 3.85Å; M1595-I1608 HydrophobicContact CE-CG2 3.84Å; M1595-I1608 HydrophobicContact SD-CG2 3.87Å
1596D42.3Very low47.1Very low119 Ų119114 Ų11464%0.63659%0.585SS**  trans-83.179.6171.3-63-7.2000107.4R258R258-D1596 IonicContact CZ-OD1 2.85Å; R258-D1596 VanDerWaalsContact CZ-OD1 3.24Å; R258-D1596 IonicContact CZ-OD2 2.66Å; R258-D1596 VanDerWaalsContact NH1-CG 3.26Å; R258-D1596 IonicContact NH1-OD1 2.82Å; R258-D1596 PolarHBondContact NH1-OD1 3.36Å; R258-D1596 IonicContact NH1-OD2 2.88Å; R258-D1596 PolarHBondContact NH1-OD2 2.8Å; R258-D1596 IonicContact NH2-OD1 2.83Å; R258-D1596 PolarHBondContact NH2-OD1 3.37Å; R258-D1596 IonicContact NH2-OD2 3.18Å
1597L49.9Very low49.4Very low58 Ų58110.3 Ų110.330%0.30457%0.569SS.*  trans-131.659.8-173.2-79.2167000109.9M1595 S1599 E1600M1595-L1597 VanDerWaalsContact C-N 3.25Å; M1595-L1597 HydrophobicContact CB-CD1 4.19Å; M1595-L1597 HydrophobicContact CE-CD1 3.51Å; M1595-L1597 HydrophobicContact CG-CD1 4.26Å; M1595-L1597 PolarHBondContact O-N 2.67Å; L1597-S1599 PolarHBondContact O-N 2.92Å; L1597-E1600 HydrophobicContact CD2-CG 4.09Å; L1597-E1600 PolarHBondContact O-N 2.91Å
1598E40.1Very low51.3Low199 Ų199107 Ų10793%0.9354%0.544SS*.THydrogen-bonded Turntrans-69.621.1177.7-57.2-168.5105.400114.1
1599S42.7Very low53.4Low114 Ų114102.2 Ų102.280%0.79752%0.519SS*.THydrogen-bonded Turntrans-148.65.3-174.258.70000115L1597L1597-S1599 PolarHBondContact O-N 2.92Å
1600E49.7Very low55.5Low90 Ų9099.7 Ų99.742%0.42151%0.508SS..SBendtrans-107.1155.1175-75.2-165.8159.300113.2L1597L1597-E1600 HydrophobicContact CD2-CG 4.09Å; L1597-E1600 PolarHBondContact O-N 2.91Å
1601D72.8Confident57.5Low89 Ų8996.7 Ų96.748%0.47649%0.49SS..  trans-66.1137.1-175.7-169.3-57.6000112.2E1603 V1604 I1605D1601-E1603 PolarHBondContact O-N 3.04Å; D1601-E1603 WeakPolarHBondContact OD1-CB 3.48Å; D1601-E1603 PolarHBondContact OD1-N 3.34Å; D1601-V1604 HydrophobicContact CB-CB 4.29Å; D1601-V1604 HydrophobicContact CB-CG2 4.02Å; D1601-V1604 WeakPolarHBondContact O-CA 3.46Å; D1601-V1604 WeakPolarHBondContact O-CB 3.37Å; D1601-V1604 PolarHBondContact O-N 2.98Å; D1601-I1605 PolarHBondContact O-N 3.18Å
1602P68.4Low59Low88 Ų8898.4 Ų98.457%0.57149%0.49SS*.Hα-helixtrans-57.6-26.2176.323.5-34.9000114.9Q1606P1602-Q1606 WeakPolarHBondContact O-CG 3.4Å; P1602-Q1606 PolarHBondContact O-N 2.85Å
1603E67.9Low60.9Low153 Ų15395.6 Ų95.672%0.71548%0.481SS*.Hα-helixtrans-70.2-39170.6-67.9-154.9136.400111.9D1601 Q1606 M1607D1601-E1603 PolarHBondContact O-N 3.04Å; D1601-E1603 WeakPolarHBondContact OD1-CB 3.48Å; D1601-E1603 PolarHBondContact OD1-N 3.34Å; E1603-Q1606 PolarHBondContact O-N 2.89Å; E1603-M1607 WeakPolarHBondContact O-CB 3.46Å; E1603-M1607 PolarHBondContact O-N 3.5Å
1604V60.3Low62.9Low48 Ų4899.9 Ų99.929%0.29149%0.494SS..Hα-helixtrans-64.8-42.7175.1173.80000110.4D1601 Q1606 M1607 I1608D1601-V1604 HydrophobicContact CB-CB 4.29Å; D1601-V1604 HydrophobicContact CB-CG2 4.02Å; D1601-V1604 WeakPolarHBondContact O-CA 3.46Å; D1601-V1604 WeakPolarHBondContact O-CB 3.37Å; D1601-V1604 PolarHBondContact O-N 2.98Å; V1604-Q1606 PolarHBondContact O-N 2.94Å; V1604-M1607 HydrophobicContact CG2-CE 4.41Å; V1604-M1607 PolarHBondContact O-N 3.07Å; V1604-I1608 HydrophobicContact CG1-CD1 3.82Å; V1604-I1608 HydrophobicContact CG1-CG1 4.46Å; V1604-I1608 VanDerWaalsContact O-CG1 3.31Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.41Å; V1604-I1608 PolarHBondContact O-N 3.17Å
1605I64.2Low64.6Low56 Ų5697.9 Ų97.929%0.28749%0.485SS..Hα-helixtrans-61.3-45.7175-63.1172.6000110.7M1595 D1601 M1607 I1608 V1609M1595-I1605 HydrophobicContact CE-CB 4.31Å; M1595-I1605 HydrophobicContact CE-CG1 4.09Å; M1595-I1605 HydrophobicContact CE-CG2 4.02Å; D1601-I1605 PolarHBondContact O-N 3.18Å; I1605-M1607 VanDerWaalsContact C-N 3.34Å; I1605-M1607 PolarHBondContact O-N 3.42Å; I1605-I1608 PolarHBondContact O-N 2.65Å; I1605-V1609 WeakPolarHBondContact O-CB 3.41Å; I1605-V1609 WeakPolarHBondContact O-CG2 3.13Å; I1605-V1609 PolarHBondContact O-N 2.84Å
1606Q72.8Confident66.2Low134 Ų134101 Ų10163%0.62650%0.499SS*.Hα-helixtrans-62-38.8174.9-77.7-175.859.900112.8P1602 E1603 V1604 V1609 R1610P1602-Q1606 WeakPolarHBondContact O-CG 3.4Å; P1602-Q1606 PolarHBondContact O-N 2.85Å; E1603-Q1606 PolarHBondContact O-N 2.89Å; V1604-Q1606 PolarHBondContact O-N 2.94Å; Q1606-V1609 PolarHBondContact O-N 3.23Å; Q1606-R1610 VanDerWaalsContact O-CB 3.29Å; Q1606-R1610 WeakPolarHBondContact O-CB 3.31Å; Q1606-R1610 PolarHBondContact O-N 3.5Å
1607M72.8Confident68.1Low97 Ų97103.1 Ų103.148%0.47850%0.502SS..Hα-helixtrans-64.9-42.9176.7179.6167.854.800112E1603 V1604 I1605 R1610 H1611E1603-M1607 WeakPolarHBondContact O-CB 3.46Å; E1603-M1607 PolarHBondContact O-N 3.5Å; V1604-M1607 HydrophobicContact CG2-CE 4.41Å; V1604-M1607 PolarHBondContact O-N 3.07Å; I1605-M1607 VanDerWaalsContact C-N 3.34Å; I1605-M1607 PolarHBondContact O-N 3.42Å; M1607-R1610 PolarHBondContact O-N 2.75Å; M1607-H1611 WeakPolarHBondContact O-CB 3.44Å; M1607-H1611 PolarHBondContact O-N 3.45Å
1608I69Low69.7Low46 Ų46104.7 Ų104.724%0.23651%0.51CS..Hα-helixtrans-63.8-45.2175.8-69165.4000111.1M1595 V1604 I1605 H1611 R1612M1595-I1608 HydrophobicContact CE-CB 4.09Å; M1595-I1608 HydrophobicContact CE-CD1 3.85Å; M1595-I1608 HydrophobicContact CE-CG2 3.84Å; M1595-I1608 HydrophobicContact SD-CG2 3.87Å; V1604-I1608 HydrophobicContact CG1-CD1 3.82Å; V1604-I1608 HydrophobicContact CG1-CG1 4.46Å; V1604-I1608 VanDerWaalsContact O-CG1 3.31Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.41Å; V1604-I1608 PolarHBondContact O-N 3.17Å; I1605-I1608 PolarHBondContact O-N 2.65Å; I1608-H1611 PolarHBondContact O-N 2.9Å; I1608-R1612 PolarHBondContact O-N 3.5Å
1609V73Confident71.5Confident45 Ų45100.3 Ų100.327%0.27349%0.493SS..Hα-helixtrans-59.3-47.4175.8165.40000111L1591 I1605 Q1606 H1611 R1612 M1613L1591-V1609 HydrophobicContact CD1-CG1 4.39Å; L1591-V1609 HydrophobicContact CD2-CG1 4.34Å; L1591-V1609 HydrophobicContact CD2-CG2 4.38Å; I1605-V1609 WeakPolarHBondContact O-CB 3.41Å; I1605-V1609 WeakPolarHBondContact O-CG2 3.13Å; I1605-V1609 PolarHBondContact O-N 2.84Å; Q1606-V1609 PolarHBondContact O-N 3.23Å; V1609-H1611 PolarHBondContact O-N 2.88Å; V1609-R1612 PolarHBondContact O-N 3.36Å; V1609-M1613 PolarHBondContact O-N 2.79Å
1610R79.6Confident73.4Confident159 Ų15998.5 Ų98.560%0.647%0.472SS*.Hα-helixtrans-58.3-48.4176.9-167.5-172.3-147.4111.6-0.6111.4Q1606 M1607 M1613 E1614Q1606-R1610 VanDerWaalsContact O-CB 3.29Å; Q1606-R1610 WeakPolarHBondContact O-CB 3.31Å; Q1606-R1610 PolarHBondContact O-N 3.5Å; M1607-R1610 PolarHBondContact O-N 2.75Å; R1610-M1613 PolarHBondContact O-N 3.41Å; R1610-E1614 IonicContact NE-OE1 2.59Å; R1610-E1614 WeakPolarHBondContact O-CG 3.49Å; R1610-E1614 PolarHBondContact O-N 3.09Å
1611H80.9Confident75Confident76 Ų76101.6 Ų101.635%0.35248%0.484SS..Hα-helixtrans-63.1-43.7-179.9-166.1106.3000112.1M1607 I1608 V1609 M1613 E1614 Q1615M1607-H1611 WeakPolarHBondContact O-CB 3.44Å; M1607-H1611 PolarHBondContact O-N 3.45Å; I1608-H1611 PolarHBondContact O-N 2.9Å; V1609-H1611 PolarHBondContact O-N 2.88Å; H1611-M1613 VanDerWaalsContact C-N 3.35Å; H1611-M1613 PolarHBondContact O-N 3.35Å; H1611-E1614 PolarHBondContact O-N 3.42Å; H1611-Q1615 PolarHBondContact NE2-NE2 3.31Å; H1611-Q1615 WeakPolarHBondContact O-CG 3.31Å; H1611-Q1615 PolarHBondContact O-N 2.78Å
1612R70.9Confident75.5Confident123 Ų123102.3 Ų102.346%0.46449%0.485SS..Hα-helixtrans-58.4-45.6174.4-83.4-168.3179.4-164.33.6111.7I1608 V1609 E1614 Q1615 H1616I1608-R1612 PolarHBondContact O-N 3.5Å; V1609-R1612 PolarHBondContact O-N 3.36Å; R1612-E1614 PolarHBondContact O-N 3.39Å; R1612-Q1615 PolarHBondContact O-N 2.8Å; R1612-H1616 PolarHBondContact O-N 2.83Å
1613M78.4Confident76.3Confident112 Ų112105.7 Ų105.755%0.55249%0.486SS*.Hα-helixtrans-64.2-39180-173.8174.258.400112.2V1609 R1610 H1611 H1616 K1617V1609-M1613 PolarHBondContact O-N 2.79Å; R1610-M1613 PolarHBondContact O-N 3.41Å; H1611-M1613 VanDerWaalsContact C-N 3.35Å; H1611-M1613 PolarHBondContact O-N 3.35Å; M1613-H1616 PolarHBondContact O-N 3.44Å; M1613-K1617 WeakPolarHBondContact O-CB 3.37Å; M1613-K1617 PolarHBondContact O-N 3.2Å
1614E83.4Confident76.9Confident113 Ų113102.3 Ų102.353%0.52848%0.476SS..Hα-helixtrans-67.8-39.9175.9-73176.1-168.900112.7R1610 H1611 R1612 K1617 L1618R1610-E1614 IonicContact NE-OE1 2.59Å; R1610-E1614 WeakPolarHBondContact O-CG 3.49Å; R1610-E1614 PolarHBondContact O-N 3.09Å; H1611-E1614 PolarHBondContact O-N 3.42Å; R1612-E1614 PolarHBondContact O-N 3.39Å; E1614-K1617 PolarHBondContact O-N 2.59Å; E1614-L1618 WeakPolarHBondContact O-CB 3.38Å; E1614-L1618 PolarHBondContact O-N 3.47Å
1615Q76.5Confident77.9Confident80 Ų80104 Ų10437%0.37448%0.48SS..Hα-helixtrans-61.5-45.5173.2-67.4-67.6-15.800111.8H1611 R1612 K1617 L1618 L1619H1611-Q1615 PolarHBondContact NE2-NE2 3.31Å; H1611-Q1615 WeakPolarHBondContact O-CG 3.31Å; H1611-Q1615 PolarHBondContact O-N 2.78Å; R1612-Q1615 PolarHBondContact O-N 2.8Å; Q1615-K1617 VanDerWaalsContact C-N 3.34Å; Q1615-K1617 PolarHBondContact O-N 3.25Å; Q1615-L1618 PolarHBondContact O-N 3.22Å; Q1615-L1619 WeakPolarHBondContact O-CG 3.49Å; Q1615-L1619 PolarHBondContact O-N 3.44Å
1616H75Confident78.5Confident123 Ų123105.6 Ų105.657%0.56949%0.488SS*.Hα-helixtrans-61.5-42.7177.6-167.6-86.7000111.7R1612 M1613 L1618 L1619 E1620R1612-H1616 PolarHBondContact O-N 2.83Å; M1613-H1616 PolarHBondContact O-N 3.44Å; H1616-L1618 VanDerWaalsContact C-N 3.28Å; H1616-L1618 PolarHBondContact O-N 3.26Å; H1616-L1619 PolarHBondContact O-N 2.78Å; H1616-E1620 PolarHBondContact O-N 3.01Å
1617K83Confident78.7Confident163 Ų163104.1 Ų104.171%0.70948%0.481SS*.Hα-helixtrans-66-28.3177.3-160.6167.3-169.3166.70113M1613 E1614 Q1615 K1621M1613-K1617 WeakPolarHBondContact O-CB 3.37Å; M1613-K1617 PolarHBondContact O-N 3.2Å; E1614-K1617 PolarHBondContact O-N 2.59Å; Q1615-K1617 VanDerWaalsContact C-N 3.34Å; Q1615-K1617 PolarHBondContact O-N 3.25Å; K1617-K1621 WeakPolarHBondContact O-CB 3.3Å; K1617-K1621 PolarHBondContact O-N 2.99Å
1618L81.9Confident79Confident90 Ų90106.3 Ų106.347%0.47149%0.485SS..Hα-helixtrans-75.9-40.5173-175.761.6000112.3E1614 Q1615 H1616 K1621 Q1622E1614-L1618 WeakPolarHBondContact O-CB 3.38Å; E1614-L1618 PolarHBondContact O-N 3.47Å; Q1615-L1618 PolarHBondContact O-N 3.22Å; H1616-L1618 VanDerWaalsContact C-N 3.28Å; H1616-L1618 PolarHBondContact O-N 3.26Å; L1618-K1621 PolarHBondContact O-N 3.45Å; L1618-Q1622 WeakPolarHBondContact O-CG 3.3Å; L1618-Q1622 PolarHBondContact O-N 2.66Å
1619L77.7Confident79.4Confident107 Ų107108.1 Ų108.156%0.5649%0.494SS*.Hα-helixtrans-63.5-49.1177.7-75.4168.1000112.1Q1615 H1616 K1621 Q1622 R1623Q1615-L1619 WeakPolarHBondContact O-CG 3.49Å; Q1615-L1619 PolarHBondContact O-N 3.44Å; H1616-L1619 PolarHBondContact O-N 2.78Å; L1619-K1621 VanDerWaalsContact C-N 3.25Å; L1619-K1621 PolarHBondContact O-N 2.85Å; L1619-Q1622 WeakPolarHBondContact O-CB 3.19Å; L1619-Q1622 PolarHBondContact O-N 2.88Å; L1619-R1623 PolarHBondContact O-N 3.42Å
1620E82.9Confident79.3Confident76 Ų76113.7 Ų113.736%0.35551%0.51SS..Hα-helixtrans-63.9-33.8178.3-170.957.1-148.300111.2H1616 Q1622 R1623 V1624H1616-E1620 PolarHBondContact O-N 3.01Å; E1620-Q1622 PolarHBondContact O-N 2.78Å; E1620-R1623 WeakPolarHBondContact O-CB 3.22Å; E1620-R1623 PolarHBondContact O-N 3.47Å; E1620-R1623 WeakPolarHBondContact OE1-CD 3.42Å; E1620-R1623 IonicContact OE1-NH1 3.97Å; E1620-R1623 PolarHBondContact OE1-NH1 2.85Å; E1620-R1623 WeakPolarHBondContact OE2-CD 3.45Å; E1620-R1623 IonicContact OE2-CZ 3Å; E1620-R1623 IonicContact OE2-NE 3.8Å; E1620-R1623 IonicContact OE2-NH1 3.22Å; E1620-R1623 PolarHBondContact OE2-NH1 3.32Å; E1620-V1624 WeakPolarHBondContact O-CG2 3.34Å; E1620-V1624 PolarHBondContact O-N 3.29Å
1621K84.9Confident78.8Confident156 Ų156110 Ų11068%0.67851%0.509SS*.Hα-helixtrans-65.2-34.6172.8-172.1169-175.7169.70113.2K1617 L1618 L1619 E1625K1617-K1621 WeakPolarHBondContact O-CB 3.3Å; K1617-K1621 PolarHBondContact O-N 2.99Å; L1618-K1621 PolarHBondContact O-N 3.45Å; L1619-K1621 VanDerWaalsContact C-N 3.25Å; L1619-K1621 PolarHBondContact O-N 2.85Å; K1621-E1625 PolarHBondContact O-N 2.99Å
1622Q82.4Confident78.4Confident104 Ų104112.1 Ų112.149%0.48652%0.517SS..Hα-helixtrans-69.7-43.5172.4-70.6-178.917.400111.4L1618 L1619 E1620 V1624 E1625 I1626L1618-Q1622 WeakPolarHBondContact O-CG 3.3Å; L1618-Q1622 PolarHBondContact O-N 2.66Å; L1619-Q1622 WeakPolarHBondContact O-CB 3.19Å; L1619-Q1622 PolarHBondContact O-N 2.88Å; E1620-Q1622 PolarHBondContact O-N 2.78Å; Q1622-V1624 PolarHBondContact O-N 2.85Å; Q1622-E1625 PolarHBondContact O-N 3.22Å; Q1622-I1626 WeakPolarHBondContact O-CG1 3.44Å; Q1622-I1626 PolarHBondContact O-N 2.76Å
1623R84.4Confident77.7Confident158 Ų158112.7 Ų112.760%0.59653%0.528SS*.Hα-helixtrans-55.5-48.9175.7-173.1-167.5-176.1-174.51.9111.7L1619 E1620 E1625 I1626 E1627L1619-R1623 PolarHBondContact O-N 3.42Å; E1620-R1623 WeakPolarHBondContact O-CB 3.22Å; E1620-R1623 PolarHBondContact O-N 3.47Å; E1620-R1623 WeakPolarHBondContact OE1-CD 3.42Å; E1620-R1623 IonicContact OE1-NH1 3.97Å; E1620-R1623 PolarHBondContact OE1-NH1 2.85Å; E1620-R1623 WeakPolarHBondContact OE2-CD 3.45Å; E1620-R1623 IonicContact OE2-CZ 3Å; E1620-R1623 IonicContact OE2-NE 3.8Å; E1620-R1623 IonicContact OE2-NH1 3.22Å; E1620-R1623 PolarHBondContact OE2-NH1 3.32Å; R1623-E1625 PolarHBondContact O-N 2.64Å; R1623-I1626 PolarHBondContact O-N 3.28Å; R1623-E1627 PolarHBondContact O-N 3.47Å
1624V81.7Confident76Confident83 Ų83117.6 Ų117.650%0.50354%0.54SS..Hα-helixtrans-63.6-40179.4171.50000112.4E1620 Q1622 E1627 R1628E1620-V1624 WeakPolarHBondContact O-CG2 3.34Å; E1620-V1624 PolarHBondContact O-N 3.29Å; Q1622-V1624 PolarHBondContact O-N 2.85Å; V1624-E1627 PolarHBondContact O-N 3.49Å; V1624-R1628 VanDerWaalsContact O-CB 3.24Å; V1624-R1628 WeakPolarHBondContact O-CB 3.44Å; V1624-R1628 PolarHBondContact O-N 2.84Å
1625E80.8Confident73.9Confident84 Ų84118 Ų11839%0.39355%0.55SS.*Hα-helixtrans-71.9-34.3176.4-165.862.6-13500112.1K1621 Q1622 R1623 R1628 L1629 K1632K1621-E1625 PolarHBondContact O-N 2.99Å; Q1622-E1625 PolarHBondContact O-N 3.22Å; R1623-E1625 PolarHBondContact O-N 2.64Å; E1625-R1628 PolarHBondContact O-N 2.89Å; E1625-R1628 WeakPolarHBondContact OE1-CD 3.4Å; E1625-R1628 IonicContact OE1-NE 2.76Å; E1625-R1628 IonicContact OE2-NE 3.5Å; E1625-L1629 HydrophobicContact CG-CD1 4.27Å; E1625-L1629 HydrophobicContact CG-CG 4.48Å; E1625-L1629 WeakPolarHBondContact O-CB 3.44Å; E1625-L1629 VanDerWaalsContact O-CG 3.27Å; E1625-L1629 WeakPolarHBondContact O-CG 3.14Å; E1625-L1629 PolarHBondContact O-N 2.82Å; E1625-K1632 IonicContact OE1-NZ 3.8Å
1626I75.8Confident72.1Confident88 Ų88119.8 Ų119.845%0.45157%0.569SS.*Hα-helixtrans-62.2-43.9172-69.7166.3000110.7Q1622 R1623 R1628 L1629 R1630Q1622-I1626 WeakPolarHBondContact O-CG1 3.44Å; Q1622-I1626 PolarHBondContact O-N 2.76Å; R1623-I1626 PolarHBondContact O-N 3.28Å; I1626-R1628 VanDerWaalsContact C-N 3.34Å; I1626-R1628 PolarHBondContact O-N 3.39Å; I1626-L1629 PolarHBondContact O-N 3.36Å; I1626-R1630 WeakPolarHBondContact O-CB 3.48Å; I1626-R1630 WeakPolarHBondContact O-CG 3.26Å; I1626-R1630 PolarHBondContact O-N 3.23Å
1627E77.9Confident70.1Confident103 Ų103125.7 Ų125.748%0.48159%0.586SS.*Hα-helixtrans-66.8-36.5177.5-152.459-124.300111.7R1623 V1624 R1630 S1631R1623-E1627 PolarHBondContact O-N 3.47Å; V1624-E1627 PolarHBondContact O-N 3.49Å; E1627-R1630 PolarHBondContact O-N 3.41Å; E1627-S1631 VanDerWaalsContact O-CB 3.3Å; E1627-S1631 WeakPolarHBondContact O-CB 3.42Å; E1627-S1631 PolarHBondContact O-N 2.81Å; E1627-S1631 PolarHBondContact O-OG 3.08Å
1628R78.6Confident67.9Low144 Ų144121.7 Ų121.754%0.54358%0.584SS.*Hα-helixtrans-65.8-38.5172.9-177.9172.4174.778.2-5.4112.5V1624 E1625 I1626 K1632V1624-R1628 VanDerWaalsContact O-CB 3.24Å; V1624-R1628 WeakPolarHBondContact O-CB 3.44Å; V1624-R1628 PolarHBondContact O-N 2.84Å; E1625-R1628 PolarHBondContact O-N 2.89Å; E1625-R1628 WeakPolarHBondContact OE1-CD 3.4Å; E1625-R1628 IonicContact OE1-NE 2.76Å; E1625-R1628 IonicContact OE2-NE 3.5Å; I1626-R1628 VanDerWaalsContact C-N 3.34Å; I1626-R1628 PolarHBondContact O-N 3.39Å; R1628-K1632 VanDerWaalsContact O-CG 3.27Å; R1628-K1632 WeakPolarHBondContact O-CG 3.35Å; R1628-K1632 PolarHBondContact O-N 2.94Å
1629L77.6Confident65.7Low84 Ų84123.6 Ų123.644%0.4460%0.599SS.*Hα-helixtrans-70.1-44.4174.4-73166.8000111.6E1625 I1626 S1631 K1632 I1633E1625-L1629 HydrophobicContact CG-CD1 4.27Å; E1625-L1629 HydrophobicContact CG-CG 4.48Å; E1625-L1629 WeakPolarHBondContact O-CB 3.44Å; E1625-L1629 VanDerWaalsContact O-CG 3.27Å; E1625-L1629 WeakPolarHBondContact O-CG 3.14Å; E1625-L1629 PolarHBondContact O-N 2.82Å; I1626-L1629 PolarHBondContact O-N 3.36Å; L1629-S1631 VanDerWaalsContact C-N 3.27Å; L1629-S1631 PolarHBondContact O-N 2.87Å; L1629-K1632 HydrophobicContact CD2-CD 4.38Å; L1629-K1632 PolarHBondContact O-N 3.01Å; L1629-I1633 WeakPolarHBondContact O-CG1 3.3Å; L1629-I1633 PolarHBondContact O-N 3.07Å; L1629-I1633 VanDerWaalsContact O-N 3.14Å
1630R71.1Confident63.6Low162 Ų162123.9 Ų123.961%0.61161%0.61SS**Hα-helixtrans-57.4-41.1172.3-74.9174.1170.4-164.2-3.7111.9I1626 E1627 I1633 R1634I1626-R1630 WeakPolarHBondContact O-CB 3.48Å; I1626-R1630 WeakPolarHBondContact O-CG 3.26Å; I1626-R1630 PolarHBondContact O-N 3.23Å; E1627-R1630 PolarHBondContact O-N 3.41Å; R1630-I1633 PolarHBondContact O-N 3.09Å; R1630-R1634 PolarHBondContact O-N 3.23Å
1631S70.1Confident61.5Low81 Ų81126.7 Ų126.757%0.56663%0.632SS**Hα-helixtrans-66.5-37.3176.5-61.10000113E1627 L1629 I1633E1627-S1631 VanDerWaalsContact O-CB 3.3Å; E1627-S1631 WeakPolarHBondContact O-CB 3.42Å; E1627-S1631 PolarHBondContact O-N 2.81Å; E1627-S1631 PolarHBondContact O-OG 3.08Å; L1629-S1631 VanDerWaalsContact C-N 3.27Å; L1629-S1631 PolarHBondContact O-N 2.87Å; S1631-I1633 VanDerWaalsContact C-N 3.35Å
1632K71.5Confident59Low120 Ų120125.7 Ų125.752%0.52263%0.634SS.*Hα-helixtrans-68.3-29.4175.4-73.5162.7179.6168.60113.5E1625 R1628 L1629E1625-K1632 IonicContact OE1-NZ 3.8Å; R1628-K1632 VanDerWaalsContact O-CG 3.27Å; R1628-K1632 WeakPolarHBondContact O-CG 3.35Å; R1628-K1632 PolarHBondContact O-N 2.94Å; L1629-K1632 HydrophobicContact CD2-CD 4.38Å; L1629-K1632 PolarHBondContact O-N 3.01Å
1633I56.8Low57Low136 Ų136125.1 Ų125.170%0.69764%0.639SS**Hα-helixtrans-86.4-20.7-176.1-67167.7000112.1L1629 R1630 S1631 V1635L1629-I1633 WeakPolarHBondContact O-CG1 3.3Å; L1629-I1633 PolarHBondContact O-N 3.07Å; L1629-I1633 VanDerWaalsContact O-N 3.14Å; R1630-I1633 PolarHBondContact O-N 3.09Å; S1631-I1633 VanDerWaalsContact C-N 3.35Å; I1633-V1635 PolarHBondContact O-N 3.34Å
1634R42.6Very low54.5Low214 Ų214125.5 Ų125.581%0.80865%0.648SS**  trans-80.480.2178.7-175.8173.7-84.1160.1-5.4112.2R1630 P1636R1630-R1634 PolarHBondContact O-N 3.23Å; R1634-P1636 WeakPolarHBondContact O-CD 3.45Å
1635V38.9Very low52.1Low122 Ų122128.1 Ų128.174%0.73966%0.656SS**  trans-72.6121.3165.1-179.20000109.8I1633 R1637I1633-V1635 PolarHBondContact O-N 3.34Å; V1635-R1637 PolarHBondContact O-N 3.47Å
1636P39Very low49.9Very low118 Ų118130.7 Ų130.777%0.76667%0.671SS**  trans-84.791-179.633.1-33.3000111.5R1634 A1638R1634-P1636 WeakPolarHBondContact O-CD 3.45Å; P1636-A1638 PolarHBondContact O-N 3.36Å
1637R33Very low47.8Very low246 Ų246129 Ų12993%0.92868%0.676SS**  trans-90.485.6170.8-169.8174-177.3132.7-0.2110.8V1635V1635-R1637 PolarHBondContact O-N 3.47Å
1638A35.4Very low45.9Very low80 Ų80131.3 Ų131.366%0.66169%0.692SS**  trans-104.6137.9173.500000111.5P1636P1636-A1638 PolarHBondContact O-N 3.36Å
1639T36.1Very low43.9Very low130 Ų130131.6 Ų131.680%0.79870%0.704SS**  trans42.192.8160.253.60000117.7
1640S34.4Very low42Very low113 Ų113135.8 Ų135.879%0.7972%0.721SS**  trans-90.5122143.4179.20000107.9
1641V37.6Very low40.4Very low134 Ų134131.6 Ų131.681%0.81272%0.721SS**  trans-132.1125.2159.2-166.60000104.7
1642N33.7Very low38.8Very low136 Ų136134.8 Ų134.873%0.72773%0.732SS**  trans-89.4175.1-167-131.524000111.1
1643P39.3Very low36.9Very low91 Ų91133.9 Ų133.959%0.59174%0.737SS**  -123.4-140.9-111.438.3-18.4000110.9
1644E31.7Very low36Very low166 Ų166133.5 Ų133.578%0.77674%0.741SS**  trans71144.5178.5-64.8-178.397.300114.5
1645M31.6Very low35.5Very low139 Ų139130.2 Ų130.269%0.68574%0.739SS**  cis-148.5154.66.6-127.9-107-73.700111.2
1646I35.7Very low35.1Very low137 Ų137131.3 Ų131.370%0.70375%0.746SS**  trans72.5132.8171.3-51.1150.7000113.2
1647G32.3Very low34.7Very low54 Ų54129.4 Ų129.456%0.55774%0.74SS**  cis108.9151.120.100000110.2
1648D36.2Very low34.7Very low151 Ų151126 Ų12681%0.80774%0.739SS**  cis-151.9-175.2-9.1-58.7-67.8000105.5
1649D38.2Very low34.4Very low150 Ų150130.5 Ų130.580%0.80275%0.747SS**  cis-158.7-1745.6-160.6-8.8000108.1
1650E37.1Very low34Very low172 Ų172130.1 Ų130.180%0.80475%0.749SS**  trans70.5143.4159.3-68.1-161.4136.400120
1651A37.2Very low33.8Very low74 Ų74129.3 Ų129.361%0.61275%0.749SS**  cis-164.4167.2-18.200000111.1
1652D36.2Very low33.6Very low148 Ų148131.4 Ų131.479%0.79176%0.755SS**  trans39.7144.4134.9-81-13.6000123.2
1653T33Very low33.6Very low101 Ų101128.2 Ų128.262%0.6275%0.754SS**  cis-163.6175.8-21.7-32.70000106.2
1654T36Very low33.1Very low127 Ų127131.4 Ų131.478%0.77977%0.766SS**  trans71156.6164.870.90000116.3
1655L33.8Very low33.2Very low146 Ų146128.3 Ų128.376%0.76477%0.769SS**  cis-141.9127.911.4-149.1162000111.9A1657L1655-A1657 HydrophobicContact CD2-CB 4.15Å
1656T28.7Very low33.3Very low144 Ų144126.4 Ų126.488%0.88377%0.769SS**  trans-86.6109.8175.7-520000111
1657A32.4Very low33.3Very low79 Ų79127.8 Ų127.865%0.65378%0.777SS**  trans-160.397.4169.300000113.9L1655L1655-A1657 HydrophobicContact CD2-CB 4.15Å
1658L33.1Very low33.4Very low173 Ų173129.5 Ų129.591%0.90678%0.781SS**  17099.7120.4-92.5166.4000111.2
1659Q28Very low33.4Very low176 Ų176130 Ų13082%0.82278%0.783SS**  trans-86170.9160.1-69169.9-76.400110.1
1660S27.4Very low33.4Very low121 Ų121127.9 Ų127.985%0.84678%0.777SS**  trans56.9102156.259.70000118.5
1661A31.4Very low33.2Very low96 Ų96123.8 Ų123.879%0.79377%0.773SS**  trans-145.1148.7146.200000111.1
1662L33.6Very low33.1Very low178 Ų178125.6 Ų125.693%0.93278%0.781SS**  trans-43161.1-178.9-62.859.8000115.5
1663G32.4Very low33.3Very low69 Ų69124.3 Ų124.371%0.71178%0.781SS**  cis144.3146.20.100000113.2
1664N29.8Very low33.7Very low158 Ų158124.9 Ų124.985%0.84579%0.786SS**  trans32.5110.4162-61.30.1000122.1
1665A34.2Very low33.9Very low101 Ų101124 Ų12484%0.83578%0.783SS**  trans-156.7118.4133.200000107.5
1666S31.9Very low33.6Very low99 Ų99123.3 Ų123.369%0.69278%0.78SS**  cis80.475.118.6-52.30000117.1
1667L35.6Very low33.6Very low166 Ų166121.8 Ų121.887%0.86977%0.77SS**  trans-133.997.8133.7-70.1176.4000106.3
1668S34.6Very low33.4Very low91 Ų91125.8 Ų125.864%0.63678%0.775SS**  72132.569.475.50000112.3
1669L36.5Very low33.1Very low161 Ų161122.5 Ų122.584%0.84376%0.763SS**  cis168.8-174.19.3-106.8177.3000104
1670P37.9Very low33.1Very low106 Ų106119 Ų11969%0.68875%0.754SS**  cis-132.7172.5-23.236-18.4000115.5
1671A34.4Very low33.2Very low86 Ų86122.1 Ų122.171%0.71175%0.752SS**  trans61.6136.9149.200000120.5
1672S33.9Very low33.1Very low112 Ų112123.3 Ų123.378%0.78375%0.749SS**  cis77.4143.333-49.30000113.9
1673P41.1Very low32.9Very low120 Ų120121 Ų12178%0.77974%0.738SS**  cis-136.7176.329.343.5-26.4000118
1674P40.9Very low32.9Very low113 Ų113123.5 Ų123.573%0.73474%0.739SS**  trans-92.7-162.8161.943.4-38.4000110.3
1675P40Very low33Very low110 Ų110119.8 Ų119.871%0.71472%0.723SS**  cis-131.4-126.1-2.439.2-16.1000112.3
1676N28.5Very low33.1Very low131 Ų131121.1 Ų121.170%0.70172%0.72SS**  trans82.7115.7169.9-74.210.2000117.1
1677T27.6Very low33.1Very low111 Ų111122.7 Ų122.768%0.68172%0.719SS**  62131.298.765.40000113.8
1678E28.1Very low33.2Very low163 Ų163119.5 Ų119.576%0.76271%0.709SS**  cis-154.2167.822-118.8151.9130.400112.2
1679T27.6Very low33Very low104 Ų104120.2 Ų120.264%0.63871%0.714SS**  trans10.4139.3133-29.40000116.4
1680T28.3Very low32.8Very low103 Ų103119.1 Ų119.163%0.63271%0.709SS**  177.8113.671.5-55.30000114.5
1681K28.3Very low32.5Very low186 Ų186119.3 Ų119.381%0.80971%0.707SS**  trans54-172.3145-48.5170.9-173.4168.80116.4
1682V30Very low32.5Very low121 Ų121122 Ų12273%0.73371%0.709SS**  cis-157149.4-6.6910000105.6
1683N30.3Very low32.2Very low130 Ų130120.9 Ų120.970%0.69571%0.707SS**  cis-140.7-147.8-11.2-133.224.4000106.4T1685N1683-T1685 PolarHBondContact ND2-OG1 2.59Å
1684T32.5Very low31.9Very low122 Ų122121.2 Ų121.275%0.74871%0.707SS**  cis-141.71125.4-59.40000106.4
1685T31.7Very low31.2Very low80 Ų80126 Ų12649%0.49171%0.71SS.*  59.9125.4104.7-26.70000113.3N1683 I1687N1683-T1685 PolarHBondContact ND2-OG1 2.59Å; T1685-I1687 HydrophobicContact CG2-CD1 3.85Å; T1685-I1687 HydrophobicContact CG2-CG1 4.48Å
1686V34.9Very low30.9Very low129 Ų129128 Ų12878%0.78271%0.712SS**  cis-143.1129.438.6-1520000107.5
1687I32.2Very low30.9Very low131 Ų131126.9 Ų126.967%0.67271%0.71SS**  67.214157.4-62.1175.8000112.5T1685T1685-I1687 HydrophobicContact CG2-CD1 3.85Å; T1685-I1687 HydrophobicContact CG2-CG1 4.48Å
1688P37.7Very low31.1Very low100 Ų100130 Ų13065%0.64972%0.719SS**  cis-102179-19.97.617.5000111.9
1689S31.8Very low31.2Very low106 Ų106125.6 Ų125.674%0.74171%0.706SS**  62.2154.262-300000113.1
1690D30.9Very low31.3Very low138 Ų138129 Ų12974%0.73872%0.715SS**  cis-171.1-17837.4-142.5-24.6000115.1
1691V32.8Very low31.4Very low109 Ų109128.1 Ų128.166%0.66171%0.713SS**  trans77.2107.7148.9156.10000118.2
1692L32.8Very low31.4Very low143 Ų143123.4 Ų123.475%0.74970%0.703SS**  66.611585.7-91.465.7000112.8
1693A29.1Very low31.4Very low89 Ų89122.6 Ų122.674%0.73670%0.699SS**  64.892.658.800000114.8
1694T33Very low31.4Very low127 Ų127124.9 Ų124.978%0.77970%0.703SS**  trans-161.9108.6154.9-830000105.4
1695R27.4Very low31.4Very low214 Ų214124 Ų12481%0.80870%0.702SS**  80.1143.866.5-178.1-168.4-172.7-171.35.3110.9
1696M32.8Very low31.3Very low150 Ų150124.5 Ų124.574%0.73971%0.708SS**  trans83.6136.2-177.7-53.2-157.5-176.200114.4
1697T29.9Very low31.1Very low109 Ų109125 Ų12567%0.66971%0.706SS**  cis-163.4151.4-15.413.30000109
1698M31Very low30.9Very low175 Ų175124.4 Ų124.486%0.86271%0.709SS**  trans64148.3154.8-64.8-65.4179.100116.1
1699S30.1Very low30.5Very low72 Ų72124.5 Ų124.550%0.50371%0.712SS.*  cis-164.5150.5-21.261.40000108.8
1700Q29.9Very low30.4Very low174 Ų174125.2 Ų125.281%0.81371%0.711SS**  trans67145.2147.4-69.7169.5117.300117
1701S29.9Very low30.3Very low86 Ų86123.1 Ų123.160%0.60171%0.707SS**  cis-166176.7-18.146.80000109.6
1702S29.7Very low30.1Very low86 Ų86122.4 Ų122.460%0.60171%0.707SS**  41.5128.3129.376.30000119.3
1703T30Very low29.9Very low105 Ų105125.6 Ų125.664%0.64471%0.709SS**  cis179.5165.88.714.10000109.5
1704K29.8Very low30Very low178 Ų178128.6 Ų128.677%0.77471%0.708SS**  trans66.1149.7137.6-76.6163-177.3173.10117.9
1705S31.1Very low29.9Very low104 Ų104133.1 Ų133.173%0.72771%0.711SS**  trans75.7136.8141.5-73.10000117.4
1706S30.9Very low30.1Very low89 Ų89127 Ų12762%0.62269%0.694SS**  cis-161.5152.9-8.636.70000112.8
1707N29.5Very low30Very low139 Ų139125.7 Ų125.774%0.74369%0.69SS**  29.9137.1125.9-43.2-13000118.4
1708V29.6Very low30.1Very low120 Ų120128.5 Ų128.573%0.72770%0.696SS**  66.894.5124.9172.90000115.3
1709S29Very low30.5Very low102 Ų102125 Ų12571%0.71369%0.688SS**  89.8178.477.9-65.90000111.9
1710V28.4Very low30.5Very low120 Ų120125.7 Ų125.773%0.72770%0.698SS**  trans61.490.6149.5170.90000115.1
1711S28.8Very low31Very low94 Ų94123.1 Ų123.166%0.65770%0.697SS**  60.6111.5117.7-47.90000119.1
1712S28.8Very low31.3Very low94 Ų94124.2 Ų124.266%0.65770%0.702SS**  82.6167.1114.579.30000119.4
1713R28.8Very low31.3Very low210 Ų210130 Ų13079%0.79271%0.71SS**  trans76.4103.6159.8-66.5168.4-177.4-168.3-1.4115.8
1714H31Very low31.4Very low153 Ų153131.7 Ų131.771%0.70871%0.711SS**  56.8121121-56.2-64.1000117.3D1716H1714-D1716 IonicContact ND1-OD1 3.05Å
1715R31.4Very low31.9Very low221 Ų221130.3 Ų130.383%0.83471%0.707SS**  -159.5117.487.4-88-135.2144.5101.61.8109.5
1716D31.5Very low32Very low86 Ų86132.7 Ų132.746%0.4671%0.706SS.*  78.697.581.4-65.1-2.6000111.3H1714H1714-D1716 IonicContact ND1-OD1 3.05Å
1717N31.1Very low32.4Very low123 Ų123136.6 Ų136.666%0.65871%0.714SS**  158.9127.2112.6-78.4-33.2000113.1
1718Q32.6Very low32.5Very low168 Ų168137.4 Ų137.479%0.78571%0.714SS**  62.4129.5101.2-56.2178.146.700114.1
1719S38.4Very low32.9Very low100 Ų100137.2 Ų137.270%0.69972%0.715SS**  cis-141.5141.98.5-87.60000109.1
1720A29.7Very low33.1Very low87 Ų87140.1 Ų140.172%0.71972%0.717SS**  66.1133.267.300000113.4
1721P41.6Very low33.5Very low120 Ų120139 Ų13978%0.77971%0.712SS**  trans-90.4179.4-157.339.1-40.3000113.8
1722P35.4Very low34Very low109 Ų109140.2 Ų140.271%0.70872%0.718SS**  -152.9153104.439.7-23.1000118.1
1723R30Very low34.4Very low207 Ų207144 Ų14478%0.78172%0.724SS**  trans45.6145130.4-62.9175.3165.5-178.1-4.4123.6
1724H32.7Very low34.6Very low141 Ų141139 Ų13965%0.65371%0.71SS**  trans66.6163.2147.3-61.2-37.8000116.5
1725H39.4Very low35Very low150 Ų150137.3 Ų137.369%0.69471%0.713SS**  cis-123.2147.8-12.7-95.2-64000106.9
1726H32.5Very low35Very low153 Ų153130.1 Ų130.171%0.70869%0.688SS**  53.8102.975.2-137.568.3000113.6
1727H39.6Very low35.1Very low172 Ų172133.4 Ų133.480%0.79671%0.705SS**  -174.6147.6114.3-97.3-61000114
1728Q31.8Very low35.1Very low156 Ų156132.1 Ų132.173%0.72970%0.695SS**  trans-75.8164161.6-60.5169.3-45.500110
1729P37.4Very low35Very low116 Ų116129.6 Ų129.675%0.75369%0.687SS**  -138.4122.897.334.5-20.8000112.3
1730H34.3Very low34.8Very low162 Ų162131.3 Ų131.375%0.7568%0.684SS**  96.8144.786.7-89.2-77.3000113.9
1731P37.4Very low34.8Very low97 Ų97135.9 Ų135.963%0.6368%0.684SS**  trans-107.3168.7-174.741.2-35.5000114.7
1732P39.1Very low34.5Very low119 Ų119137.8 Ų137.877%0.77368%0.682SS**  trans-125.9145.3131.735.7-26.8000111.1
1733H35.8Very low34.4Very low173 Ų173137.9 Ų137.980%0.80168%0.683SS**  cis81134.348.7-84.1-88.3000116.6
1734H34.7Very low34.4Very low105 Ų105133.4 Ų133.449%0.48668%0.681SS.*  trans-39.9160.5167.1-88.8-84.3000116.2I112 H1736I112-H1734 VanDerWaalsContact CD1-CE1 3.5Å; I112-H1734 WeakPolarHBondContact CD1-CE1 3.37Å; I112-H1734 VanDerWaalsContact CD1-NE2 3.35Å; I112-H1734 WeakPolarHBondContact CD1-NE2 3.41Å; I112-H1734 WeakPolarHBondContact CG1-NE2 3.43Å; H1734-H1736 AromaticContact CE1-CD2 3.39Å; H1734-H1736 PolarHBondContact CE1-CD2 3.33Å; H1734-H1736 AromaticContact CE1-NE2 3.44Å; H1734-H1736 PolarHBondContact CE1-NE2 2.98Å; H1734-H1736 AromaticContact ND1-CD2 3.26Å; H1734-H1736 PolarHBondContact ND1-CD2 3.03Å; H1734-H1736 VanDerWaalsContact ND1-CD2 3.26Å; H1734-H1736 AromaticContact ND1-CG 3.83Å; H1734-H1736 AromaticContact ND1-NE2 3.79Å
1735P37.8Very low34.5Very low119 Ų119135.8 Ų135.877%0.77369%0.692SS**  cis-127.3168.839.344.8-31.6000114.3
1736H32.9Very low34.1Very low69 Ų69135.1 Ų135.132%0.31969%0.694SS.*  cis65.391.845.4-86.2-26.9000118.3Q110 A111 H1734Q110-H1736 VanDerWaalsContact CG-CE1 3.43Å; Q110-H1736 WeakPolarHBondContact CG-CE1 3.36Å; Q110-H1736 WeakPolarHBondContact CG-NE2 3.3Å; Q110-H1736 PolarHBondContact OE1-CD2 3.03Å; Q110-H1736 VanDerWaalsContact OE1-CD2 3.27Å; A111-H1736 WeakPolarHBondContact CB-CE1 3.5Å; A111-H1736 WeakPolarHBondContact CB-NE2 3.5Å; H1734-H1736 AromaticContact CE1-CD2 3.39Å; H1734-H1736 PolarHBondContact CE1-CD2 3.33Å; H1734-H1736 AromaticContact CE1-NE2 3.44Å; H1734-H1736 PolarHBondContact CE1-NE2 2.98Å; H1734-H1736 AromaticContact ND1-CD2 3.26Å; H1734-H1736 PolarHBondContact ND1-CD2 3.03Å; H1734-H1736 VanDerWaalsContact ND1-CD2 3.26Å; H1734-H1736 AromaticContact ND1-CG 3.83Å; H1734-H1736 AromaticContact ND1-NE2 3.79Å
1737L33.4Very low34Very low156 Ų156135.1 Ų135.182%0.81769%0.693SS**  trans173.1158.9142.4-88156.5000105.3
1738Q30.3Very low33.5Very low95 Ų95133.5 Ų133.544%0.44470%0.696SS.*  cis-170.7149.4-37.2-170117.3-59.200105.9
1739N31.1Very low33.4Very low116 Ų116132.2 Ų132.262%0.6270%0.704SS**  trans68.7147.8175.2-55.3-8000115.7
1740H33.1Very low33Very low136 Ų136130.8 Ų130.863%0.6370%0.702SS**  cis-157.5170.1-17.1-106.3-25.1000110.6
1741Y31.3Very low32.9Very low182 Ų182130.1 Ų130.171%0.71471%0.71SS**  trans-9.3147160-58.9-85.8000119.2
1742H34.5Very low32.6Very low160 Ų160130.1 Ų130.174%0.74172%0.718SS**  cis-151.7152.922.2-113.5-74.1000111.4
1743P32.6Very low32.8Very low111 Ų111130.1 Ų130.172%0.72172%0.718SS**  trans-87.9145.9168.134.8-33.3000112.5
1744P31.1Very low32.4Very low114 Ų114128 Ų12874%0.7472%0.721SS**  -145.1151.9119.137.3-23.2000115.9
1745Q34.4Very low32.3Very low191 Ų191128.9 Ų128.989%0.89374%0.736SS**  trans56.5106.5156.1-63.6-176.73.400120.1
1746N32Very low32Very low136 Ų136128.7 Ų128.773%0.72774%0.738SS**  trans-119.1155169.1-82.6-11.4000108.1
1747H29.7Very low31.8Very low152 Ų152129.8 Ų129.870%0.70476%0.759SS**  cis-163.1-175.13.3-108-17000110.2
1748T28.5Very low31.6Very low139 Ų139130.4 Ų130.485%0.85376%0.759SS**  trans67.974.5161.364.80000120.3
1749S30.2Very low31.7Very low128 Ų128131.8 Ų131.890%0.89577%0.774SS**  -143.9154119.865.70000109.1
1750A28.4Very low31.6Very low86 Ų86133.2 Ų133.271%0.71178%0.777SS**  trans-117.6152.8-174.400000111.7
1751T32.9Very low31.6Very low149 Ų149133.8 Ų133.891%0.91478%0.784SS**  trans55.89116642.40000117.1
1752A31.8Very low31.4Very low97 Ų97133 Ų13380%0.80279%0.787SS**  trans-147.4168.1158.100000108.5
1753P42.5Very low31.3Very low119 Ų119129.6 Ų129.677%0.77379%0.786SS**  -129.2138-68.135.2-21.8000113.2
1754C26.9Very low31.1Very low129 Ų129130.8 Ų130.887%0.87279%0.791SS**  trans-165.9157.6171.1-97.40000110.3
1755P33Very low31.1Very low122 Ų122129.8 Ų129.879%0.79279%0.787SS**  cis-129.7-175.3-25.640.5-24.9000112.5
1756S30.8Very low30.8Very low116 Ų116127.4 Ų127.481%0.81178%0.78SS**  trans-78.7-178.5171.2-48.10000113.6
1757A30.5Very low30.8Very low92 Ų92127.8 Ų127.876%0.7678%0.782SS**  trans93.7143.9159.400000116.2
1758M28.9Very low30.7Very low169 Ų169127.5 Ų127.583%0.83379%0.786SS**  cis-163.7138.5-1.7-137.2170.5168.300112.8
1759V31.5Very low31Very low123 Ų123126.4 Ų126.475%0.74578%0.779SS**  trans-176.8104146.6167.10000103.9
1760Q30.1Very low31.2Very low146 Ų146127.8 Ų127.868%0.68278%0.776SS**  55.7130.997.6-67.6161.4-7700113.9
1761L31.3Very low31.8Very low148 Ų148128.8 Ų128.878%0.77578%0.775SS**  cis-125.6160.58-75.497.9000109.9
1762Q28.9Very low31.8Very low166 Ų166128 Ų12878%0.77677%0.765SS**  cis91.9134.627.6-164.3-179.1800114.2
1763A32Very low31.9Very low88 Ų88132.1 Ų132.173%0.72777%0.767SS**  trans69.6137.4-174.700000115
1764V27.8Very low31.8Very low137 Ų137132.7 Ų132.783%0.8376%0.76SS**  cis80.2138.212.1-165.20000115.8
1765S30.4Very low32.4Very low92 Ų92132 Ų13264%0.64375%0.754SS**  trans78.9107.4168.8-72.70000120.1
1766N28.5Very low32.6Very low141 Ų141131.5 Ų131.575%0.75475%0.75SS**  71.7153122.3-59.7-0.3000121.6
1767N32.3Very low33.1Very low145 Ų145133 Ų13378%0.77574%0.744SS**  trans69.7109.4166.9-54-22.1000115
1768N28.5Very low33.6Very low145 Ų145134.4 Ų134.478%0.77575%0.745SS**  61.4101.960.5-172.435.1000112.9
1769V33.9Very low34Very low116 Ų116132.1 Ų132.170%0.70374%0.741SS**  178.9120.2126.1147.80000108.9
1770N34.5Very low34.2Very low157 Ų157130.6 Ų130.684%0.8474%0.736SS**  trans-83.9146157.5-86.9-10000108.3
1771P40.6Very low34.6Very low107 Ų107128.4 Ų128.470%0.69574%0.736SS**  -125.8136.61102.318.8000111.1
1772L32.8Very low34.8Very low134 Ų134129.3 Ų129.370%0.70274%0.737SS**  73.5107.350.5-169.488.7000112.6
1773H34.7Very low35.1Very low182 Ų182128.6 Ų128.684%0.84374%0.737SS**  -150.2126.2116.8-109.173.5000112.9
1774Q40.8Very low35.5Very low132 Ų132129.7 Ų129.762%0.61774%0.736SS**  trans-105.8166.1166.7-156-178.638.800106.9
1775P38.1Very low35.8Very low115 Ų115129 Ų12975%0.74774%0.735SS**  -152.1-172.710939.9-21.6000113
1776P36.9Very low36Very low111 Ų111134 Ų13472%0.72175%0.748SS**  -132.8171.6-61.139.8-25.2000113.9
1777H42.4Very low36.3Very low146 Ų146135.5 Ų135.568%0.67678%0.78SS**  trans-84.1171.8168.5-64.6-89.1000112.8V1779H1777-V1779 HydrophobicContact CB-CG2 4.05Å
1778P41.1Very low36.5Very low122 Ų122135.1 Ų135.179%0.79278%0.78SS**  -121.7147.195.1-1.723000113.1
1779V36.3Very low36.9Very low121 Ų121134.5 Ų134.573%0.73378%0.781SS**  cis77.3130.439.8179.20000111.1H1777H1777-V1779 HydrophobicContact CB-CG2 4.05Å
1780S37.1Very low37Very low92 Ų92135.6 Ų135.664%0.64379%0.785SS**  cis-146-177.918.6-134.10000110.8
1781S37.2Very low37.2Very low100 Ų100134.3 Ų134.370%0.69978%0.782SS**  cis-157.3136.43.620.70000108.4
1782Q36.2Very low37Very low167 Ų167136 Ų13678%0.7879%0.787SS**  69.5123.977.7-137.6-175.281.100112
1783I35.7Very low37.3Very low151 Ų151136.1 Ų136.177%0.77479%0.793SS**  -155.4157.867.4-91.1171.1000112
1784P39.1Very low37.4Very low110 Ų110132.9 Ų132.971%0.71479%0.789SS**  trans-118.5-178-14643.4-31.1000115.8
1785P35.7Very low37.2Very low123 Ų123132.9 Ų132.980%0.79980%0.803SS**  trans-102.2167-16639.5-35.6000116.3
1786Q32.8Very low37.1Very low196 Ų196134.4 Ų134.492%0.91681%0.807SS**  trans-140.7144.2148-67.2-172.8-8.800107.2
1787A34.7Very low37.1Very low174 Ų174136.5 Ų136.5100%1.43882%0.815SS**  cis-136.401.300000110.8

Retrieved 1,787 of 1,787 residues in 1677.1 ms (Link to these results)

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