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Isoform c 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 X5M5N0-4 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 1,785 aa.

>WNK_CAEEL|X5M5N0-4|wnk-1
MGSHWLSEQERSRLEAVQQDWRRTRPMKWTSKKRPDDPTTSSPSTVSISNALENSTPSLNNVSSITNSSSPFSLSSAATSTASAIIPFTSNVATNHPHLNHHVSRIPQAIVTGGTNGSLPPLLISPTSAAAATPLISGKAGPMSPSTGSPINVAATVLQNAVSSPQHSIFDRSRLNKIPPNTSLASSSSPSDAANNDKPIQQRHSILSNVRTLTQAMVNDGPRTLTGDDMDKMVSEEERARKEQEKREEEEKAARRIDVEDDFDAQEKPIDKSKNGRFLKFDEELGRGSFKTVFRGLDTETGVAVAWCELQESKLNKTERQRFREEAEMLKDLQHPNIVRFYDYWESADLCGKRKYIVLVTELMTSGTLKMYLKRFKRINIKVLKSWCRQILKGLSFLHTRNPPVIHRDLKCDNIFITGTTGSVKIGDLGLATLKNKSFAKSVIGTPEFMAPEMYEEMYDESVDVYAFGMCLLEMVTGEYPYSECMNPATIYRKVISGVKPECFSRIPAQYPEIREIIDRCIRVRREERSTVKQLLVDDFFTPEDLIGIRVEIKNRDADLNDLNVEIQMQLRVYDEKKRKQYRFKENEGLQFAFDIENDSPDEVVQQMIEQQHIPDEDTRMITKLIKDKVDAFRRDRDHRLLEIKRAKEEEERIREEAEIKEELRLRAEAKEKEKERLEKERLEKKAAAAAAANPNPTPIPPTPATPHSSAQQQPIPPPLSTQTSAEIQQSAQQPSVPVTMIANIPAMSPTSAQPQPVLSPTSAAVPVPTTMIHVPKPSEIPVQNVATTAAPVAANNVPPSPAPFKTEDIQTPTLAQNTVPRTISTDASGLVINTPASIASPSPAPSATDVASTTAPVTPAPTPTTTTDGGAAAASTTTENKEEKRKSNKRKVVMEILGCDESRNFALVSCRLDTSHKSVTFQFAPGTDKPCTIATKLLAEDCLLKVHVHIVEAQLGEVIQLINSDGKKGVGTKLATVLDPNSTEPPTITAVMPKDSSAATASNTKPKIEIEKTPPTRDASQEPNNVQVTNVRKVSQESNAESVQSIPRPGGIIVMSPTNQTDSAPPPTGAAAKPSRFQVTKSADPIATPISSSISTATVIPIVAATPTNITSEPVIVQPITAQVITHLATPSPVSHSLSSNSSPSATTHSNMSSIQSTTSVPGRRFTVQPVSQAESGISSSISTPHPEPTPAITSCPPPVPSVPPVVSNGTLNLEVAPKQTPSATNQNVDTQHSSSTASTATLVSETPATVHVTPISVPAPVQEPLVIDHHSDVLTQLDSELRKVSGVSHSASPSTVVESLTSMTPQTIPLACQTVPASIGQAPAVIAAAHAASLIPNASVPQSPSRLDAETGLAGLHEKLEALKMEQDRREDMGDDAIGTTTTDGKDEIPIDTLKGLAEALGKVIHADGRETTPMPPDHPDLTDASTQQLISPSNPDVLTTMSSAVEGSASSTMIEDIDASTSAVDASMMNSMPPGAQNSTDQIPAAMTLSMDQECAQSMTSSITRNTTGTKLATFENLETALSSTLGTHIRQPNAPSSRDETTAPMTPSFTNERIGGGGGGGATSFSIGTPPSHSPFPVSECDYDLKGQMDLESEDPEVIQMIVRHRMEQHKLLEKQRVEIERLRSKIRVPRATSVNPEMIGDDEADTTLTALQSALGNASLSLPASPPPNTETTKVNTTVIPSDVLATRMTMSQSSTKSSNVSVSSRHRDNQSAPPRHHHHQPHPPHHPHLQNHYHPPQNHTSATAPCPSAMVQLQAVSNNNVNPLHQPPHPVSSQIPPQA
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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
1M29.6Very low54.8Low235 Ų235136 Ų136100%1.15868%0.683SS**  0136.60-51.1174.7-161.900107.1
2G36.3Very low56.5Low73 Ų73130.3 Ų130.375%0.75367%0.666SS**  cis-170.1136-7.900000110.2
3S35.4Very low57.9Low116 Ų116134.1 Ų134.181%0.81167%0.667SS**  trans-152.757.7-171.754.40000111.2
4H40.7Very low58.8Low133 Ų133131.2 Ų131.262%0.61665%0.654SS**  trans-118.445.3-178.9-150.8-55.6000112.1L6H4-L6 PolarHBondContact CE1-O 2.79Å; H4-L6 PolarHBondContact ND1-O 3.47Å
5W52Low59.9Low243 Ų243129.7 Ų129.792%0.9264%0.644SS**  trans-86.90.8-177.8-83.4100.9000114.9
6L59.7Low60.8Low78 Ų78124.9 Ų124.941%0.40863%0.632SS.*SBendtrans-113.2142.1163.7-71.783.8000108H4 E10 R11 L14H4-L6 PolarHBondContact CE1-O 2.79Å; H4-L6 PolarHBondContact ND1-O 3.47Å; L6-E10 HydrophobicContact CB-CB 4.15Å; L6-E10 HydrophobicContact CD2-CB 4.15Å; L6-E10 HydrophobicContact CG-CB 4.42Å; L6-R11 HydrophobicContact CB-CB 4.47Å; L6-L14 HydrophobicContact CD2-CD2 4.46Å
7S76.1Confident61.6Low50 Ų50123.5 Ų123.535%0.3563%0.63SS.*  trans-64.9159.4162.563.20000110.6Q9 E10 R11S7-Q9 PolarHBondContact O-N 2.82Å; S7-E10 VanDerWaalsContact CB-OE2 3.27Å; S7-E10 WeakPolarHBondContact CB-OE2 3.44Å; S7-E10 PolarHBondContact N-OE2 3.43Å; S7-E10 PolarHBondContact O-N 3.09Å; S7-E10 VanDerWaalsContact O-N 3.1Å; S7-E10 VanDerWaalsContact OG-CD 3.31Å; S7-E10 WeakPolarHBondContact OG-CG 3.27Å; S7-E10 PolarHBondContact OG-N 2.85Å; S7-E10 VanDerWaalsContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.24Å; S7-R11 WeakPolarHBondContact O-CB 2.6Å; S7-R11 PolarHBondContact O-N 2.73Å
8E64.6Low61.7Low154 Ų154121.9 Ų121.972%0.7262%0.62SS**Hα-helixtrans-58-33.2172.4-65.1-174132.300111.6R11 S12E8-R11 PolarHBondContact O-N 3.45Å; E8-S12 WeakPolarHBondContact O-CB 3.33Å; E8-S12 PolarHBondContact O-N 3.17Å
9Q69.2Low62Low142 Ų142120.3 Ų120.366%0.66461%0.61SS**Hα-helixtrans-63.2-43.1175-159.275.84100112.1S7 R13S7-Q9 PolarHBondContact O-N 2.82Å; Q9-R13 WeakPolarHBondContact O-CB 2.83Å; Q9-R13 WeakPolarHBondContact O-CG 3.25Å; Q9-R13 PolarHBondContact O-N 3.48Å
10E69.1Low62.5Low103 Ų103119.3 Ų119.348%0.48161%0.606SS.*Hα-helixtrans-74.5-37.5177.2-70.2158.5127.100111.8L6 S7 R13 L14L6-E10 HydrophobicContact CB-CB 4.15Å; L6-E10 HydrophobicContact CD2-CB 4.15Å; L6-E10 HydrophobicContact CG-CB 4.42Å; S7-E10 VanDerWaalsContact CB-OE2 3.27Å; S7-E10 WeakPolarHBondContact CB-OE2 3.44Å; S7-E10 PolarHBondContact N-OE2 3.43Å; S7-E10 PolarHBondContact O-N 3.09Å; S7-E10 VanDerWaalsContact O-N 3.1Å; S7-E10 VanDerWaalsContact OG-CD 3.31Å; S7-E10 WeakPolarHBondContact OG-CG 3.27Å; S7-E10 PolarHBondContact OG-N 2.85Å; S7-E10 VanDerWaalsContact OG-N 3.11Å; S7-E10 PolarHBondContact OG-OE2 3.24Å; E10-R13 PolarHBondContact O-N 2.79Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 PolarHBondContact O-N 2.92Å
11R70.4Confident62.1Low169 Ų169118.2 Ų118.264%0.63860%0.595SS**Hα-helixtrans-62.2-45.8174.9-164.3176.5-171.61781.4110.8L6 S7 E8 L14 E15L6-R11 HydrophobicContact CB-CB 4.47Å; S7-R11 WeakPolarHBondContact O-CB 2.6Å; S7-R11 PolarHBondContact O-N 2.73Å; E8-R11 PolarHBondContact O-N 3.45Å; R11-L14 PolarHBondContact O-N 2.83Å; R11-E15 VanDerWaalsContact O-CB 3.28Å; R11-E15 WeakPolarHBondContact O-CB 3.41Å; R11-E15 PolarHBondContact O-N 2.85Å
12S75.4Confident63.7Low67 Ų67113.4 Ų113.447%0.46956%0.564SS.*Hα-helixtrans-65.9-34.1174.3-176.70000112.5E8 A16E8-S12 WeakPolarHBondContact O-CB 3.33Å; E8-S12 PolarHBondContact O-N 3.17Å; S12-A16 WeakPolarHBondContact O-CB 3.39Å; S12-A16 PolarHBondContact O-N 2.97Å
13R74Confident65.1Low180 Ų180118.9 Ų118.968%0.67956%0.561SS**Hα-helixtrans-69.6-38.4171.7-74.4174.693.5173.58.3112.6Q9 E10 A16 V17Q9-R13 WeakPolarHBondContact O-CB 2.83Å; Q9-R13 WeakPolarHBondContact O-CG 3.25Å; Q9-R13 PolarHBondContact O-N 3.48Å; E10-R13 PolarHBondContact O-N 2.79Å; R13-A16 PolarHBondContact O-N 2.8Å; R13-V17 WeakPolarHBondContact O-CG2 3.37Å; R13-V17 PolarHBondContact O-N 3.38Å
14L70.4Confident66.2Low94 Ų94117.6 Ų117.649%0.49255%0.549SS..Hα-helixtrans-65.8-43.5175.2-158.783.8000110.7L6 E10 R11 V17 Q18L6-L14 HydrophobicContact CD2-CD2 4.46Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 PolarHBondContact O-N 2.92Å; R11-L14 PolarHBondContact O-N 2.83Å; L14-V17 PolarHBondContact O-N 2.85Å; L14-Q18 WeakPolarHBondContact O-CB 3.14Å; L14-Q18 WeakPolarHBondContact O-CG 3.39Å; L14-Q18 PolarHBondContact O-N 3.48Å
15E75.2Confident66.6Low109 Ų109115.4 Ų115.451%0.50954%0.535SS..Hα-helixtrans-65.8-37.9175.5-173.5169.5-13400112R11 Q18 Q19R11-E15 VanDerWaalsContact O-CB 3.28Å; R11-E15 WeakPolarHBondContact O-CB 3.41Å; R11-E15 PolarHBondContact O-N 2.85Å; E15-Q18 PolarHBondContact O-N 2.94Å; E15-Q19 WeakPolarHBondContact O-CB 3.46Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 3.07Å
16A75.5Confident66.1Low53 Ų53108.9 Ų108.944%0.43852%0.524SS..Hα-helixtrans-65.1-42171.800000112.1S12 R13 Q19 D20S12-A16 WeakPolarHBondContact O-CB 3.39Å; S12-A16 PolarHBondContact O-N 2.97Å; R13-A16 PolarHBondContact O-N 2.8Å; A16-Q19 PolarHBondContact O-N 3.33Å; A16-D20 WeakPolarHBondContact O-CB 3.31Å; A16-D20 PolarHBondContact O-N 3.39Å
17V73.7Confident65Low101 Ų101114.3 Ų114.361%0.61255%0.55SS*.Hα-helixtrans-65.7-38.6174.3168.60000111.3R13 L14 D20 W21R13-V17 WeakPolarHBondContact O-CG2 3.37Å; R13-V17 PolarHBondContact O-N 3.38Å; L14-V17 PolarHBondContact O-N 2.85Å; V17-D20 PolarHBondContact O-N 3.34Å; V17-W21 WeakPolarHBondContact O-CB 3.21Å; V17-W21 PolarHBondContact O-N 3.16Å
18Q64Low63.2Low95 Ų95120.3 Ų120.344%0.44457%0.569SS.*Hα-helixtrans-67.7-36.8173.3-74.6178.1-6.500112.3L14 E15 R22L14-Q18 WeakPolarHBondContact O-CB 3.14Å; L14-Q18 WeakPolarHBondContact O-CG 3.39Å; L14-Q18 PolarHBondContact O-N 3.48Å; E15-Q18 PolarHBondContact O-N 2.94Å; Q18-R22 WeakPolarHBondContact O-CB 3.37Å; Q18-R22 VanDerWaalsContact O-CG 3.26Å; Q18-R22 WeakPolarHBondContact O-CG 3.35Å; Q18-R22 PolarHBondContact O-N 2.89Å
19Q67.4Low61.5Low90 Ų90124.5 Ų124.542%0.42158%0.579SS.*Hα-helixtrans-67.7-37.6171.7-77.8-167.53600112.2E15 A16 R22 R23E15-Q19 WeakPolarHBondContact O-CB 3.46Å; E15-Q19 WeakPolarHBondContact O-CG 3.41Å; E15-Q19 PolarHBondContact O-N 3.07Å; A16-Q19 PolarHBondContact O-N 3.33Å; Q19-R22 PolarHBondContact O-N 2.86Å; Q19-R23 WeakPolarHBondContact O-CB 3.26Å; Q19-R23 WeakPolarHBondContact O-CD 3.35Å; Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 2.86Å
20D71Confident59.8Low100 Ų100123.7 Ų123.754%0.53558%0.584SS.*Hα-helixtrans-69.4-40.6177.5-159.147.9000111.1A16 V17 R22 R23 T24A16-D20 WeakPolarHBondContact O-CB 3.31Å; A16-D20 PolarHBondContact O-N 3.39Å; V17-D20 PolarHBondContact O-N 3.34Å; D20-R22 PolarHBondContact O-N 3.15Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 VanDerWaalsContact O-N 3.17Å; D20-T24 WeakPolarHBondContact O-CB 3.26Å; D20-T24 WeakPolarHBondContact O-CG2 3.32Å; D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.32Å
21W54.2Low58Low98 Ų98123.2 Ų123.237%0.37159%0.592SS.*Hα-helixtrans-60.1-43.3169.9-170.180.2000112V17 R23 T24 R25 A593V17-W21 WeakPolarHBondContact O-CB 3.21Å; V17-W21 PolarHBondContact O-N 3.16Å; W21-R23 VanDerWaalsContact C-N 3.34Å; W21-R23 PolarHBondContact O-N 3.46Å; W21-T24 WeakPolarHBondContact CA-OG1 3.43Å; W21-T24 PolarHBondContact O-N 3.35Å; W21-T24 PolarHBondContact O-OG1 2.93Å; W21-R25 PolarHBondContact O-N 2.83Å; W21-R25 VanDerWaalsContact O-N 3.16Å; W21-A593 HydrophobicContact CZ3-CB 4.35Å
22R63.4Low56Low134 Ų134125 Ų12551%0.50661%0.605SS.*Hα-helixtrans-65-32.4173.3-77.4172.5165.2-166.5-10.6113.4Q18 Q19 D20 E566Q18-R22 WeakPolarHBondContact O-CB 3.37Å; Q18-R22 VanDerWaalsContact O-CG 3.26Å; Q18-R22 WeakPolarHBondContact O-CG 3.35Å; Q18-R22 PolarHBondContact O-N 2.89Å; Q19-R22 PolarHBondContact O-N 2.86Å; D20-R22 PolarHBondContact O-N 3.15Å; R22-E566 IonicContact CZ-OE1 3.88Å; R22-E566 IonicContact CZ-OE2 2.84Å; R22-E566 IonicContact NE-OE1 2.76Å; R22-E566 IonicContact NH2-OE1 3.61Å; R22-E566 PolarHBondContact NH2-OE1 3.37Å; R22-E566 IonicContact NH2-OE2 3.52Å; R22-E566 PolarHBondContact NH2-OE2 2.93Å
23R65Low53.9Low187 Ų187131 Ų13171%0.70662%0.622SS**Hα-helixtrans-81.1-26178-73.6163.5-173-97.83.2113.5Q19 D20 W21Q19-R23 WeakPolarHBondContact O-CB 3.26Å; Q19-R23 WeakPolarHBondContact O-CD 3.35Å; Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 2.86Å; D20-R23 PolarHBondContact O-N 3.49Å; D20-R23 VanDerWaalsContact O-N 3.17Å; W21-R23 VanDerWaalsContact C-N 3.34Å; W21-R23 PolarHBondContact O-N 3.46Å
24T59.9Low51.7Low89 Ų89132.7 Ų132.755%0.54663%0.628SS.*Hα-helixtrans-89.7-14.1178.748.30000113.2D20 W21 P26D20-T24 WeakPolarHBondContact O-CB 3.26Å; D20-T24 WeakPolarHBondContact O-CG2 3.32Å; D20-T24 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-OG1 3.32Å; W21-T24 WeakPolarHBondContact CA-OG1 3.43Å; W21-T24 PolarHBondContact O-N 3.35Å; W21-T24 PolarHBondContact O-OG1 2.93Å; T24-P26 VanDerWaalsContact O-CD 3.26Å; T24-P26 WeakPolarHBondContact O-CD 3.39Å
25R49.7Very low49.8Very low87 Ų87133.2 Ų133.233%0.32864%0.637SS.*SBendtrans-58.4117.1168.9-152.9-177.5-154.9-135.813.2109.8W21 M27 D599W21-R25 PolarHBondContact O-N 2.83Å; W21-R25 VanDerWaalsContact O-N 3.16Å; R25-M27 PolarHBondContact O-N 2.81Å; R25-D599 IonicContact CZ-OD1 2.75Å; R25-D599 IonicContact CZ-OD2 3.37Å; R25-D599 IonicContact NH1-OD1 3.41Å; R25-D599 PolarHBondContact NH1-OD1 2.98Å; R25-D599 IonicContact NH1-OD2 2.76Å; R25-D599 VanDerWaalsContact NH2-CG 3.26Å; R25-D599 IonicContact NH2-OD1 3.09Å; R25-D599 PolarHBondContact NH2-OD1 3.31Å; R25-D599 VanDerWaalsContact NH2-OD1 3.09Å; R25-D599 IonicContact NH2-OD2 2.76Å; R25-D599 PolarHBondContact NH2-OD2 2.81Å
26P40.3Very low47.8Very low107 Ų107134.7 Ų134.770%0.69565%0.649SS**  trans-69.3109.1-175.1-21.133.9000111.9T24 K28T24-P26 VanDerWaalsContact O-CD 3.26Å; T24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-K28 VanDerWaalsContact C-N 3.31Å; P26-K28 PolarHBondContact O-N 3.44Å
27M36.5Very low45.7Very low192 Ų192139 Ų13995%0.94667%0.665SS**  trans-67.188.1169.9-80.7-169167.600110.5R25 W29R25-M27 PolarHBondContact O-N 2.81Å; M27-W29 PolarHBondContact O-N 3.28Å; M27-W29 VanDerWaalsContact O-N 3.09Å
28K38.5Very low44Very low175 Ų175139.3 Ų139.376%0.76167%0.668SS**  trans-69.4101.9166-78.9-178179.51700109P26 T30P26-K28 VanDerWaalsContact C-N 3.31Å; P26-K28 PolarHBondContact O-N 3.44Å; K28-T30 VanDerWaalsContact C-N 3.27Å; K28-T30 PolarHBondContact O-N 2.82Å
29W28.5Very low42.4Very low243 Ų243140.5 Ų140.592%0.9268%0.682SS**  trans-64.385.3168-115.8-32.5000110M27 S31M27-W29 PolarHBondContact O-N 3.28Å; M27-W29 VanDerWaalsContact O-N 3.09Å; W29-S31 PolarHBondContact O-N 3.11Å
30T34Very low40.8Very low124 Ų124142.3 Ų142.376%0.76170%0.7SS**  trans-78.665.2168.653.50000110K28 K32K28-T30 VanDerWaalsContact C-N 3.27Å; K28-T30 PolarHBondContact O-N 2.82Å; T30-K32 PolarHBondContact O-N 2.99Å
31S30.8Very low39Very low94 Ų94142.8 Ų142.866%0.65771%0.711SS**  trans-65.382161-71.60000108.8W29 K33W29-S31 PolarHBondContact O-N 3.11Å; S31-K33 PolarHBondContact O-N 3.1Å
32K29.7Very low37.8Very low207 Ų207143.9 Ų143.990%0.973%0.733SS**  trans-72.967.5176.7-164173.1-175.4176.10109.9T30T30-K32 PolarHBondContact O-N 2.99Å
33K29.7Very low36.6Very low191 Ų191143.1 Ų143.183%0.8375%0.746SS**  trans-58.6156.3164.2-87.3-169.4171.7-173.70109.3S31S31-K33 PolarHBondContact O-N 3.1Å
34R29.1Very low34.9Very low217 Ų217139.3 Ų139.382%0.81975%0.748SS**  trans-56.5159.3168.1-68.4-179177.6179.7-2.4110.9
35P30.7Very low33.5Very low105 Ų105141 Ų14168%0.68276%0.758SS**  trans-64.4-162.4156.534.5-37.8000110.5
36D32.5Very low32.5Very low139 Ų139142.2 Ų142.274%0.74378%0.775SS**  trans77.1127.1-178.1-34.4-31.6000111.4
37D30.7Very low31.9Very low145 Ų145139.4 Ų139.478%0.77576%0.758SS**  cis-165.3158.22.6-171.535.4000110
38P39.3Very low31.5Very low106 Ų106134.7 Ų134.769%0.68874%0.736SS**  trans-116.382.1169.438-26.7000115.3
39T30.2Very low31.1Very low120 Ų120131.3 Ų131.374%0.73673%0.734SS**  trans69.7136.6145.569.80000118.2
40T33.2Very low31.1Very low129 Ų129125.8 Ų125.879%0.79172%0.723SS**  -165.9119.553.844.90000114.6
41S33Very low30.9Very low110 Ų110124 Ų12477%0.76972%0.72SS**  trans172.7107.514356.20000109.4
42S30Very low30.8Very low120 Ų120126.3 Ų126.384%0.83973%0.725SS**  89.5143.778.1-67.20000113.2
43P36.5Very low30.7Very low118 Ų118123.3 Ų123.377%0.76671%0.714SS**  trans-123.7-170-130.143.3-33.4000116.8
44S29.7Very low30.9Very low107 Ų107120.8 Ų120.875%0.74871%0.709SS**  trans91.9142.5168.682.70000116.5
45T30.3Very low31.2Very low125 Ų125114.7 Ų114.777%0.76770%0.7SS**  cis-162.8152.3-11.99.50000113.2
46V29.5Very low31.2Very low112 Ų112116 Ų11668%0.67971%0.706SS**  trans71.1129.9144.2172.80000122.1L74V46-L74 HydrophobicContact CG2-CD1 4.41Å
47S27.4Very low31.6Very low49 Ų49115 Ų11534%0.34371%0.708SS.*  trans15.6146.7150.9-54.20000124.5F72S47-F72 WeakPolarHBondContact OG-CE1 3.19Å
48I27.9Very low31.6Very low92 Ų92113.1 Ų113.147%0.47271%0.705SS.*  trans-79.2152.3161.9-43.2170.2000110.5P71 F72I48-P71 HydrophobicContact CB-CG 4.21Å; I48-P71 HydrophobicContact CD1-CG 3.89Å; I48-P71 HydrophobicContact CG2-CG 3.85Å; I48-F72 HydrophobicContact CB-CB 3.98Å; I48-F72 HydrophobicContact CB-CG 4.47Å
49S30.5Very low31.2Very low104 Ų104114.6 Ų114.673%0.72771%0.707SS**  trans-156139.4157.2-71.20000110.3
50N28.1Very low31.4Very low127 Ų127115.7 Ų115.768%0.67971%0.708SS**  trans-105.1145.2175.1-93.5-22.8000110.6S70N50-S70 PolarHBondContact ND2-O 3.25Å
51A29.8Very low31.4Very low86 Ų86116.4 Ų116.471%0.71171%0.707SS**  trans175.3140.7148.100000115.4
52L28.8Very low31.4Very low144 Ų144116.7 Ų116.775%0.75470%0.704SS**  trans66.8146.1145-89.871.4000120.2
53E27.2Very low31.7Very low143 Ų143116.1 Ų116.167%0.66870%0.7SS**  cis-168176.9-13.7-145.6166.9-14100112.6
54N34.5Very low31.5Very low138 Ų138115.5 Ų115.574%0.73870%0.699SS**  trans76.3144161.7-64.7-49.4000118.8
55S36.2Very low31.6Very low90 Ų90117.5 Ų117.563%0.62970%0.699SS**  cis-166.6119.9-6.746.70000114.4
56T29.6Very low31.6Very low132 Ų132117.5 Ų117.581%0.8170%0.699SS**  43.4146.1122.9630000122.4
57P41.7Very low31.7Very low119 Ų119120 Ų12077%0.77371%0.709SS**  -140.414755.935.9-15.3000117.2
58S30.3Very low32.3Very low104 Ų104122.3 Ų122.373%0.72773%0.725SS**  74.113588.2-144.80000114.9
59L31.7Very low32.8Very low137 Ų137123.7 Ų123.772%0.71774%0.743SS**  cis-139.5164.116.2-86.393.1000112.6
60N33.2Very low33.2Very low144 Ų144123.3 Ų123.377%0.7774%0.741SS**  trans54.4126.9153.8-58.7-16.9000118.3
61N32.5Very low33.9Very low144 Ų144119.8 Ų119.877%0.7772%0.724SS**  cis-169.9173.5-1.8-150.111.1000105.6
62V34.9Very low34.2Very low115 Ų115121.9 Ų121.970%0.69772%0.718SS**  cis-147.2-174.914.1-150.40000108.8
63S35.3Very low34.4Very low108 Ų108119.8 Ų119.876%0.75572%0.715SS**  trans-39.2142.6162-47.30000114.2
64S32.2Very low34.4Very low105 Ų105119.1 Ų119.173%0.73472%0.716SS**  cis-171.1-178.53.444.20000108
65I32Very low34.3Very low149 Ų149118.4 Ų118.476%0.76472%0.721SS**  cis-136.4-140.717.9-41.7160.3000109.9
66T31.2Very low34Very low125 Ų125119.9 Ų119.977%0.76773%0.732SS**  trans-158.5172.3-169.555.60000111.7
67N30.5Very low34.3Very low164 Ų164118.6 Ų118.688%0.87773%0.734SS**  -165.4-176.1-59.3-125.76000108.6
68S40Very low33.8Very low99 Ų99117.3 Ų117.369%0.69273%0.734SS**  trans-118.8161.7-162.351.90000117.8
69S38.1Very low34Very low121 Ų121119 Ų11985%0.84674%0.74SS**  trans68.8146.7164.8320000119.6
70S39.7Very low34Very low96 Ų96117.1 Ų117.167%0.67174%0.738SS**  trans-117.6-105.7-167.646.70000114.8N50N50-S70 PolarHBondContact ND2-O 3.25Å
71P43.7Very low34Very low52 Ų52117.2 Ų117.234%0.33874%0.744SS.*  cis-133.8-177.8-9.544.4-26.9000116.6I48I48-P71 HydrophobicContact CB-CG 4.21Å; I48-P71 HydrophobicContact CD1-CG 3.89Å; I48-P71 HydrophobicContact CG2-CG 3.85Å
72F34.4Very low34Very low130 Ų130114.8 Ų114.857%0.5774%0.744SS**  trans77168157.7-134-97.4000120S47 I48S47-F72 WeakPolarHBondContact OG-CE1 3.19Å; I48-F72 HydrophobicContact CB-CB 3.98Å; I48-F72 HydrophobicContact CB-CG 4.47Å
73S33.2Very low33.9Very low101 Ų101114.8 Ų114.871%0.70675%0.749SS**  trans-171.7170.1-175.9-78.20000112.9
74L28.6Very low33.7Very low129 Ų129114.4 Ų114.468%0.67575%0.753SS**  trans-159.8132.4165.2-124.2-176.5000114.6V46V46-L74 HydrophobicContact CG2-CD1 4.41Å
75S31.3Very low33.8Very low122 Ų122117.7 Ų117.785%0.85376%0.76SS**  trans159.2174.3144.555.20000111.4
76S29.9Very low34Very low122 Ų122118.1 Ų118.185%0.85376%0.763SS**  trans-138.1159.8-159.864.90000115
77A36.2Very low34.7Very low104 Ų104116 Ų11686%0.8675%0.751SS**  trans-149.2149.5165.400000110.9
78A31.4Very low34.9Very low92 Ų92117.1 Ų117.176%0.7675%0.748SS**  trans-89.8172.617800000111.7
79T34.7Very low34.8Very low139 Ų139117.8 Ų117.885%0.85375%0.748SS**  -172.6157.178.5-58.50000111.3
80S30.9Very low34.7Very low99 Ų99117.6 Ų117.669%0.69275%0.747SS**  trans-63.8163.8175.3-45.70000113.8
81T33.1Very low34.5Very low145 Ų145120.2 Ų120.289%0.8975%0.753SS**  -169.4-177.269.340.20000111.6
82A33.2Very low34.2Very low94 Ų94123.2 Ų123.278%0.77777%0.771SS**  trans-139.7168.7-165.100000116.6
83S31.9Very low34.1Very low115 Ų115120.9 Ų120.980%0.80478%0.775SS**  trans86.992.7153.1-59.80000122.8
84A32.7Very low34.3Very low100 Ų100122.2 Ų122.283%0.82678%0.779SS**  62.8119.1120.700000124.7
85I34.2Very low34.6Very low174 Ų174123.5 Ų123.589%0.89279%0.787SS**  trans-161.6174.3138.9-111.5167.5000110.8
86I34.6Very low34.6Very low158 Ų158126.4 Ų126.481%0.8179%0.786SS**  trans-120.4-73.8-144.4-33.8178.5000121.1
87P46.1Very low35.2Very low81 Ų81125.9 Ų125.953%0.52678%0.78SS.*  -130.8-178.2-129.540.5-25.9000119.7
88F35Very low35.1Very low187 Ų187129 Ų12982%0.8278%0.776SS**  trans87.2152.3162.2-52.4-38.7000119.4
89T37.1Very low35.1Very low113 Ų113131 Ų13169%0.69377%0.774SS**  cis-169.4157.7-17.631.10000113
90S37.8Very low35Very low116 Ų116130.4 Ų130.481%0.81177%0.765SS**  trans70.2163.7145.766.40000122.6
91N35.1Very low35.2Very low151 Ų151132.9 Ų132.981%0.80777%0.766SS**  cis-172.3170.7-39-164.411.9000112.1
92V36.2Very low35.3Very low116 Ų116133.6 Ų133.670%0.70376%0.759SS**  trans7997.4159.9-168.50000122
93A33.9Very low35.3Very low81 Ų81134.9 Ų134.967%0.66976%0.757SS**  trans81.5117.4130.600000126.2
94T35.6Very low35.3Very low128 Ų128134.3 Ų134.379%0.78575%0.753SS**  trans86.2131.1133.6480000124.5
95N36.2Very low35.2Very low157 Ų157140.3 Ų140.384%0.8475%0.754SS**  trans83.6129.5158.9-64.6-15.5000120.7
96H31.3Very low35.2Very low182 Ų182139.7 Ų139.784%0.84375%0.751SS**  trans-71.3159.8179.6-84.7-62000112.6
97P42Very low35.6Very low111 Ų111137.2 Ų137.272%0.72175%0.745SS**  cis-148.3166.646.841.1-20.5000121.1
98H33.5Very low34.8Very low169 Ų169142.6 Ų142.678%0.78276%0.763SS**  trans65.4129.9156.7-86.4-80.4000123.2
99L32.7Very low34.7Very low134 Ų134137.9 Ų137.970%0.70276%0.759SS**  trans74.6109.4153.9-94.369.3000122.5
100N32Very low34.4Very low127 Ų127140.1 Ų140.168%0.67977%0.765SS**  73.595.6126.8-67.810.2000123
101H35.3Very low34.1Very low151 Ų151140.9 Ų140.970%0.69977%0.765SS**  86.4129.4115.2-92.6-74000123.1
102H33.9Very low33.9Very low160 Ų160140 Ų14074%0.74177%0.765SS**  trans65.7142.7156.4-72.6-74.8000120.3
103V33.9Very low33.6Very low121 Ų121138 Ų13873%0.73377%0.768SS**  cis-170.8139.9-31.3111.10000109.5
104S31.6Very low33.6Very low104 Ų104137.3 Ų137.373%0.72777%0.768SS**  trans170.8140.6147.3-86.80000117.4
105R31.8Very low33.6Very low225 Ų225137.4 Ų137.485%0.84977%0.769SS**  trans48.8103.6144.6-60.9-177.7176.6-170.7-1.6123.3
106I33.7Very low33.4Very low161 Ų161137.9 Ų137.983%0.82677%0.771SS**  39.5138.197.3-57.9172.9000118.1
107P42Very low33.4Very low107 Ų107132.7 Ų132.770%0.69577%0.767SS**  cis-140.4169.2-13.539.8-20.4000119.1
108Q31.2Very low32.9Very low193 Ų193132.9 Ų132.990%0.90277%0.771SS**  trans35.8130.7146.8-63.3-176.3800124.7
109A32.9Very low32.7Very low89 Ų89132.7 Ų132.774%0.73678%0.775SS**  174.7115.3103.200000117.2
110I30.4Very low33.2Very low159 Ų159131.3 Ų131.382%0.81577%0.774SS**  trans54.4149.6137-43.5-178000122.6
111V30.1Very low33.8Very low133 Ų133131.1 Ų131.181%0.80678%0.779SS**  trans85.6127.5172.8-169.20000114.5
112T32.4Very low33.6Very low133 Ų133131 Ų13182%0.81678%0.784SS**  cis-98.7-168.6-0.259.70000111.7
113G30.4Very low33.5Very low74 Ų74130.1 Ų130.176%0.76378%0.783SS**  cis117.2117.4-10.400000115.7
114G32.8Very low33.7Very low65 Ų65132 Ų13267%0.6779%0.788SS**  trans166.394.9176.900000112.1
115T35Very low34Very low131 Ų131131.3 Ų131.380%0.80478%0.783SS**  79.8112.395.7540000117.4
116N33.2Very low34.8Very low167 Ų167126.1 Ų126.189%0.89378%0.778SS**  trans52.5156.5142.8-58.7-7.5000121.1
117G31Very low35Very low73 Ų73124.2 Ų124.275%0.75377%0.774SS**  trans-124.6-173175.800000114.2
118S31Very low34.7Very low114 Ų114124 Ų12480%0.79778%0.775SS**  trans80.8112.7170.3-82.90000120.8
119L29.7Very low34.8Very low165 Ų165119.6 Ų119.686%0.86477%0.772SS**  trans96.5151.9135.8-62.6169.9000120.7
120P44Very low34.8Very low105 Ų105120 Ų12068%0.68278%0.776SS**  trans-133.7177.8-148.745.4-28.5000116.5
121P43.2Very low34.8Very low123 Ų123116.9 Ų116.980%0.79977%0.773SS**  trans-109.7176.3137-10.831.4000112.2
122L32Very low34.9Very low150 Ų150115.4 Ų115.479%0.78578%0.775SS**  cis-146.2-125.27-143.6175.1000110.9
123L31.4Very low34.8Very low140 Ų140115.5 Ų115.573%0.73378%0.776SS**  trans-146.3158.2-172.9-68.5169.8000109
124I38.3Very low35.3Very low161 Ų161117.1 Ų117.183%0.82677%0.773SS**  -149.1109.170.8-75.2161.9000108.7
125S37.1Very low35Very low90 Ų90121.2 Ų121.263%0.62978%0.778SS**  94.7168.395.7-50.90000113.8
126P50.1Low34.8Very low116 Ų116122 Ų12275%0.75378%0.776SS**  -115176.1-93.631.5-11.8000113.7
127T36.7Very low34.6Very low120 Ų120119.8 Ų119.874%0.73677%0.774SS**  -172.5148.656-47.30000112.8
128S36.2Very low34.6Very low103 Ų103119.4 Ų119.472%0.7277%0.77SS**  trans52.8121.4165.553.90000119.2
129A33.4Very low34.4Very low100 Ų100124 Ų12483%0.82678%0.776SS**  cis64.4144.29.900000117
130A32.5Very low34.5Very low99 Ų99120.9 Ų120.982%0.81877%0.773SS**  cis-169.3-167.9-19.300000107.7
131A31Very low34Very low92 Ų92119.1 Ų119.176%0.7677%0.774SS**  cis-165.6176.6600000112.4
132A31.8Very low33.9Very low103 Ų103118.8 Ų118.885%0.85177%0.772SS**  trans82.7156.2144.900000124
133T30.8Very low33.8Very low135 Ų135119.8 Ų119.883%0.82878%0.775SS**  trans-111.3-176.1-173.224.20000112.1
134P41Very low33.6Very low108 Ų108118.4 Ų118.470%0.70178%0.777SS**  cis-134.1-168.6-20.134.2-13.2000114.7
135L25.3Very low33.7Very low150 Ų150116 Ų11679%0.78577%0.772SS**  trans81.5145.3155.4-110.574.7000120.9
136I32.1Very low33.5Very low148 Ų148116.9 Ų116.976%0.75978%0.778SS**  trans74.1118.3154.4-65.1167.6000120.4
137S29Very low32.8Very low121 Ų121117.8 Ų117.885%0.84678%0.782SS**  trans55.1144.4141.7-164.80000123.4
138G29Very low32.6Very low65 Ų65115.4 Ų115.467%0.6778%0.781SS**  trans91120.6167.200000112.9
139K28.2Very low32.5Very low210 Ų210116.4 Ų116.491%0.91379%0.788SS**  cis74.712228.8-156.6176.8-176.3176.90114.1
140A31.1Very low32.9Very low99 Ų99116.6 Ų116.682%0.81878%0.78SS**  trans74.5124.3-17900000116.9
141G34.8Very low33Very low68 Ų68119.7 Ų119.770%0.70178%0.782SS**  trans-94.7171.4147.700000109.6
142P40Very low33.2Very low116 Ų116122.1 Ų122.175%0.75378%0.782SS**  -150156.3118.436.9-20.8000116.3
143M29.2Very low33.3Very low171 Ų171123.9 Ų123.984%0.84278%0.782SS**  trans51.4119.4139.4-60162.178.600119.3
144S28.3Very low33.4Very low112 Ų112121.6 Ų121.678%0.78378%0.776SS**  68.7152.569.9-52.70000114.3
145P40.5Very low33.1Very low109 Ų109120 Ų12071%0.70877%0.773SS**  cis-138.6-175.6443.8-26.5000116.8
146S31.7Very low33.5Very low110 Ų110119.1 Ų119.177%0.76977%0.774SS**  trans70.2144.8150.676.60000119.3
147T35.5Very low33.4Very low135 Ų135117.8 Ų117.883%0.82877%0.772SS**  cis-134175.5-2.354.30000110.1
148G32.2Very low33.5Very low69 Ų69118.9 Ų118.971%0.71177%0.768SS**  cis121.984.2-10.900000116.4
149S34.5Very low33.5Very low125 Ų125123.6 Ų123.687%0.87477%0.772SS**  trans-151155161.3-93.50000111.4
150P42.5Very low33.6Very low103 Ų103120.7 Ų120.767%0.66977%0.767SS**  trans-126165.4-137.242-31.6000118.1
151I35.1Very low33.6Very low165 Ų165120 Ų12085%0.84676%0.761SS**  trans-177.6145.5135.5-90.8151.8000107.6
152N33.9Very low33.4Very low142 Ų142123.1 Ų123.176%0.75977%0.766SS**  trans-147.2173-162.5-31.9-89.9000110.5
153V33.7Very low32.8Very low140 Ų140122.5 Ų122.585%0.84876%0.764SS**  cis-164.6167.32.490.80000107.3
154A34.7Very low32.8Very low87 Ų87118.8 Ų118.872%0.71976%0.756SS**  cis-119.4-101.6-5.700000111
155A33.2Very low33.4Very low75 Ų75117.4 Ų117.462%0.6274%0.744SS**  cis-160.4145.7-9.700000106.9
156T33.5Very low32.7Very low132 Ų132119 Ų11981%0.8174%0.742SS**  cis67.191.58.3-47.10000115.8
157V30Very low32.5Very low120 Ų120121.8 Ų121.873%0.72774%0.743SS**  cis75.8149.2-4.2-163.90000117.7
158L31.5Very low32Very low144 Ų144119.2 Ų119.275%0.75473%0.73SS**  trans98.4108.3168.3-59.2176.3000120.5
159Q29Very low31.8Very low163 Ų163122.7 Ų122.776%0.76273%0.731SS**  50152.8108-124.6165.9-100124.2
160N31.2Very low31.8Very low149 Ų149126.1 Ų126.180%0.79773%0.73SS**  trans84142.8165.6-57.3-23000118.3
161A30.7Very low31.1Very low84 Ų84126.6 Ų126.669%0.69473%0.727SS**  cis-165143.8-16.300000114.1
162V30Very low30.8Very low135 Ų135128.3 Ų128.382%0.81872%0.723SS**  trans58.3129.5137.2178.50000123.4
163S28.4Very low30.6Very low102 Ų102126 Ų12671%0.71372%0.718SS**  trans80.396.7153.4-71.70000124
164S28Very low30.3Very low94 Ų94129.8 Ų129.866%0.65772%0.717SS**  55.3157.7111.8-47.70000123.2
165P41.7Very low30Very low83 Ų83132.3 Ų132.354%0.53972%0.718SS.*  -133.1-149.7-68.139.2-20.3000111.8
166Q25.5Very low29.7Very low142 Ų142135.1 Ų135.166%0.66472%0.722SS**  trans83.7172.7179-48.9-51.493.800116.2G1288 V1289Q166-G1288 VanDerWaalsContact CB-O 3.29Å; Q166-G1288 WeakPolarHBondContact CB-O 3.48Å; Q166-V1289 HydrophobicContact CB-CG2 4.12Å
167H27.7Very low29.5Very low169 Ų169138.4 Ų138.478%0.78273%0.726SS**  trans-159.3142.4-148.2148.2-68.5000111.6
168S24.8Very low29.8Very low80 Ų80139.5 Ų139.556%0.55973%0.726SS**  trans-159.4147.7165-170.60000111.5
169I28.5Very low30.3Very low142 Ų142137 Ų13773%0.72872%0.718SS**  trans53.2117.1166.3-65.1160.3000117.6
170F35.2Very low31Very low197 Ų197134.9 Ų134.986%0.86472%0.719SS**  trans-146.9118.1133.2-114.9-72.5000110.8
171D26.7Very low30.9Very low114 Ų114134.1 Ų134.161%0.6171%0.714SS**  trans-122.7146.5146.1-177.123000106.7
172R28.1Very low30.9Very low200 Ų200135.9 Ų135.976%0.75572%0.717SS**  trans48.9126.9174.7-67.9149.2-150.8-114.2-2117.4
173S29.6Very low30.8Very low94 Ų94133.8 Ų133.866%0.65771%0.708SS**  cis-178.6161.95.754.40000112
174R28.4Very low30.8Very low219 Ų219136.8 Ų136.883%0.82672%0.715SS**  trans64.4114.3154.2-69.8-179.5177.6-120.7-3.3121.2
175L27.6Very low30.9Very low140 Ų140135.9 Ų135.973%0.73371%0.713SS**  trans54.2118.6133-80.274.3000120.4
176N27.8Very low30.3Very low135 Ų135137.3 Ų137.372%0.72273%0.725SS**  -178.5150.895-97.8-30.8000114.8
177K30Very low30.4Very low201 Ų201135.2 Ų135.287%0.87473%0.726SS**  trans-124.3101143.6-88.3-172.2172.9-176.40105.5
178I34.5Very low30.4Very low142 Ų142131.8 Ų131.873%0.72872%0.722SS**  94.8133.766.8-77.2167.3000110.6
179P43.6Very low30.4Very low93 Ų93133.7 Ų133.760%0.60474%0.735SS**  trans-112.8-161.7-161.238.9-20.4000112.3
180P42.4Very low30.9Very low118 Ų118132.5 Ų132.577%0.76674%0.737SS**  -133.9157.682.832.7-15.1000113.3
181N29.6Very low30.4Very low132 Ų132128 Ų12871%0.70673%0.73SS**  66.5138.350.1-81.28.8000112.9
182T30Very low30.4Very low121 Ų121130.5 Ų130.574%0.74274%0.743SS**  cis-160.2177.960.60000108.3
183S28.8Very low30.3Very low92 Ų92125.6 Ų125.664%0.64375%0.745SS**  cis-172.3-1754.437.40000109.5
184L28.9Very low30.2Very low164 Ų164125.3 Ų125.386%0.85975%0.748SS**  trans86.1133.7157.9-61.1163.6000117.8
185A30.2Very low30.2Very low75 Ų75121.7 Ų121.762%0.6275%0.745SS**  cis-159.6158.2-7.900000113.7
186S28.1Very low30.1Very low113 Ų113121.2 Ų121.279%0.7974%0.744SS**  trans59.5147154.547.40000120.5
187S27.9Very low30.3Very low98 Ų98121.3 Ų121.369%0.68574%0.744SS**  cis-168.7153.9-16.249.10000112.3
188S27.4Very low30.2Very low98 Ų98119.7 Ų119.769%0.68574%0.737SS**  trans59.1118.5146.762.70000122.6
189S25.6Very low30.3Very low120 Ų120117.7 Ų117.784%0.83973%0.733SS**  84.3158.6129.9-60.70000119.9
190P38.9Very low29.4Very low117 Ų117120.1 Ų120.176%0.7674%0.74SS**  trans-118.1-171.9-150.944.3-34.9000115.4
191S24.3Very low28.9Very low103 Ų103121.9 Ų121.972%0.7274%0.738SS**  trans102.2147.6157.773.70000119
192D27.1Very low29Very low166 Ų166123.2 Ų123.289%0.88874%0.74SS**  trans61.2171.1167.2-64-21.3000119.9
193A26.2Very low28.9Very low96 Ų96128.4 Ų128.479%0.79375%0.746SS**  trans-145.9175.6-150.400000113
194A27.9Very low28.9Very low88 Ų88132.1 Ų132.173%0.72775%0.752SS**  trans91.5143.3161.500000119.1
195N27.1Very low28.7Very low143 Ų143129.4 Ų129.477%0.76575%0.747SS**  trans78116.4155.7-63.5-8.1000120.8
196N26.2Very low28.7Very low131 Ų131133 Ų13370%0.70175%0.754SS**  trans77.7147.2132.2-70.732000119.1
197D31.4Very low28.6Very low136 Ų136135.2 Ų135.273%0.72776%0.757SS**  cis-138.5171.16.5-126.3-46.1000114.1
198K27.6Very low28.5Very low168 Ų168134.8 Ų134.873%0.7375%0.754SS**  trans-85.9-163.3170.7-61.1-175.4176-178.90108.8
199P36.4Very low28.6Very low100 Ų100135.5 Ų135.565%0.64975%0.75SS**  cis-145.5-175-2.442.4-21.9000117.6
200I26.5Very low28.7Very low144 Ų144136.6 Ų136.674%0.73875%0.751SS**  trans73147.8146.2-82.3161.8000116.2
201Q31.5Very low28Very low155 Ų155141 Ų14172%0.72475%0.752SS**  cis-153.6164.722.3-147.5148.418.600114
202Q31.1Very low28.3Very low160 Ų160140.4 Ų140.475%0.74875%0.745SS**  trans52.1136.4160.9-79.7155.4-6600120.2
203R26.9Very low28.5Very low230 Ų230139.5 Ų139.587%0.86874%0.739SS**  cis7585.437.9-77.7-170.5165.8166-3.5116.9
204H29.7Very low28.4Very low169 Ų169140 Ų14078%0.78273%0.733SS**  trans-176.2134.2134.3-98-77.5000105.4
205S25Very low28.4Very low108 Ų108145 Ų14576%0.75574%0.741SS**  cis57.576.12.9-174.40000115.6
206I30.5Very low28.5Very low149 Ų149142.5 Ų142.576%0.76474%0.74SS**  -165.7148.9120.4-102.5158.9000109.5
207L25.7Very low28.6Very low160 Ų160145.3 Ų145.384%0.83875%0.751SS**  trans-57.3152.4170.6-54.9152.6000108.6
208S26Very low28.7Very low89 Ų89144.8 Ų144.862%0.62275%0.753SS**  cis-174.9-174.445.562.20000111.3
209N28.9Very low28.9Very low114 Ų114143.9 Ų143.961%0.6176%0.756SS**  trans90.4130.7167.7-48.8-15.4000114R211N209-R211 VanDerWaalsContact CA-N 3.32Å
210V26.8Very low28.8Very low142 Ų142146.8 Ų146.886%0.86177%0.766SS**SBendcis-66.810823.8-1740000116.6
211R26Very low29.1Very low209 Ų209142.7 Ų142.779%0.78976%0.759SS**  trans-142.775.6144.1-166.6172.9-164.91517.8106.4N209N209-R211 VanDerWaalsContact CA-N 3.32Å
212T30.5Very low29.6Very low91 Ų91141.5 Ų141.556%0.55877%0.765SS**  trans-149117.5-172.2-51.30000105.6
213L30.8Very low29.9Very low147 Ų147145.5 Ų145.577%0.7777%0.773SS**  cis-133.7137.3-14.5-90.3153.6000104.4
214T24.5Very low30.4Very low107 Ų107140.9 Ų140.966%0.65677%0.771SS**  5470.254.3-23.90000114
215Q26.2Very low30.8Very low192 Ų192140.8 Ų140.890%0.89778%0.775SS**  trans-150.2119.1160.4-163.617458.200108.4
216A30.5Very low31.9Very low91 Ų91140.5 Ų140.575%0.75277%0.769SS**  cis-148.2160.5-12.900000110.6
217M27.7Very low32.6Very low190 Ų190136.2 Ų136.294%0.93676%0.762SS**  trans-111.4116.4155.2-87.9-177.5151.300107.7
218V32.9Very low33.8Very low125 Ų125134.4 Ų134.476%0.75875%0.753SS**  trans177.9132.7153.1141.90000106.9
219N32.5Very low35Very low150 Ų150134.2 Ų134.280%0.80275%0.745SS**  trans65.2139-169-49.8-18.7000112.9
220D35.4Very low36Very low160 Ų160134.3 Ų134.386%0.85674%0.743SS**  cis-148.2162.214.5-153.9-16.6000112.1
221G32.5Very low37.3Very low58 Ų58133.7 Ų133.760%0.59874%0.735SS**  trans68.5117.1157.300000120.3
222P40.5Very low38.6Very low131 Ų131130.1 Ų130.185%0.85173%0.725SS**  trans-84.4132.1169.733-32.1000112.4
223R39.4Very low39.6Very low243 Ų243131.4 Ų131.492%0.91773%0.727SS**  trans-137.3122.9159.8-80-161.1169.6-157.1-3.9113.2
224T36.7Very low40.8Very low134 Ų134128.8 Ų128.882%0.82272%0.716SS**  trans-50.6129.1174.149.10000114.4
225L38.2Very low42.6Very low167 Ų167126.8 Ų126.887%0.87471%0.707SS**  trans-132.3158.9146.4-72.9178.7000108.5
226T47.8Very low44.3Very low101 Ų101124.3 Ų124.362%0.6270%0.695SS**  trans-87.4159.8-162.836.20000114.2D228T226-D228 PolarHBondContact O-N 2.83Å; T226-D228 VanDerWaalsContact O-N 3.15Å
227G45.4Very low45.9Very low60 Ų60126.3 Ų126.362%0.61969%0.689SS**G310 helixtrans-68.3-10.4-169.300000116.6D229G227-D229 VanDerWaalsContact C-N 3.34Å; G227-D229 PolarHBondContact O-N 3.45Å
228D50.9Low47.9Very low121 Ų121122 Ų12265%0.64767%0.667SS**G310 helixtrans-77.4-12.2-172.8-54.5-78.3000114.8T226T226-D228 PolarHBondContact O-N 2.83Å; T226-D228 VanDerWaalsContact O-N 3.15Å
229D50.5Low49.8Very low85 Ų85124.2 Ų124.246%0.45566%0.661SS.*G310 helixtrans-94-18.3-178-68.3-48.9000113.8G227 M233G227-D229 VanDerWaalsContact C-N 3.34Å; G227-D229 PolarHBondContact O-N 3.45Å; D229-M233 PolarHBondContact O-N 2.91Å
230M49.6Very low51.8Low117 Ų117119.9 Ų119.958%0.57665%0.646SS**Hα-helixtrans-74.5-43.6177-74.8-77.99400112.6K232 M233 V234M230-K232 PolarHBondContact O-N 3.24Å; M230-M233 HydrophobicContact CE-SD 3.76Å; M230-M233 PolarHBondContact O-N 3.4Å; M230-V234 WeakPolarHBondContact O-CG2 3.2Å; M230-V234 PolarHBondContact O-N 2.97Å
231D55.8Low53.9Low129 Ų129121 Ų12169%0.6964%0.639SS**Hα-helixtrans-64.6-26.3176.5-80.2-17000112.2S235D231-S235 WeakPolarHBondContact O-CB 3.43Å; D231-S235 PolarHBondContact O-N 3.05Å
232K52.6Low55.9Low133 Ų133123.9 Ų123.958%0.57864%0.635SS**Hα-helixtrans-68.3-52.3170.2-78.4178.9-176.5162.60112.1M230 V234 S235 E236M230-K232 PolarHBondContact O-N 3.24Å; K232-V234 VanDerWaalsContact C-N 3.3Å; K232-V234 PolarHBondContact O-N 3.46Å; K232-S235 PolarHBondContact O-N 3.36Å; K232-S235 VanDerWaalsContact O-N 3.16Å; K232-E236 VanDerWaalsContact O-CB 3.32Å; K232-E236 WeakPolarHBondContact O-CB 3.32Å; K232-E236 PolarHBondContact O-N 3.14Å
233M50.7Low57.7Low119 Ų119123.9 Ų123.959%0.58662%0.623SS**Hα-helixtrans-58.7-41.9179.2-77.3-172.865.200112D229 M230 E236 E237D229-M233 PolarHBondContact O-N 2.91Å; M230-M233 HydrophobicContact CE-SD 3.76Å; M230-M233 PolarHBondContact O-N 3.4Å; M233-E236 PolarHBondContact O-N 3.4Å; M233-E237 WeakPolarHBondContact O-CB 3.17Å; M233-E237 PolarHBondContact O-N 3.44Å
234V57.8Low59.3Low91 Ų91118 Ų11855%0.55261%0.606SS**Hα-helixtrans-65.9-42.1176.5176.30000111.4M230 K232 E236 E238M230-V234 WeakPolarHBondContact O-CG2 3.2Å; M230-V234 PolarHBondContact O-N 2.97Å; K232-V234 VanDerWaalsContact C-N 3.3Å; K232-V234 PolarHBondContact O-N 3.46Å; V234-E236 VanDerWaalsContact C-N 3.29Å; V234-E236 PolarHBondContact O-N 3.03Å; V234-E238 WeakPolarHBondContact O-CB 3.28Å; V234-E238 PolarHBondContact O-N 2.76Å
235S60.7Low61.3Low65 Ų65118.1 Ų118.146%0.45560%0.597SS.*Hα-helixtrans-65-30.4175.8-173.50000113.2D231 K232 R239D231-S235 WeakPolarHBondContact O-CB 3.43Å; D231-S235 PolarHBondContact O-N 3.05Å; K232-S235 PolarHBondContact O-N 3.36Å; K232-S235 VanDerWaalsContact O-N 3.16Å; S235-R239 WeakPolarHBondContact O-CB 3.19Å; S235-R239 PolarHBondContact O-N 3.09Å; S235-R239 VanDerWaalsContact O-N 3.1Å
236E62.6Low63.4Low140 Ų140115.3 Ų115.365%0.65458%0.578SS**Hα-helixtrans-82.4-38.1179.7-162.3153.4-126.800112.1K232 M233 V234 R239 A240K232-E236 VanDerWaalsContact O-CB 3.32Å; K232-E236 WeakPolarHBondContact O-CB 3.32Å; K232-E236 PolarHBondContact O-N 3.14Å; M233-E236 PolarHBondContact O-N 3.4Å; V234-E236 VanDerWaalsContact C-N 3.29Å; V234-E236 PolarHBondContact O-N 3.03Å; E236-R239 WeakPolarHBondContact O-CB 3.4Å; E236-R239 PolarHBondContact O-N 2.76Å; E236-A240 WeakPolarHBondContact O-CB 3.34Å; E236-A240 PolarHBondContact O-N 2.84Å
237E63.9Low64.8Low134 Ų134119.3 Ų119.363%0.62658%0.582SS**Hα-helixtrans-69.3-38.5171.6-169.9174-177.500112M233 R239 A240 R241M233-E237 WeakPolarHBondContact O-CB 3.17Å; M233-E237 PolarHBondContact O-N 3.44Å; E237-R239 VanDerWaalsContact C-N 3.29Å; E237-R239 PolarHBondContact O-N 3.44Å; E237-A240 PolarHBondContact O-N 3.38Å; E237-R241 WeakPolarHBondContact O-CB 3.32Å; E237-R241 PolarHBondContact O-N 2.87Å
238E69.2Low66.4Low99 Ų99122 Ų12246%0.46358%0.579SS.*Hα-helixtrans-62.5-35.8170.4-177.173.8-149.100111.5V234 K242V234-E238 WeakPolarHBondContact O-CB 3.28Å; V234-E238 PolarHBondContact O-N 2.76Å; E238-K242 PolarHBondContact O-N 2.59Å; E238-K242 VanDerWaalsContact O-N 3.13Å; E238-K242 IonicContact OE1-NZ 3.93Å; E238-K242 PolarHBondContact OE1-NZ 2.88Å
239R72.5Confident67.6Low172 Ų172123.3 Ų123.365%0.64958%0.58SS**Hα-helixtrans-66.1-50.7171.5-118.1-172.6-179.993.3-2.1111.6S235 E236 E237 R241 K242 E243S235-R239 WeakPolarHBondContact O-CB 3.19Å; S235-R239 PolarHBondContact O-N 3.09Å; S235-R239 VanDerWaalsContact O-N 3.1Å; E236-R239 WeakPolarHBondContact O-CB 3.4Å; E236-R239 PolarHBondContact O-N 2.76Å; E237-R239 VanDerWaalsContact C-N 3.29Å; E237-R239 PolarHBondContact O-N 3.44Å; R239-R241 VanDerWaalsContact C-N 3.28Å; R239-R241 PolarHBondContact O-N 2.83Å; R239-K242 PolarHBondContact O-N 2.76Å; R239-K242 VanDerWaalsContact O-N 3.13Å; R239-E243 WeakPolarHBondContact O-CB 3.42Å; R239-E243 PolarHBondContact O-N 3.36Å
240A75.8Confident68.9Low59 Ų59124.4 Ų124.449%0.48858%0.583SS.*Hα-helixtrans-59.3-40.3-179.900000111.5E236 E237 E243 Q244E236-A240 WeakPolarHBondContact O-CB 3.34Å; E236-A240 PolarHBondContact O-N 2.84Å; E237-A240 PolarHBondContact O-N 3.38Å; A240-E243 PolarHBondContact O-N 3.17Å; A240-Q244 WeakPolarHBondContact O-CB 3.36Å; A240-Q244 PolarHBondContact O-N 2.65Å
241R78.3Confident70.1Confident184 Ų184123.5 Ų123.569%0.69458%0.577SS**Hα-helixtrans-59.9-50.5171.3-87.9-174.6162.4-138.2-6.1112.7E237 R239 E243 Q244 E245E237-R241 WeakPolarHBondContact O-CB 3.32Å; E237-R241 PolarHBondContact O-N 2.87Å; R239-R241 VanDerWaalsContact C-N 3.28Å; R239-R241 PolarHBondContact O-N 2.83Å; R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.3Å; R241-Q244 PolarHBondContact O-N 2.85Å; R241-E245 VanDerWaalsContact O-CB 3.31Å; R241-E245 WeakPolarHBondContact O-CB 3.37Å; R241-E245 PolarHBondContact O-N 3.41Å
242K76.1Confident71.1Confident118 Ų118124.2 Ų124.251%0.51357%0.574SS.*Hα-helixtrans-65.6-32.3178.9-76.5-167.8173.478.40113.2E238 R239 K246E238-K242 PolarHBondContact O-N 2.59Å; E238-K242 VanDerWaalsContact O-N 3.13Å; E238-K242 IonicContact OE1-NZ 3.93Å; E238-K242 PolarHBondContact OE1-NZ 2.88Å; R239-K242 PolarHBondContact O-N 2.76Å; R239-K242 VanDerWaalsContact O-N 3.13Å; K242-K246 VanDerWaalsContact O-CB 3.22Å; K242-K246 WeakPolarHBondContact O-CB 2.94Å; K242-K246 PolarHBondContact O-N 2.87Å
243E77.2Confident72Confident130 Ų130120.1 Ų120.161%0.60757%0.565SS**Hα-helixtrans-77.4-31.7177.8-169.3154.8-164.700112.2R239 A240 R241 R247R239-E243 WeakPolarHBondContact O-CB 3.42Å; R239-E243 PolarHBondContact O-N 3.36Å; A240-E243 PolarHBondContact O-N 3.17Å; R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.3Å; E243-R247 WeakPolarHBondContact O-CB 3.36Å; E243-R247 PolarHBondContact O-N 3.16Å
244Q73.2Confident72.8Confident119 Ų119116.8 Ų116.856%0.55656%0.556SS**Hα-helixtrans-73.3-41.5169.1-175.5165.7-25.200112.4A240 R241 K246 R247 E248A240-Q244 WeakPolarHBondContact O-CB 3.36Å; A240-Q244 PolarHBondContact O-N 2.65Å; R241-Q244 PolarHBondContact O-N 2.85Å; Q244-K246 VanDerWaalsContact C-N 3.33Å; Q244-K246 PolarHBondContact O-N 3.35Å; Q244-R247 CarbonylContact O-C 3.59Å; Q244-R247 PolarHBondContact O-N 3.27Å; Q244-R247 VanDerWaalsContact O-N 3.11Å; Q244-E248 PolarHBondContact NE2-OE1 2.97Å; Q244-E248 PolarHBondContact O-N 3.16Å
245E79.6Confident73.1Confident137 Ų137120.2 Ų120.264%0.6456%0.559SS**Hα-helixtrans-60.7-43173.1-175.7172.2-146.200110.8R241 E248 E249R241-E245 VanDerWaalsContact O-CB 3.31Å; R241-E245 WeakPolarHBondContact O-CB 3.37Å; R241-E245 PolarHBondContact O-N 3.41Å; E245-E248 PolarHBondContact O-N 3.04Å; E245-E249 WeakPolarHBondContact O-CB 3.48Å; E245-E249 PolarHBondContact O-N 2.82Å
246K80.8Confident73Confident109 Ų109124.8 Ų124.847%0.47457%0.567SS.*Hα-helixtrans-59.6-44.6170.3-177.9-178.8178.9-690111.7K242 Q244 E249 E250K242-K246 VanDerWaalsContact O-CB 3.22Å; K242-K246 WeakPolarHBondContact O-CB 2.94Å; K242-K246 PolarHBondContact O-N 2.87Å; Q244-K246 VanDerWaalsContact C-N 3.33Å; Q244-K246 PolarHBondContact O-N 3.35Å; K246-E249 PolarHBondContact O-N 2.76Å; K246-E250 IonicContact NZ-OE1 2.56Å; K246-E250 PolarHBondContact NZ-OE1 2.91Å; K246-E250 IonicContact NZ-OE2 2.7Å; K246-E250 PolarHBondContact NZ-OE2 2.99Å; K246-E250 WeakPolarHBondContact O-CB 3.28Å; K246-E250 PolarHBondContact O-N 3.15Å
247R78.5Confident72.8Confident184 Ų184123 Ų12369%0.69456%0.561SS**Hα-helixtrans-63.2-41.8176.8-96.4-174.7171.9174.3-0.2112.6E243 Q244 E249 E250 E251E243-R247 WeakPolarHBondContact O-CB 3.36Å; E243-R247 PolarHBondContact O-N 3.16Å; Q244-R247 CarbonylContact O-C 3.59Å; Q244-R247 PolarHBondContact O-N 3.27Å; Q244-R247 VanDerWaalsContact O-N 3.11Å; R247-E249 VanDerWaalsContact C-N 3.34Å; R247-E250 PolarHBondContact O-N 2.99Å; R247-E251 VanDerWaalsContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CB 3.42Å; R247-E251 PolarHBondContact O-N 3.15Å
248E78Confident72.3Confident118 Ų118123.1 Ų123.155%0.55157%0.566SS**Hα-helixtrans-67.3-35.3176.8-73.6179.8-15500111.3Q244 E245 K252Q244-E248 PolarHBondContact NE2-OE1 2.97Å; Q244-E248 PolarHBondContact O-N 3.16Å; E245-E248 PolarHBondContact O-N 3.04Å; E248-K252 WeakPolarHBondContact O-CB 3.27Å; E248-K252 PolarHBondContact O-N 3.29Å
249E76.7Confident71.6Confident147 Ų147123.7 Ų123.769%0.68758%0.575SS**Hα-helixtrans-71.5-39.4172.7-172.2166-130.700112.7E245 K246 R247 K252 A253E245-E249 WeakPolarHBondContact O-CB 3.48Å; E245-E249 PolarHBondContact O-N 2.82Å; K246-E249 PolarHBondContact O-N 2.76Å; R247-E249 VanDerWaalsContact C-N 3.34Å; E249-K252 CarbonylContact O-C 3.52Å; E249-K252 PolarHBondContact O-N 3.07Å; E249-A253 WeakPolarHBondContact O-CB 3.42Å; E249-A253 PolarHBondContact O-N 2.88Å
250E76.3Confident70.4Confident108 Ų108120.9 Ų120.951%0.50557%0.57SS.*Hα-helixtrans-71.5-36.9179.2-163.8160.5-123.200111.4K246 R247 A253 A254K246-E250 IonicContact NZ-OE1 2.56Å; K246-E250 PolarHBondContact NZ-OE1 2.91Å; K246-E250 IonicContact NZ-OE2 2.7Å; K246-E250 PolarHBondContact NZ-OE2 2.99Å; K246-E250 WeakPolarHBondContact O-CB 3.28Å; K246-E250 PolarHBondContact O-N 3.15Å; R247-E250 PolarHBondContact O-N 2.99Å; E250-A253 PolarHBondContact O-N 2.89Å; E250-A254 PolarHBondContact O-N 3.38Å
251E75.9Confident69Low99 Ų99124.2 Ų124.246%0.46358%0.58SS.*Hα-helixtrans-68.8-37.5169-167.5-171.4144.200111.6R247 A253 A254 R255R247-E251 VanDerWaalsContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CB 3.42Å; R247-E251 PolarHBondContact O-N 3.15Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.44Å; E251-A254 PolarHBondContact O-N 3.32Å; E251-R255 WeakPolarHBondContact O-CB 3.47Å; E251-R255 VanDerWaalsContact O-CG 3.25Å; E251-R255 WeakPolarHBondContact O-CG 3.39Å; E251-R255 PolarHBondContact O-N 2.85Å; E251-R255 IonicContact OE1-CZ 3.39Å; E251-R255 IonicContact OE1-NE 3.62Å; E251-R255 PolarHBondContact OE1-NE 2.89Å; E251-R255 IonicContact OE1-NH2 2.66Å; E251-R255 PolarHBondContact OE1-NH2 2.83Å
252K75.6Confident67.8Low143 Ų143120 Ų12062%0.62257%0.57SS**Hα-helixtrans-74.4-20.5176.6-168.9175.8-167.6172.70112.9E248 E249 R256E248-K252 WeakPolarHBondContact O-CB 3.27Å; E248-K252 PolarHBondContact O-N 3.29Å; E249-K252 CarbonylContact O-C 3.52Å; E249-K252 PolarHBondContact O-N 3.07Å; K252-R256 WeakPolarHBondContact O-CG 3.28Å; K252-R256 PolarHBondContact O-N 3.14Å
253A71.7Confident66.4Low48 Ų48122.9 Ų122.940%0.39758%0.583SS.*Hα-helixtrans-76.6-45.4165.500000111.2E249 E250 E251 R255 R256 I257E249-A253 WeakPolarHBondContact O-CB 3.42Å; E249-A253 PolarHBondContact O-N 2.88Å; E250-A253 PolarHBondContact O-N 2.89Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.44Å; A253-R255 VanDerWaalsContact C-N 3.34Å; A253-R255 PolarHBondContact O-N 2.99Å; A253-R256 WeakPolarHBondContact O-CB 3.16Å; A253-R256 PolarHBondContact O-N 2.89Å; A253-I257 PolarHBondContact O-N 2.94Å; A253-I257 VanDerWaalsContact O-N 3.16Å
254A68.9Low65.1Low48 Ų48120.7 Ų120.740%0.39758%0.576SS.*Hα-helixtrans-57.7-45.1173.400000111.9E250 E251 R256 I257 D258E250-A254 PolarHBondContact O-N 3.38Å; E251-A254 PolarHBondContact O-N 3.32Å; A254-R256 PolarHBondContact O-N 3.42Å; A254-I257 PolarHBondContact O-N 2.71Å; A254-I257 VanDerWaalsContact O-N 3.14Å; A254-D258 PolarHBondContact O-N 2.61Å
255R63.9Low64.2Low163 Ų163119.6 Ų119.662%0.61559%0.587SS**Hα-helixtrans-68.2-5.6174-69.7171.3-179.9-100.79.5114.9E251 A253 V259E251-R255 WeakPolarHBondContact O-CB 3.47Å; E251-R255 VanDerWaalsContact O-CG 3.25Å; E251-R255 WeakPolarHBondContact O-CG 3.39Å; E251-R255 PolarHBondContact O-N 2.85Å; E251-R255 IonicContact OE1-CZ 3.39Å; E251-R255 IonicContact OE1-NE 3.62Å; E251-R255 PolarHBondContact OE1-NE 2.89Å; E251-R255 IonicContact OE1-NH2 2.66Å; E251-R255 PolarHBondContact OE1-NH2 2.83Å; A253-R255 VanDerWaalsContact C-N 3.34Å; A253-R255 PolarHBondContact O-N 2.99Å; R255-V259 VanDerWaalsContact O-CG2 3.29Å; R255-V259 WeakPolarHBondContact O-CG2 3.44Å
256R58.9Low63.1Low162 Ų162119.5 Ų119.561%0.61159%0.587SS**Hα-helixtrans-89.4-45.1165.7-79.7175.7173.8176.8-2.2110.8K252 A253 A254 D258 V259 E260K252-R256 WeakPolarHBondContact O-CG 3.28Å; K252-R256 PolarHBondContact O-N 3.14Å; A253-R256 WeakPolarHBondContact O-CB 3.16Å; A253-R256 PolarHBondContact O-N 2.89Å; A254-R256 PolarHBondContact O-N 3.42Å; R256-D258 PolarHBondContact O-N 2.83Å; R256-V259 PolarHBondContact O-N 2.85Å; R256-E260 WeakPolarHBondContact O-CB 3.26Å; R256-E260 WeakPolarHBondContact O-CG 3.43Å; R256-E260 PolarHBondContact O-N 2.93Å
257I58Low62.6Low103 Ų103118.6 Ų118.653%0.52858%0.584SS.*Hα-helixtrans-55.5-51.2174.9-61.9166.4000109.9A253 A254 V259 E260 D261A253-I257 PolarHBondContact O-N 2.94Å; A253-I257 VanDerWaalsContact O-N 3.16Å; A254-I257 PolarHBondContact O-N 2.71Å; A254-I257 VanDerWaalsContact O-N 3.14Å; I257-V259 PolarHBondContact O-N 3.04Å; I257-E260 PolarHBondContact O-N 3.09Å; I257-D261 WeakPolarHBondContact O-CB 3.48Å; I257-D261 PolarHBondContact O-N 3.35Å
258D52.3Low62.8Low136 Ų136116.1 Ų116.173%0.72758%0.579SS**Hα-helixtrans-62.2-7.9177.6-99.2-12.3000115.5A254 R256A254-D258 PolarHBondContact O-N 2.61Å; R256-D258 PolarHBondContact O-N 2.83Å
259V54.9Low63.3Low110 Ų110113.8 Ų113.867%0.66757%0.573SS**Hα-helixtrans-115.9-19.8-179.8177.40000112.2R255 R256 I257R255-V259 VanDerWaalsContact O-CG2 3.29Å; R255-V259 WeakPolarHBondContact O-CG2 3.44Å; R256-V259 PolarHBondContact O-N 2.85Å; I257-V259 PolarHBondContact O-N 3.04Å
260E47.8Very low64Low114 Ų114110.9 Ų110.953%0.53356%0.562SS.*Hα-helixtrans-92-33.5176.5-69.7168.2179.300111.4R256 I257 D262 F263 D264R256-E260 WeakPolarHBondContact O-CB 3.26Å; R256-E260 WeakPolarHBondContact O-CG 3.43Å; R256-E260 PolarHBondContact O-N 2.93Å; I257-E260 PolarHBondContact O-N 3.09Å; E260-D262 VanDerWaalsContact C-N 3.34Å; E260-D262 PolarHBondContact O-N 3.12Å; E260-F263 PolarHBondContact O-N 3.35Å; E260-D264 WeakPolarHBondContact O-CB 3.4Å; E260-D264 PolarHBondContact O-N 2.96Å
261D47Very low64.8Low129 Ų129107.9 Ų107.969%0.6955%0.549SS*.THydrogen-bonded Turntrans-65.1-23.1-174.2-105.1-17.5000115.8I257I257-D261 WeakPolarHBondContact O-CB 3.48Å; I257-D261 PolarHBondContact O-N 3.35Å
262D52.5Low65.6Low94 Ų94109.9 Ų109.950%0.50356%0.556SS.*THydrogen-bonded Turntrans-96.6-0-178-14550.7000114.7E260 K1630E260-D262 VanDerWaalsContact C-N 3.34Å; E260-D262 PolarHBondContact O-N 3.12Å; D262-K1630 IonicContact OD1-NZ 3.4Å; D262-K1630 PolarHBondContact OD1-NZ 3.02Å; D262-K1630 IonicContact OD2-NZ 3.78Å; D262-K1630 PolarHBondContact OD2-NZ 3.21Å
263F47.3Very low66.4Low179 Ų179103.3 Ų103.379%0.78553%0.528SS*.THydrogen-bonded Turntrans-133.5-18.8177.6-105.2-94000115.7E260 A265E260-F263 PolarHBondContact O-N 3.35Å; F263-A265 VanDerWaalsContact C-N 3.27Å; F263-A265 PolarHBondContact O-N 3.47Å
264D50Low67.3Low85 Ų85108.5 Ų108.546%0.45554%0.542SS..  trans-88.614.8179.8-132.5-47.9000114.5E260 Q266 K268E260-D264 WeakPolarHBondContact O-CB 3.4Å; E260-D264 PolarHBondContact O-N 2.96Å; D264-Q266 PolarHBondContact O-N 2.71Å; D264-K268 IonicContact OD1-NZ 2.69Å; D264-K268 PolarHBondContact OD1-NZ 3.22Å
265A53.3Low68.4Low95 Ų95110.9 Ų110.979%0.78555%0.548SS*.  trans-67.53315800000112.6F263 E267F263-A265 VanDerWaalsContact C-N 3.27Å; F263-A265 PolarHBondContact O-N 3.47Å; A265-E267 PolarHBondContact O-N 3.2Å; A265-E267 VanDerWaalsContact O-N 3.16Å
266Q56Low69.8Low136 Ų136104.6 Ų104.664%0.63653%0.534SS*.  trans-64.8112.4165.8-66.9-170.66.400107.9D264 K268D264-Q266 PolarHBondContact O-N 2.71Å; Q266-K268 VanDerWaalsContact C-N 3.29Å; Q266-K268 WeakPolarHBondContact O-CG 3.4Å; Q266-K268 PolarHBondContact O-N 2.76Å
267E70.5Confident71.6Confident90 Ų9099.7 Ų99.742%0.42152%0.515SS..  trans-58.387.3178.2-156171.4-128.900109.1A265 P269 F281 R295A265-E267 PolarHBondContact O-N 3.2Å; A265-E267 VanDerWaalsContact O-N 3.16Å; E267-P269 WeakPolarHBondContact O-CD 3.27Å; E267-F281 HydrophobicContact CB-CD1 4.14Å; E267-F281 HydrophobicContact CB-CE1 4.3Å; E267-F281 HydrophobicContact CG-CB 4.29Å; E267-F281 HydrophobicContact CG-CD1 3.71Å; E267-F281 HydrophobicContact CG-CE1 4.29Å; E267-F281 HydrophobicContact CG-CG 4.05Å; E267-F281 WeakPolarHBondContact O-CD1 3.36Å; E267-F281 WeakPolarHBondContact O-CE1 3.45Å; E267-R295 IonicContact OE1-CZ 3.59Å; E267-R295 VanDerWaalsContact OE1-CZ 3.27Å; E267-R295 IonicContact OE1-NH1 2.82Å; E267-R295 PolarHBondContact OE1-NH1 3.46Å; E267-R295 IonicContact OE1-NH2 3.77Å; E267-R295 PolarHBondContact OE1-NH2 3.2Å; E267-R295 IonicContact OE2-CZ 3.71Å; E267-R295 VanDerWaalsContact OE2-CZ 3.31Å; E267-R295 IonicContact OE2-NH1 2.98Å; E267-R295 IonicContact OE2-NH2 3.71Å; E267-R295 PolarHBondContact OE2-NH2 3.29Å
268K82.6Confident73.4Confident132 Ų13294.9 Ų94.957%0.57449%0.491SS*.  trans-71121.5-168-87.9150.9-175.2140.50109.7D264 Q266 I270D264-K268 IonicContact OD1-NZ 2.69Å; D264-K268 PolarHBondContact OD1-NZ 3.22Å; Q266-K268 VanDerWaalsContact C-N 3.29Å; Q266-K268 WeakPolarHBondContact O-CG 3.4Å; Q266-K268 PolarHBondContact O-N 2.76Å; K268-I270 PolarHBondContact O-N 2.69Å
269P89.6Confident75.5Confident68 Ų6890 Ų9044%0.44247%0.465SS..  trans-70.7126.1-174.928.5-35.2000110.8E267 L279 K280 F281E267-P269 WeakPolarHBondContact O-CD 3.27Å; P269-L279 HydrophobicContact CB-CB 3.96Å; P269-L279 HydrophobicContact CB-CD1 4.26Å; P269-L279 HydrophobicContact CB-CD2 4.19Å; P269-L279 HydrophobicContact CB-CG 4.36Å; P269-L279 HydrophobicContact CG-CD1 4.27Å; P269-L279 HydrophobicContact CG-CD2 4.37Å; P269-K280 CarbonylContact C-O 3.42Å; P269-K280 WeakPolarHBondContact CA-O 3.38Å; P269-F281 HydrophobicContact CB-CD1 4.41Å; P269-F281 HydrophobicContact CB-CE1 4.19Å
270I91.9Very high77.5Confident87 Ų8785.5 Ų85.545%0.44644%0.436SS..SBendtrans-85.3-23.3-174.552.9160.4000113.6K268 K280 D282K268-I270 PolarHBondContact O-N 2.69Å; I270-K280 HydrophobicContact CD1-CD 3.73Å; I270-K280 HydrophobicContact CD1-CG 4.09Å; I270-K280 HydrophobicContact CG1-CB 4.22Å; I270-K280 HydrophobicContact CG1-CD 3.93Å; I270-K280 HydrophobicContact CG1-CG 3.97Å; I270-K280 WeakPolarHBondContact CG1-O 3.32Å; I270-K280 PolarHBondContact N-O 3.2Å; I270-D282 HydrophobicContact CD1-CB 3.89Å; I270-D282 HydrophobicContact CG1-CB 4.49Å; I270-D282 HydrophobicContact CG2-CB 4.1Å
271D91.3Very high79.8Confident45 Ų4580.8 Ų80.824%0.24141%0.414CS..EExtended strand (participates in β ladder)trans-148.5164.2173.6-162.24.4000109.7K280 W307 Y356D271-K280 HydrophobicContact CB-CB 3.94Å; D271-K280 HydrophobicContact CB-CD 3.91Å; D271-K280 PolarHBondContact O-N 3.33Å; D271-W307 HydrophobicContact CB-CH2 4.15Å; D271-W307 HydrophobicContact CB-CZ2 3.94Å; D271-Y356 PolarHBondContact OD2-OH 3.35Å; D271-Y356 VanDerWaalsContact OD2-OH 3.05Å
272K93.3Very high81.9Confident141 Ų14180.9 Ų80.961%0.61341%0.414SS*.EExtended strand (participates in β ladder)trans-145.714417864.5-174.4177.9-176.50112.1F278 L279K272-F278 WeakPolarHBondContact CA-O 3.29Å; K272-L279 HydrophobicContact CB-CD2 3.82Å
273S93.5Very high83.9Confident4 Ų480.1 Ų80.13%0.02841%0.408CS..  trans-52.8156.4170.355.30000113N275 G276 R277 F278S273-N275 VanDerWaalsContact C-N 3.26Å; S273-N275 WeakPolarHBondContact CB-OD1 3.47Å; S273-N275 PolarHBondContact O-N 2.86Å; S273-N275 PolarHBondContact OG-OD1 3.13Å; S273-G276 WeakPolarHBondContact O-CA 3.49Å; S273-G276 PolarHBondContact O-N 3.19Å; S273-G276 PolarHBondContact OG-N 2.84Å; S273-R277 PolarHBondContact OG-N 2.77Å; S273-F278 WeakPolarHBondContact CB-O 3.25Å; S273-F278 PolarHBondContact N-O 2.97Å; S273-F278 PolarHBondContact OG-N 2.91Å; S273-F278 PolarHBondContact OG-O 3.35Å
274K89.9Confident86.1Confident158 Ų15875.9 Ų75.969%0.68739%0.39SS*.THydrogen-bonded Turntrans-63.5-28.4-175.4-64.2178.8-177.8173.90114.1W345 E346K274-W345 HydrophobicContact CD-CB 4.19Å; K274-W345 HydrophobicContact CD-CG 4.33Å; K274-W345 HydrophobicContact CG-CG 4.39Å; K274-E346 WeakPolarHBondContact CE-O 3.42Å; K274-E346 PolarHBondContact NZ-O 2.88Å
275N91.4Very high88Confident98 Ų9875.2 Ų75.252%0.52439%0.386SS..THydrogen-bonded Turntrans-90.5-5.5173.454.86.7000112.8S273 R277S273-N275 VanDerWaalsContact C-N 3.26Å; S273-N275 WeakPolarHBondContact CB-OD1 3.47Å; S273-N275 PolarHBondContact O-N 2.86Å; S273-N275 PolarHBondContact OG-OD1 3.13Å; N275-R277 PolarHBondContact O-N 2.74Å; N275-R277 WeakPolarHBondContact OD1-CB 3.27Å; N275-R277 PolarHBondContact OD1-N 3.26Å
276G92.8Very high89.5Confident31 Ų3172.1 Ų72.132%0.3236%0.364SS..SBendtrans78.2-3.9-177.100000115.2S273S273-G276 WeakPolarHBondContact O-CA 3.49Å; S273-G276 PolarHBondContact O-N 3.19Å; S273-G276 PolarHBondContact OG-N 2.84Å
277R96.6Very high90.8Very high58 Ų5873.5 Ų73.522%0.21936%0.363CS..  trans-61.8-55.2-176.3176.3-179.6176146.92.9112.3S273 N275 D298 T299 E300S273-R277 PolarHBondContact OG-N 2.77Å; N275-R277 PolarHBondContact O-N 2.74Å; N275-R277 WeakPolarHBondContact OD1-CB 3.27Å; N275-R277 PolarHBondContact OD1-N 3.26Å; R277-D298 WeakPolarHBondContact CG-OD1 3.33Å; R277-D298 IonicContact CZ-OD1 3.56Å; R277-D298 IonicContact CZ-OD2 2.91Å; R277-D298 IonicContact NE-OD1 3.09Å; R277-D298 PolarHBondContact NE-OD1 2.66Å; R277-D298 IonicContact NE-OD2 3.91Å; R277-D298 PolarHBondContact NE-OD2 3.44Å; R277-D298 IonicContact NH2-OD1 3.95Å; R277-D298 IonicContact NH2-OD2 2.73Å; R277-D298 PolarHBondContact NH2-OD2 2.78Å; R277-T299 WeakPolarHBondContact O-CB 3.44Å; R277-T299 WeakPolarHBondContact O-CG2 3.37Å; R277-T299 PolarHBondContact O-N 3.42Å; R277-T299 PolarHBondContact O-OG1 2.9Å; R277-E300 VanDerWaalsContact CD-OE1 3.32Å; R277-E300 WeakPolarHBondContact CD-OE1 3.41Å; R277-E300 HydrophobicContact CG-CB 4.5Å; R277-E300 HydrophobicContact CG-CG 4.01Å; R277-E300 IonicContact CZ-OE2 3.56Å; R277-E300 IonicContact NE-OE1 2.74Å; R277-E300 IonicContact NE-OE2 3.01Å; R277-E300 IonicContact NH1-OE1 2.95Å; R277-E300 IonicContact NH1-OE2 2.68Å; R277-E300 PolarHBondContact NH1-OE2 3.1Å; R277-E300 IonicContact NH2-OE2 2.66Å
278F97.6Very high90.8Very high3 Ų371.3 Ų71.31%0.01336%0.364CS..EExtended strand (participates in β ladder)trans-93.5136.2179.1-49.3-71.9000111.2K272 S273 L297 D298 V305 W307 D343 W345 V360K272-F278 WeakPolarHBondContact CA-O 3.29Å; S273-F278 WeakPolarHBondContact CB-O 3.25Å; S273-F278 PolarHBondContact N-O 2.97Å; S273-F278 PolarHBondContact OG-N 2.91Å; S273-F278 PolarHBondContact OG-O 3.35Å; F278-L297 WeakPolarHBondContact CA-O 3.45Å; F278-D298 HydrophobicContact CD1-CB 3.85Å; F278-D298 HydrophobicContact CE1-CB 3.83Å; F278-V305 HydrophobicContact CD1-CG2 4.27Å; F278-W307 HydrophobicContact CB-CE3 4.4Å; F278-W307 HydrophobicContact CB-CZ3 4.21Å; F278-D343 HydrophobicContact CE2-CB 3.75Å; F278-D343 HydrophobicContact CZ-CB 4.43Å; F278-W345 HydrophobicContact CB-CH2 4.29Å; F278-W345 HydrophobicContact CD2-CH2 4.04Å; F278-W345 AromaticContact CD2-CZ3 3.9Å; F278-W345 HydrophobicContact CD2-CZ3 3.9Å; F278-W345 HydrophobicContact CE2-CZ3 4.5Å; F278-V360 HydrophobicContact CB-CG2 4.3Å; F278-V360 HydrophobicContact CD1-CG1 3.74Å; F278-V360 HydrophobicContact CD2-CB 4.43Å; F278-V360 HydrophobicContact CD2-CG1 4.44Å; F278-V360 HydrophobicContact CD2-CG2 3.98Å; F278-V360 HydrophobicContact CE1-CG1 3.95Å; F278-V360 HydrophobicContact CE2-CG2 4.48Å; F278-V360 HydrophobicContact CG-CB 4.43Å; F278-V360 HydrophobicContact CG-CG1 3.99Å; F278-V360 HydrophobicContact CG-CG2 4.04Å; F278-V360 HydrophobicContact CZ-CG1 4.39Å
279L96.4Very high89.8Confident34 Ų3469.4 Ų69.418%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-110.9149172.6-59.9177.2000110.4P269 K272 F281 G296 L297 T299P269-L279 HydrophobicContact CB-CB 3.96Å; P269-L279 HydrophobicContact CB-CD1 4.26Å; P269-L279 HydrophobicContact CB-CD2 4.19Å; P269-L279 HydrophobicContact CB-CG 4.36Å; P269-L279 HydrophobicContact CG-CD1 4.27Å; P269-L279 HydrophobicContact CG-CD2 4.37Å; K272-L279 HydrophobicContact CB-CD2 3.82Å; L279-F281 HydrophobicContact CB-CZ 4.46Å; L279-G296 CarbonylContact O-C 3.1Å; L279-G296 WeakPolarHBondContact O-CA 3.47Å; L279-L297 PolarHBondContact N-O 3.41Å; L279-L297 PolarHBondContact O-N 3.1Å; L279-T299 HydrophobicContact CD1-CG2 3.56Å; L279-T299 HydrophobicContact CG-CG2 3.74Å
280K96.2Very high88.7Confident15 Ų1569.6 Ų69.67%0.06536%0.362CS..EExtended strand (participates in β ladder)trans-108.5138174-172.2-168.2-177.5179.80110.6P269 I270 D271 F294 W307 E309P269-K280 CarbonylContact C-O 3.42Å; P269-K280 WeakPolarHBondContact CA-O 3.38Å; I270-K280 HydrophobicContact CD1-CD 3.73Å; I270-K280 HydrophobicContact CD1-CG 4.09Å; I270-K280 HydrophobicContact CG1-CB 4.22Å; I270-K280 HydrophobicContact CG1-CD 3.93Å; I270-K280 HydrophobicContact CG1-CG 3.97Å; I270-K280 WeakPolarHBondContact CG1-O 3.32Å; I270-K280 PolarHBondContact N-O 3.2Å; D271-K280 HydrophobicContact CB-CB 3.94Å; D271-K280 HydrophobicContact CB-CD 3.91Å; D271-K280 PolarHBondContact O-N 3.33Å; K280-F294 HydrophobicContact CD-CG 4.49Å; K280-F294 HydrophobicContact CG-CB 4.16Å; K280-F294 VanDerWaalsContact NZ-CE2 3.31Å; K280-W307 HydrophobicContact CB-CD2 3.73Å; K280-W307 HydrophobicContact CB-CE3 3.84Å; K280-W307 HydrophobicContact CB-CG 4.28Å; K280-W307 HydrophobicContact CB-CH2 3.94Å; K280-W307 HydrophobicContact CB-CZ2 3.88Å; K280-W307 HydrophobicContact CB-CZ3 3.94Å; K280-W307 HydrophobicContact CD-CD2 4.34Å; K280-W307 HydrophobicContact CD-CG 4.42Å; K280-W307 HydrophobicContact CD-CZ2 4.12Å; K280-W307 HydrophobicContact CG-CD2 3.93Å; K280-W307 HydrophobicContact CG-CG 3.98Å; K280-W307 HydrophobicContact CG-CZ2 4.36Å; K280-E309 WeakPolarHBondContact CE-OE1 3.16Å; K280-E309 IonicContact NZ-OE1 3.14Å; K280-E309 PolarHBondContact NZ-OE1 2.88Å; K280-E309 IonicContact NZ-OE2 2.63Å; K280-E309 PolarHBondContact NZ-OE2 2.94Å
281F95Very high88.2Confident15 Ų1567.9 Ų67.97%0.06635%0.351CS..EExtended strand (participates in β ladder)trans-111.8162.8169-49.9-75.2000111E267 P269 L279 E283 R295 L297E267-F281 HydrophobicContact CB-CD1 4.14Å; E267-F281 HydrophobicContact CB-CE1 4.3Å; E267-F281 HydrophobicContact CG-CB 4.29Å; E267-F281 HydrophobicContact CG-CD1 3.71Å; E267-F281 HydrophobicContact CG-CE1 4.29Å; E267-F281 HydrophobicContact CG-CG 4.05Å; E267-F281 WeakPolarHBondContact O-CD1 3.36Å; E267-F281 WeakPolarHBondContact O-CE1 3.45Å; P269-F281 HydrophobicContact CB-CD1 4.41Å; P269-F281 HydrophobicContact CB-CE1 4.19Å; L279-F281 HydrophobicContact CB-CZ 4.46Å; F281-E283 PolarHBondContact O-N 2.77Å; F281-R295 HydrophobicContact CD2-CG 4.4Å; F281-R295 PolarHBondContact N-O 2.76Å; F281-L297 HydrophobicContact CE2-CB 3.62Å; F281-L297 HydrophobicContact CZ-CB 3.78Å; F281-L297 HydrophobicContact CZ-CD2 4.38Å
282D92.3Very high87.9Confident131 Ų13166.3 Ų66.370%0.70134%0.343SS*.EExtended strand (participates in β ladder)trans-83.938.8-177.9-149.121000113.1I270I270-D282 HydrophobicContact CD1-CB 3.89Å; I270-D282 HydrophobicContact CG1-CB 4.49Å; I270-D282 HydrophobicContact CG2-CB 4.1Å
283E93.4Very high87.8Confident78 Ų7860.5 Ų60.536%0.36432%0.319SS..EExtended strand (participates in β ladder)trans-106.999.7174.3-172-175.1153.200108.8F281 L285 F294 R295F281-E283 PolarHBondContact O-N 2.77Å; E283-L285 HydrophobicContact CG-CD2 4.28Å; E283-L285 PolarHBondContact O-N 3.45Å; E283-L285 WeakPolarHBondContact OE1-CD2 3.41Å; E283-F294 CarbonylContact O-C 3.59Å; E283-F294 VanDerWaalsContact O-CA 3.25Å; E283-F294 WeakPolarHBondContact O-CA 3.44Å; E283-R295 HydrophobicContact CB-CB 4.02Å; E283-R295 PolarHBondContact O-N 3.45Å; E283-R295 WeakPolarHBondContact OE2-CD 3.37Å; E283-R295 IonicContact OE2-CZ 3.61Å; E283-R295 IonicContact OE2-NE 2.71Å; E283-R295 IonicContact OE2-NH1 2.67Å; E283-R295 PolarHBondContact OE2-NH1 2.78Å
284E93.7Very high87.8Confident90 Ų9061.3 Ų61.342%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-71.8105.1173.1-169179.9111.400109.2R287 T292 V293 F294E284-R287 WeakPolarHBondContact OE1-CB 3.32Å; E284-R287 WeakPolarHBondContact OE1-CD 3.38Å; E284-R287 IonicContact OE1-NH1 3.2Å; E284-R287 WeakPolarHBondContact OE2-CD 3.38Å; E284-R287 IonicContact OE2-NH1 3.89Å; E284-R287 PolarHBondContact OE2-NH1 3.12Å; E284-R287 VanDerWaalsContact OE2-NH1 3.09Å; E284-T292 HydrophobicContact CG-CG2 3.63Å; E284-T292 WeakPolarHBondContact OE2-CG2 3.42Å; E284-V293 CarbonylContact C-O 3.21Å; E284-F294 HydrophobicContact CB-CD1 4.43Å; E284-F294 HydrophobicContact CB-CE1 4.29Å
285L90.2Very high88.1Confident71 Ų7157.2 Ų57.237%0.37230%0.303SS..EExtended strand (participates in β ladder)trans-77.6-21.9179.5-65174.9000112.9E283 V293 R295 L363E283-L285 HydrophobicContact CG-CD2 4.28Å; E283-L285 PolarHBondContact O-N 3.45Å; E283-L285 WeakPolarHBondContact OE1-CD2 3.41Å; L285-V293 HydrophobicContact CB-CG1 4.29Å; L285-V293 HydrophobicContact CD1-CG1 4.38Å; L285-V293 PolarHBondContact N-O 2.83Å; L285-R295 HydrophobicContact CD1-CB 4Å; L285-R295 HydrophobicContact CD2-CB 4.27Å; L285-R295 HydrophobicContact CG-CB 4.13Å; L285-L363 HydrophobicContact CD1-CD1 3.45Å; L285-L363 VanDerWaalsContact CD1-CD1 3.45Å
286G84.8Confident88.4Confident30 Ų3052.5 Ų52.531%0.30928%0.278SS..EExtended strand (participates in β ladder)trans167.9159.4178.100000113.2V293G286-V293 PolarHBondContact N-O 2.93Å; G286-V293 PolarHBondContact O-N 2.79Å
287R83.6Confident88.6Confident165 Ų16553.5 Ų53.562%0.62328%0.275SS*.EExtended strand (participates in β ladder)trans-146.8133.4-169-178.5165.7171.5174.3-7.6112.3E284 T292E284-R287 WeakPolarHBondContact OE1-CB 3.32Å; E284-R287 WeakPolarHBondContact OE1-CD 3.38Å; E284-R287 IonicContact OE1-NH1 3.2Å; E284-R287 WeakPolarHBondContact OE2-CD 3.38Å; E284-R287 IonicContact OE2-NH1 3.89Å; E284-R287 PolarHBondContact OE2-NH1 3.12Å; E284-R287 VanDerWaalsContact OE2-NH1 3.09Å; R287-T292 HydrophobicContact CB-CG2 4.46Å; R287-T292 HydrophobicContact CG-CG2 4.45Å
288G70.1Confident88.6Confident43 Ų4350.8 Ų50.844%0.44327%0.265SS..  trans-119.1-170.817700000112.5F290 K291G288-F290 VanDerWaalsContact C-N 3.27Å; G288-F290 PolarHBondContact O-N 2.88Å; G288-K291 PolarHBondContact N-O 2.95Å
289S61.5Low88.5Confident93 Ų9354.1 Ų54.165%0.6529%0.286SS*.SBendtrans-70.7-16.6-178.345.10000115.1K314S289-K314 PolarHBondContact O-NZ 2.89Å
290F67.3Low88.5Confident71 Ų7158.6 Ų58.631%0.31131%0.306SS..SBendtrans-135.3-21-178.6-57.5-85.7000114.4G288 Q311 K314 I444G288-F290 VanDerWaalsContact C-N 3.27Å; G288-F290 PolarHBondContact O-N 2.88Å; F290-Q311 PolarHBondContact O-N 3.43Å; F290-K314 HydrophobicContact CD1-CD 3.76Å; F290-K314 HydrophobicContact CE1-CD 3.54Å; F290-I444 HydrophobicContact CE2-CD1 4.46Å; F290-I444 HydrophobicContact CZ-CD1 4.28Å
291K80.2Confident88.4Confident52 Ų5261.7 Ų61.723%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-119.9144.4-178.383.5-177.8-169.4-176.20112.1G288 V293 E309 L310 D428G288-K291 PolarHBondContact N-O 2.95Å; K291-V293 HydrophobicContact CD-CG2 4.08Å; K291-V293 HydrophobicContact CG-CG2 4.25Å; K291-E309 WeakPolarHBondContact CA-O 3.45Å; K291-L310 HydrophobicContact CB-CD2 3.69Å; K291-D428 IonicContact NZ-OD1 3.74Å; K291-D428 PolarHBondContact NZ-OD1 2.55Å; K291-D428 IonicContact NZ-OD2 2.72Å; K291-D428 PolarHBondContact NZ-OD2 3.3Å
292T86.4Confident88.4Confident12 Ų1263.7 Ų63.77%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-116138.1157.5-57.10000108.6E284 R287 F294 C308 E309E284-T292 HydrophobicContact CG-CG2 3.63Å; E284-T292 WeakPolarHBondContact OE2-CG2 3.42Å; R287-T292 HydrophobicContact CB-CG2 4.46Å; R287-T292 HydrophobicContact CG-CG2 4.45Å; T292-F294 HydrophobicContact CG2-CD2 4.04Å; T292-F294 HydrophobicContact CG2-CE1 4.42Å; T292-F294 HydrophobicContact CG2-CE2 3.38Å; T292-F294 HydrophobicContact CG2-CZ 3.61Å; T292-C308 CarbonylContact O-C 3.43Å; T292-C308 WeakPolarHBondContact O-CA 3.37Å; T292-E309 PolarHBondContact N-O 3.48Å; T292-E309 PolarHBondContact O-N 3.09Å
293V90.4Very high88.5Confident19 Ų1960.9 Ų60.912%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-113.2126.5-179.4-1720000108.9E284 L285 G286 K291 A306 W307E284-V293 CarbonylContact C-O 3.21Å; L285-V293 HydrophobicContact CB-CG1 4.29Å; L285-V293 HydrophobicContact CD1-CG1 4.38Å; L285-V293 PolarHBondContact N-O 2.83Å; G286-V293 PolarHBondContact N-O 2.93Å; G286-V293 PolarHBondContact O-N 2.79Å; K291-V293 HydrophobicContact CD-CG2 4.08Å; K291-V293 HydrophobicContact CG-CG2 4.25Å; V293-A306 HydrophobicContact CG1-CB 4.02Å; V293-W307 WeakPolarHBondContact CA-O 3.33Å
294F94.9Very high88.6Confident20 Ų2059.1 Ų59.19%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-116.1157.9177.1-63.7-93.7000110.5K280 E283 E284 T292 W307 E309K280-F294 HydrophobicContact CD-CG 4.49Å; K280-F294 HydrophobicContact CG-CB 4.16Å; K280-F294 VanDerWaalsContact NZ-CE2 3.31Å; E283-F294 CarbonylContact O-C 3.59Å; E283-F294 VanDerWaalsContact O-CA 3.25Å; E283-F294 WeakPolarHBondContact O-CA 3.44Å; E284-F294 HydrophobicContact CB-CD1 4.43Å; E284-F294 HydrophobicContact CB-CE1 4.29Å; T292-F294 HydrophobicContact CG2-CD2 4.04Å; T292-F294 HydrophobicContact CG2-CE1 4.42Å; T292-F294 HydrophobicContact CG2-CE2 3.38Å; T292-F294 HydrophobicContact CG2-CZ 3.61Å; F294-W307 HydrophobicContact CB-CB 4.34Å; F294-W307 PolarHBondContact N-O 3.35Å; F294-W307 PolarHBondContact O-N 3.44Å; F294-E309 HydrophobicContact CD2-CG 4.39Å; F294-E309 HydrophobicContact CE2-CG 4.38Å; F294-E309 WeakPolarHBondContact CE2-OE2 3.43Å
295R96.2Very high88.7Confident72 Ų7254.9 Ų54.927%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-73.5140.9166.9-171.8177.8154.7-148-16110.2E267 F281 E283 L285 L363E267-R295 IonicContact OE1-CZ 3.59Å; E267-R295 VanDerWaalsContact OE1-CZ 3.27Å; E267-R295 IonicContact OE1-NH1 2.82Å; E267-R295 PolarHBondContact OE1-NH1 3.46Å; E267-R295 IonicContact OE1-NH2 3.77Å; E267-R295 PolarHBondContact OE1-NH2 3.2Å; E267-R295 IonicContact OE2-CZ 3.71Å; E267-R295 VanDerWaalsContact OE2-CZ 3.31Å; E267-R295 IonicContact OE2-NH1 2.98Å; E267-R295 IonicContact OE2-NH2 3.71Å; E267-R295 PolarHBondContact OE2-NH2 3.29Å; F281-R295 HydrophobicContact CD2-CG 4.4Å; F281-R295 PolarHBondContact N-O 2.76Å; E283-R295 HydrophobicContact CB-CB 4.02Å; E283-R295 PolarHBondContact O-N 3.45Å; E283-R295 WeakPolarHBondContact OE2-CD 3.37Å; E283-R295 IonicContact OE2-CZ 3.61Å; E283-R295 IonicContact OE2-NE 2.71Å; E283-R295 IonicContact OE2-NH1 2.67Å; E283-R295 PolarHBondContact OE2-NH1 2.78Å; L285-R295 HydrophobicContact CD1-CB 4Å; L285-R295 HydrophobicContact CD2-CB 4.27Å; L285-R295 HydrophobicContact CG-CB 4.13Å; R295-L363 HydrophobicContact CG-CD2 4.44Å
296G96.2Very high89Confident0 Ų051.9 Ų51.90%030%0.303CS..EExtended strand (participates in β ladder)trans-139.4177.4172.300000112.5L279 A304 V305L279-G296 CarbonylContact O-C 3.1Å; L279-G296 WeakPolarHBondContact O-CA 3.47Å; G296-A304 WeakPolarHBondContact O-CA 3.42Å; G296-V305 PolarHBondContact N-O 3.19Å; G296-V305 PolarHBondContact O-N 2.73Å
297L97Very high89.4Confident52 Ų5250.4 Ų50.427%0.27229%0.288SS..EExtended strand (participates in β ladder)trans-132.2133.1176.7177.168.8000109.8F278 L279 F281 G302F278-L297 WeakPolarHBondContact CA-O 3.45Å; L279-L297 PolarHBondContact N-O 3.41Å; L279-L297 PolarHBondContact O-N 3.1Å; F281-L297 HydrophobicContact CE2-CB 3.62Å; F281-L297 HydrophobicContact CZ-CB 3.78Å; F281-L297 HydrophobicContact CZ-CD2 4.38Å; L297-G302 WeakPolarHBondContact CD1-O 3.45Å
298D97.3Very high89.8Confident1 Ų143.3 Ų43.31%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-84.2110.5164.5178.412.6000109.6R277 F278 E300 T301 G302 V303 V305R277-D298 WeakPolarHBondContact CG-OD1 3.33Å; R277-D298 IonicContact CZ-OD1 3.56Å; R277-D298 IonicContact CZ-OD2 2.91Å; R277-D298 IonicContact NE-OD1 3.09Å; R277-D298 PolarHBondContact NE-OD1 2.66Å; R277-D298 IonicContact NE-OD2 3.91Å; R277-D298 PolarHBondContact NE-OD2 3.44Å; R277-D298 IonicContact NH2-OD1 3.95Å; R277-D298 IonicContact NH2-OD2 2.73Å; R277-D298 PolarHBondContact NH2-OD2 2.78Å; F278-D298 HydrophobicContact CD1-CB 3.85Å; F278-D298 HydrophobicContact CE1-CB 3.83Å; D298-E300 VanDerWaalsContact C-N 3.28Å; D298-E300 PolarHBondContact O-N 2.8Å; D298-E300 PolarHBondContact OD1-N 3.15Å; D298-T301 WeakPolarHBondContact CB-OG1 3.44Å; D298-T301 PolarHBondContact O-N 3.02Å; D298-T301 VanDerWaalsContact OD2-CG2 3.26Å; D298-T301 WeakPolarHBondContact OD2-CG2 3.49Å; D298-T301 PolarHBondContact OD2-OG1 2.91Å; D298-G302 WeakPolarHBondContact O-CA 3.28Å; D298-G302 PolarHBondContact O-N 2.81Å; D298-V303 PolarHBondContact N-O 3.4Å; D298-V305 HydrophobicContact CB-CG1 4.04Å
299T95.8Very high90.6Very high73 Ų7342.6 Ų42.645%0.44825%0.249SC..THydrogen-bonded Turntrans-73.7-16.2-176.5600000113.9R277 L279R277-T299 WeakPolarHBondContact O-CB 3.44Å; R277-T299 WeakPolarHBondContact O-CG2 3.37Å; R277-T299 PolarHBondContact O-N 3.42Å; R277-T299 PolarHBondContact O-OG1 2.9Å; L279-T299 HydrophobicContact CD1-CG2 3.56Å; L279-T299 HydrophobicContact CG-CG2 3.74Å
300E95.7Very high91.5Very high128 Ų12838.8 Ų38.860%0.59822%0.221SC*.THydrogen-bonded Turntrans-77.5-33.4174.1-74.5175.1-156.100112.2R277 D298R277-E300 VanDerWaalsContact CD-OE1 3.32Å; R277-E300 WeakPolarHBondContact CD-OE1 3.41Å; R277-E300 HydrophobicContact CG-CB 4.5Å; R277-E300 HydrophobicContact CG-CG 4.01Å; R277-E300 IonicContact CZ-OE2 3.56Å; R277-E300 IonicContact NE-OE1 2.74Å; R277-E300 IonicContact NE-OE2 3.01Å; R277-E300 IonicContact NH1-OE1 2.95Å; R277-E300 IonicContact NH1-OE2 2.68Å; R277-E300 PolarHBondContact NH1-OE2 3.1Å; R277-E300 IonicContact NH2-OE2 2.66Å; D298-E300 VanDerWaalsContact C-N 3.28Å; D298-E300 PolarHBondContact O-N 2.8Å; D298-E300 PolarHBondContact OD1-N 3.15Å
301T95.1Very high91.8Very high79 Ų7939.9 Ų39.949%0.48523%0.227SC..THydrogen-bonded Turntrans-110.9-16.5-174.261.50000114D298 V303D298-T301 WeakPolarHBondContact CB-OG1 3.44Å; D298-T301 PolarHBondContact O-N 3.02Å; D298-T301 VanDerWaalsContact OD2-CG2 3.26Å; D298-T301 WeakPolarHBondContact OD2-CG2 3.49Å; D298-T301 PolarHBondContact OD2-OG1 2.91Å; T301-V303 PolarHBondContact O-N 2.94Å; T301-V303 WeakPolarHBondContact OG1-CB 3.22Å; T301-V303 PolarHBondContact OG1-N 3.35Å
302G93.8Very high91Very high58 Ų5838.5 Ų38.560%0.59822%0.221SC*.THydrogen-bonded Turntrans72.29.6-171.400000113.9L297 D298L297-G302 WeakPolarHBondContact CD1-O 3.45Å; D298-G302 WeakPolarHBondContact O-CA 3.28Å; D298-G302 PolarHBondContact O-N 2.81Å
303V95.1Very high89.8Confident72 Ų7242.6 Ų42.644%0.43625%0.25SS..EExtended strand (participates in β ladder)trans-91.7135.4-1751800000110.9D298 T301D298-V303 PolarHBondContact N-O 3.4Å; T301-V303 PolarHBondContact O-N 2.94Å; T301-V303 WeakPolarHBondContact OG1-CB 3.22Å; T301-V303 PolarHBondContact OG1-N 3.35Å
304A95.7Very high88.4Confident41 Ų4147.9 Ų47.934%0.33927%0.272SS..EExtended strand (participates in β ladder)trans-69.4136.5173.800000111.2G296 L363G296-A304 WeakPolarHBondContact O-CA 3.42Å; A304-L363 HydrophobicContact CB-CD2 3.74Å; A304-L363 WeakPolarHBondContact O-CB 3.3Å
305V96.2Very high86.8Confident0 Ų049.1 Ų49.10%028%0.279CS..EExtended strand (participates in β ladder)trans-126.6158.4-175.3-64.60000111F278 G296 D298 Y342 V360 T361F278-V305 HydrophobicContact CD1-CG2 4.27Å; G296-V305 PolarHBondContact N-O 3.19Å; G296-V305 PolarHBondContact O-N 2.73Å; D298-V305 HydrophobicContact CB-CG1 4.04Å; V305-Y342 HydrophobicContact CG1-CD2 4.05Å; V305-Y342 HydrophobicContact CG1-CE2 3.74Å; V305-V360 HydrophobicContact CB-CG1 3.7Å; V305-V360 HydrophobicContact CG1-CG1 4.2Å; V305-V360 HydrophobicContact CG2-CG1 3.61Å; V305-T361 WeakPolarHBondContact CB-O 3.12Å
306A95.4Very high85.5Confident8 Ų851.1 Ų51.17%0.06630%0.295CS..EExtended strand (participates in β ladder)trans-91.4121.5169.900000109.3V293 V360 T361 L363V293-A306 HydrophobicContact CG1-CB 4.02Å; A306-V360 WeakPolarHBondContact O-CA 2.74Å; A306-T361 PolarHBondContact N-O 3.15Å; A306-T361 PolarHBondContact O-N 2.78Å; A306-L363 HydrophobicContact CB-CD1 4.21Å
307W94.4Very high84.5Confident0 Ų059.7 Ų59.70%033%0.333CS..EExtended strand (participates in β ladder)trans-100105.2177.1177.5-68.4000108.5D271 F278 K280 V293 F294 E309 W345 V358D271-W307 HydrophobicContact CB-CH2 4.15Å; D271-W307 HydrophobicContact CB-CZ2 3.94Å; F278-W307 HydrophobicContact CB-CE3 4.4Å; F278-W307 HydrophobicContact CB-CZ3 4.21Å; K280-W307 HydrophobicContact CB-CD2 3.73Å; K280-W307 HydrophobicContact CB-CE3 3.84Å; K280-W307 HydrophobicContact CB-CG 4.28Å; K280-W307 HydrophobicContact CB-CH2 3.94Å; K280-W307 HydrophobicContact CB-CZ2 3.88Å; K280-W307 HydrophobicContact CB-CZ3 3.94Å; K280-W307 HydrophobicContact CD-CD2 4.34Å; K280-W307 HydrophobicContact CD-CG 4.42Å; K280-W307 HydrophobicContact CD-CZ2 4.12Å; K280-W307 HydrophobicContact CG-CD2 3.93Å; K280-W307 HydrophobicContact CG-CG 3.98Å; K280-W307 HydrophobicContact CG-CZ2 4.36Å; V293-W307 WeakPolarHBondContact CA-O 3.33Å; F294-W307 HydrophobicContact CB-CB 4.34Å; F294-W307 PolarHBondContact N-O 3.35Å; F294-W307 PolarHBondContact O-N 3.44Å; W307-E309 PolarHBondContact NE1-OE1 3.38Å; W307-W345 HydrophobicContact CE3-CH2 4.36Å; W307-W345 HydrophobicContact CE3-CZ2 4.32Å; W307-W345 HydrophobicContact CH2-CH2 4.32Å; W307-W345 AromaticContact CH2-CZ2 3.59Å; W307-W345 HydrophobicContact CH2-CZ2 3.59Å; W307-W345 HydrophobicContact CZ2-CZ2 4.02Å; W307-W345 AromaticContact CZ3-CH2 4Å; W307-W345 HydrophobicContact CZ3-CH2 4Å; W307-W345 AromaticContact CZ3-CZ2 3.74Å; W307-W345 HydrophobicContact CZ3-CZ2 3.74Å; W307-V358 HydrophobicContact CD2-CG1 3.78Å; W307-V358 HydrophobicContact CE3-CG1 4.38Å; W307-V358 HydrophobicContact CG-CG1 4.1Å; W307-V358 HydrophobicContact CZ2-CG1 4.02Å; W307-V358 HydrophobicContact CZ2-CG2 4.17Å
308C91.4Very high83.1Confident16 Ų1662.1 Ų62.111%0.10835%0.349CS..EExtended strand (participates in β ladder)trans-101.6124.4-174.9-64.10000110.8T292 V358 L359T292-C308 CarbonylContact O-C 3.43Å; T292-C308 WeakPolarHBondContact O-CA 3.37Å; C308-V358 CarbonylContact O-C 3.59Å; C308-V358 VanDerWaalsContact O-CA 3.3Å; C308-V358 WeakPolarHBondContact O-CA 3.41Å; C308-L359 HydrophobicContact CB-CB 4.23Å; C308-L359 HydrophobicContact CB-CD1 4.32Å; C308-L359 PolarHBondContact N-O 3.35Å; C308-L359 PolarHBondContact O-N 2.75Å
309E87.6Confident81.8Confident28 Ų2865.2 Ų65.213%0.13136%0.364CS..EExtended strand (participates in β ladder)trans-109.7113.5178.9-62.2-175.6159.200111K280 K291 T292 F294 W307 Y356 I357 V358K280-E309 WeakPolarHBondContact CE-OE1 3.16Å; K280-E309 IonicContact NZ-OE1 3.14Å; K280-E309 PolarHBondContact NZ-OE1 2.88Å; K280-E309 IonicContact NZ-OE2 2.63Å; K280-E309 PolarHBondContact NZ-OE2 2.94Å; K291-E309 WeakPolarHBondContact CA-O 3.45Å; T292-E309 PolarHBondContact N-O 3.48Å; T292-E309 PolarHBondContact O-N 3.09Å; F294-E309 HydrophobicContact CD2-CG 4.39Å; F294-E309 HydrophobicContact CE2-CG 4.38Å; F294-E309 WeakPolarHBondContact CE2-OE2 3.43Å; W307-E309 PolarHBondContact NE1-OE1 3.38Å; E309-Y356 HydrophobicContact CB-CD2 4.19Å; E309-Y356 HydrophobicContact CG-CD2 4.05Å; E309-Y356 HydrophobicContact CG-CE2 4.16Å; E309-Y356 WeakPolarHBondContact OE1-CE2 3.3Å; E309-I357 WeakPolarHBondContact CA-O 3.43Å; E309-V358 HydrophobicContact CG-CG2 4.45Å
310L79.5Confident80.7Confident12 Ų1263.2 Ų63.26%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-92.4128.1172.8-69.1178.4000111.2K291 E312 F323 Y356 I357 L359 L431K291-L310 HydrophobicContact CB-CD2 3.69Å; L310-E312 PolarHBondContact O-N 3.07Å; L310-F323 HydrophobicContact CD1-CD2 4.4Å; L310-F323 HydrophobicContact CD1-CE2 3.35Å; L310-F323 HydrophobicContact CD1-CZ 3.54Å; L310-Y356 VanDerWaalsContact O-CA 3.28Å; L310-Y356 WeakPolarHBondContact O-CA 3.35Å; L310-Y356 VanDerWaalsContact O-CB 3.3Å; L310-Y356 WeakPolarHBondContact O-CB 3.42Å; L310-I357 HydrophobicContact CB-CB 4.39Å; L310-I357 PolarHBondContact N-O 3.39Å; L310-I357 PolarHBondContact O-N 3.23Å; L310-L359 HydrophobicContact CD1-CD1 3.72Å; L310-L359 HydrophobicContact CG-CD1 3.76Å; L310-L431 HydrophobicContact CD1-CD2 4.44Å
311Q72.6Confident79.7Confident94 Ų9460.9 Ų60.944%0.43934%0.337SS..EExtended strand (participates in β ladder)trans-77.7112.5-179-63.2-173.619.600111.8F290 S313F290-Q311 PolarHBondContact O-N 3.43Å; Q311-S313 PolarHBondContact O-N 3.16Å
312E64.8Low78.4Confident24 Ų2460.5 Ų60.511%0.11233%0.327CS..G310 helixtrans-68.5-18-173.7-162-167.499.100114L310 K314 L315 R320 K355L310-E312 PolarHBondContact O-N 3.07Å; E312-K314 PolarHBondContact O-N 2.99Å; E312-L315 PolarHBondContact O-N 2.94Å; E312-R320 IonicContact OE1-CZ 3.68Å; E312-R320 IonicContact OE1-NH1 2.64Å; E312-R320 PolarHBondContact OE1-NH1 2.88Å; E312-R320 IonicContact OE1-NH2 3.5Å; E312-R320 PolarHBondContact OE1-NH2 3.29Å; E312-R320 IonicContact OE2-CZ 2.62Å; E312-R320 VanDerWaalsContact OE2-CZ 3.22Å; E312-R320 IonicContact OE2-NH1 2.64Å; E312-R320 PolarHBondContact OE2-NH1 3.02Å; E312-R320 IonicContact OE2-NH2 2.74Å; E312-K355 HydrophobicContact CB-CB 4.21Å; E312-K355 WeakPolarHBondContact CB-O 3.43Å; E312-K355 HydrophobicContact CG-CB 4.38Å; E312-K355 WeakPolarHBondContact OE1-CB 3.39Å; E312-K355 VanDerWaalsContact OE1-CD 3.31Å; E312-K355 WeakPolarHBondContact OE1-CD 3.03Å; E312-K355 WeakPolarHBondContact OE2-CB 3.46Å; E312-K355 WeakPolarHBondContact OE2-CD 3.41Å
313S61Low77.5Confident97 Ų9758.5 Ų58.568%0.67830%0.302SS*.G310 helixtrans-67.79.4-17659.10000115.4Q311Q311-S313 PolarHBondContact O-N 3.16Å
314K60.6Low76.7Confident130 Ų13058.8 Ų58.857%0.56530%0.295SS*.G310 helixtrans-126.47.1171.1-60.3-176.8-176.7173.30113.2S289 F290 E312S289-K314 PolarHBondContact O-NZ 2.89Å; F290-K314 HydrophobicContact CD1-CD 3.76Å; F290-K314 HydrophobicContact CE1-CD 3.54Å; E312-K314 PolarHBondContact O-N 2.99Å
315L62.4Low75.8Confident47 Ų4760.1 Ų60.125%0.24629%0.294CS..  trans-117.8115-173.7-82.3155.2000111.9E312 E319E312-L315 PolarHBondContact O-N 2.94Å; L315-E319 HydrophobicContact CD2-CB 3.91Å
316N67.7Low74.8Confident114 Ų11461 Ų6161%0.6130%0.299SS*.  trans-68.2162.6176.7-86-32000112.6T318 E319 R320N316-T318 VanDerWaalsContact C-N 3.27Å; N316-T318 PolarHBondContact O-N 3.14Å; N316-E319 HydrophobicContact CB-CG 4.24Å; N316-E319 WeakPolarHBondContact CB-OE2 3.49Å; N316-E319 PolarHBondContact N-OE2 3.35Å; N316-E319 PolarHBondContact O-N 2.91Å; N316-R320 WeakPolarHBondContact O-CB 3.4Å; N316-R320 PolarHBondContact O-N 2.76Å
317K74.5Confident74.1Confident180 Ų18060.8 Ų60.878%0.78330%0.296SS*.Hα-helixtrans-56.6-38.6-177.7-169.8179.5177.9-171.80112.8Q321K317-Q321 PolarHBondContact O-N 3.1Å
318T69.2Low73.5Confident102 Ų10265.2 Ų65.263%0.62632%0.317SS*.Hα-helixtrans-72.9-42178.3-45.80000112.4N316 R320 Q321 R322N316-T318 VanDerWaalsContact C-N 3.27Å; N316-T318 PolarHBondContact O-N 3.14Å; T318-R320 VanDerWaalsContact C-N 3.31Å; T318-R320 PolarHBondContact O-N 2.94Å; T318-Q321 PolarHBondContact O-N 3Å; T318-Q321 VanDerWaalsContact O-N 3.15Å; T318-R322 PolarHBondContact O-N 3.34Å
319E68.5Low73Confident66 Ų6666.9 Ų66.931%0.30832%0.324SS..Hα-helixtrans-63.9-40177.5-63.1168.4160.100110.7L315 N316 Q321 R322 F323L315-E319 HydrophobicContact CD2-CB 3.91Å; N316-E319 HydrophobicContact CB-CG 4.24Å; N316-E319 WeakPolarHBondContact CB-OE2 3.49Å; N316-E319 PolarHBondContact N-OE2 3.35Å; N316-E319 PolarHBondContact O-N 2.91Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.32Å; E319-R322 WeakPolarHBondContact O-CB 3.45Å; E319-R322 PolarHBondContact O-N 2.69Å; E319-F323 WeakPolarHBondContact O-CB 3.11Å; E319-F323 PolarHBondContact O-N 2.67Å
320R72.9Confident72.8Confident32 Ų3265.9 Ų65.912%0.12132%0.319CS..Hα-helixtrans-64-35.4172.8-163.2-162.9-41.7-141.9-13.5113.3E312 N316 T318 F323 R324 E346 I357E312-R320 IonicContact OE1-CZ 3.68Å; E312-R320 IonicContact OE1-NH1 2.64Å; E312-R320 PolarHBondContact OE1-NH1 2.88Å; E312-R320 IonicContact OE1-NH2 3.5Å; E312-R320 PolarHBondContact OE1-NH2 3.29Å; E312-R320 IonicContact OE2-CZ 2.62Å; E312-R320 VanDerWaalsContact OE2-CZ 3.22Å; E312-R320 IonicContact OE2-NH1 2.64Å; E312-R320 PolarHBondContact OE2-NH1 3.02Å; E312-R320 IonicContact OE2-NH2 2.74Å; N316-R320 WeakPolarHBondContact O-CB 3.4Å; N316-R320 PolarHBondContact O-N 2.76Å; T318-R320 VanDerWaalsContact C-N 3.31Å; T318-R320 PolarHBondContact O-N 2.94Å; R320-F323 PolarHBondContact O-N 2.94Å; R320-R324 WeakPolarHBondContact O-CG 3.32Å; R320-R324 PolarHBondContact O-N 3.28Å; R320-E346 VanDerWaalsContact CD-CD 3.46Å; R320-E346 WeakPolarHBondContact CD-OE1 3.44Å; R320-E346 VanDerWaalsContact CD-OE2 3.27Å; R320-E346 WeakPolarHBondContact CD-OE2 3.47Å; R320-E346 IonicContact CZ-OE2 2.58Å; R320-E346 IonicContact NE-OE2 2.72Å; R320-E346 IonicContact NH1-OE2 2.77Å; R320-E346 PolarHBondContact NH1-OE2 3.11Å; R320-I357 HydrophobicContact CG-CD1 4.3Å
321Q75Confident73.2Confident79 Ų7967.3 Ų67.337%0.36933%0.325SS..Hα-helixtrans-66.6-44.4175.4176.355.629.900111K317 T318 E319 R324 E325K317-Q321 PolarHBondContact O-N 3.1Å; T318-Q321 PolarHBondContact O-N 3Å; T318-Q321 VanDerWaalsContact O-N 3.15Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.32Å; Q321-R324 PolarHBondContact O-N 2.82Å; Q321-E325 PolarHBondContact NE2-OE1 2.86Å; Q321-E325 PolarHBondContact O-N 2.98Å
322R68.9Low73.8Confident70 Ų7069.2 Ų69.226%0.26434%0.338SS..Hα-helixtrans-56.5-51.7170.4-75.5173.7169.9164.40.1111.1T318 E319 R324 E325 E326 K437 F439T318-R322 PolarHBondContact O-N 3.34Å; E319-R322 WeakPolarHBondContact O-CB 3.45Å; E319-R322 PolarHBondContact O-N 2.69Å; R322-R324 PolarHBondContact O-N 3.19Å; R322-R324 VanDerWaalsContact O-N 3.12Å; R322-E325 PolarHBondContact O-N 3.42Å; R322-E326 WeakPolarHBondContact O-CB 3.25Å; R322-E326 VanDerWaalsContact O-CG 3.22Å; R322-E326 WeakPolarHBondContact O-CG 3.1Å; R322-E326 PolarHBondContact O-N 3.01Å; R322-K437 PolarHBondContact NE-O 3.31Å; R322-K437 VanDerWaalsContact NE-O 3.12Å; R322-K437 PolarHBondContact NH2-O 2.92Å; R322-F439 PolarHBondContact NH1-O 3.08Å
323F74.9Confident74.9Confident17 Ų1768.4 Ų68.48%0.07534%0.335CS..Hα-helixtrans-51.7-40.1179-171.3-78.2000112.7L310 E319 R320 E326 A327 I357 L359 G430L310-F323 HydrophobicContact CD1-CD2 4.4Å; L310-F323 HydrophobicContact CD1-CE2 3.35Å; L310-F323 HydrophobicContact CD1-CZ 3.54Å; E319-F323 WeakPolarHBondContact O-CB 3.11Å; E319-F323 PolarHBondContact O-N 2.67Å; R320-F323 PolarHBondContact O-N 2.94Å; F323-E326 PolarHBondContact O-N 3.46Å; F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.85Å; F323-A327 WeakPolarHBondContact O-CB 3.48Å; F323-A327 PolarHBondContact O-N 3Å; F323-I357 HydrophobicContact CD1-CD1 3.65Å; F323-I357 HydrophobicContact CD1-CG2 4.23Å; F323-I357 HydrophobicContact CE1-CB 4.4Å; F323-I357 HydrophobicContact CE1-CD1 3.94Å; F323-I357 HydrophobicContact CE1-CG2 3.63Å; F323-I357 HydrophobicContact CG-CD1 4Å; F323-I357 HydrophobicContact CZ-CD1 4.47Å; F323-I357 HydrophobicContact CZ-CG2 4.29Å; F323-L359 HydrophobicContact CZ-CD1 4.15Å; F323-L359 HydrophobicContact CZ-CD2 3.78Å; F323-L359 HydrophobicContact CZ-CG 4.09Å; F323-G430 WeakPolarHBondContact CE2-O 3.3Å
324R77.7Confident76.4Confident77 Ų7770.1 Ų70.129%0.29133%0.332SS..Hα-helixtrans-67.1-45175.5-72-171.4-65.5-118.31.8113R320 Q321 R322 E326 E328 Y344 E346R320-R324 WeakPolarHBondContact O-CG 3.32Å; R320-R324 PolarHBondContact O-N 3.28Å; Q321-R324 PolarHBondContact O-N 2.82Å; R322-R324 PolarHBondContact O-N 3.19Å; R322-R324 VanDerWaalsContact O-N 3.12Å; R324-E326 PolarHBondContact O-N 2.83Å; R324-E328 WeakPolarHBondContact O-CB 3.28Å; R324-E328 PolarHBondContact O-N 3.42Å; R324-Y344 HydrophobicContact CB-CE2 4.49Å; R324-Y344 WeakPolarHBondContact CB-OH 3.46Å; R324-Y344 HydrophobicContact CG-CE2 3.97Å; R324-Y344 PolarHBondContact O-OH 3.22Å; R324-E346 IonicContact CZ-OE1 3.34Å; R324-E346 IonicContact NH1-OE1 2.78Å; R324-E346 PolarHBondContact NH1-OE1 3.32Å; R324-E346 IonicContact NH1-OE2 2.67Å
325E75.8Confident78.1Confident70 Ų7066 Ų6633%0.32731%0.314SS..Hα-helixtrans-64.2-32.4176.3-69175.3-13900112.3Q321 R322 K437Q321-E325 PolarHBondContact NE2-OE1 2.86Å; Q321-E325 PolarHBondContact O-N 2.98Å; R322-E325 PolarHBondContact O-N 3.42Å; E325-K437 IonicContact OE2-NZ 2.75Å; E325-K437 PolarHBondContact OE2-NZ 3.15Å
326E75.4Confident79.7Confident19 Ų1968 Ų689%0.08933%0.331CS..Hα-helixtrans-78.5-51.1-179.7-65.6176.6148.800110.3R322 F323 R324 E328 M329 L330 T433 L434 S438R322-E326 WeakPolarHBondContact O-CB 3.25Å; R322-E326 VanDerWaalsContact O-CG 3.22Å; R322-E326 WeakPolarHBondContact O-CG 3.1Å; R322-E326 PolarHBondContact O-N 3.01Å; F323-E326 PolarHBondContact O-N 3.46Å; R324-E326 PolarHBondContact O-N 2.83Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.06Å; E326-M329 WeakPolarHBondContact O-CB 3.41Å; E326-M329 PolarHBondContact O-N 3.12Å; E326-M329 VanDerWaalsContact O-N 3.07Å; E326-L330 WeakPolarHBondContact O-CG 3.45Å; E326-L330 PolarHBondContact O-N 3.27Å; E326-T433 VanDerWaalsContact OE1-CA 3.28Å; E326-T433 WeakPolarHBondContact OE1-CA 3.39Å; E326-T433 VanDerWaalsContact OE1-CG2 3.3Å; E326-T433 WeakPolarHBondContact OE1-CG2 3.44Å; E326-T433 WeakPolarHBondContact OE2-CG2 3.44Å; E326-L434 HydrophobicContact CG-CD1 3.71Å; E326-L434 HydrophobicContact CG-CG 3.83Å; E326-L434 PolarHBondContact OE1-N 2.67Å; E326-S438 PolarHBondContact OE1-OG 2.83Å
327A81.5Confident81Confident2 Ų263.1 Ų63.12%0.01730%0.304CS..Hα-helixtrans-65.2-28.8178.700000113.9F323 L330 K331 F341 Y344F323-A327 HydrophobicContact CD1-CB 4.19Å; F323-A327 HydrophobicContact CE1-CB 3.85Å; F323-A327 WeakPolarHBondContact O-CB 3.48Å; F323-A327 PolarHBondContact O-N 3Å; A327-L330 PolarHBondContact O-N 3.24Å; A327-K331 PolarHBondContact O-N 2.84Å; A327-F341 HydrophobicContact CB-CZ 4.23Å; A327-F341 WeakPolarHBondContact O-CE1 3.33Å; A327-Y344 HydrophobicContact CB-CD1 3.4Å; A327-Y344 VanDerWaalsContact CB-CD1 3.4Å; A327-Y344 HydrophobicContact CB-CD2 4.21Å; A327-Y344 HydrophobicContact CB-CE1 3.69Å; A327-Y344 HydrophobicContact CB-CE2 4.48Å; A327-Y344 HydrophobicContact CB-CG 3.71Å
328E82.5Confident82Confident93 Ų9354.7 Ų54.744%0.43527%0.268SS..Hα-helixtrans-68.5-38.8171.5-162.667.2-173.500111.1R324 E326 L330 K331 Y344R324-E328 WeakPolarHBondContact O-CB 3.28Å; R324-E328 PolarHBondContact O-N 3.42Å; E326-E328 VanDerWaalsContact C-N 3.32Å; E326-E328 PolarHBondContact O-N 3.06Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 2.69Å; E328-K331 WeakPolarHBondContact O-CB 3.12Å; E328-K331 PolarHBondContact O-N 3.22Å; E328-K331 IonicContact OE1-NZ 3.16Å; E328-K331 PolarHBondContact OE1-NZ 3.34Å; E328-K331 WeakPolarHBondContact OE2-CD 3.37Å; E328-K331 WeakPolarHBondContact OE2-CE 3.42Å; E328-K331 IonicContact OE2-NZ 3.22Å; E328-K331 PolarHBondContact OE2-NZ 2.97Å; E328-Y344 HydrophobicContact CB-CE1 4.16Å; E328-Y344 VanDerWaalsContact OE2-CE1 3.28Å; E328-Y344 WeakPolarHBondContact OE2-CE1 3.48Å
329M80.6Confident83.2Confident52 Ų5250.5 Ų50.526%0.25624%0.242SC..Hα-helixtrans-65.9-33.7173-168.2-174.5-56.900112.6E326 K331 D332 P403 V405 L434E326-M329 WeakPolarHBondContact O-CB 3.41Å; E326-M329 PolarHBondContact O-N 3.12Å; E326-M329 VanDerWaalsContact O-N 3.07Å; M329-K331 PolarHBondContact O-N 2.77Å; M329-D332 PolarHBondContact O-N 2.65Å; M329-P403 HydrophobicContact CE-CG 3.88Å; M329-V405 HydrophobicContact SD-CG2 3.99Å; M329-L434 HydrophobicContact CE-CD1 3.53Å; M329-L434 HydrophobicContact CE-CD2 3.84Å; M329-L434 HydrophobicContact CE-CG 4.35Å; M329-L434 HydrophobicContact SD-CD1 4.39Å; M329-L434 HydrophobicContact SD-CD2 3.66Å
330L83.2Confident84.4Confident7 Ų750 Ų504%0.03724%0.237CC..Hα-helixtrans-61.4-31.7175.7-62.1-178.8000112.2E326 A327 E328 D332 L333 F341 L429E326-L330 WeakPolarHBondContact O-CG 3.45Å; E326-L330 PolarHBondContact O-N 3.27Å; A327-L330 PolarHBondContact O-N 3.24Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 2.69Å; L330-D332 PolarHBondContact O-N 2.82Å; L330-L333 HydrophobicContact CD2-CD1 3.56Å; L330-L333 WeakPolarHBondContact O-CB 3.46Å; L330-L333 PolarHBondContact O-N 3.43Å; L330-F341 HydrophobicContact CB-CB 4.18Å; L330-F341 HydrophobicContact CB-CD1 3.75Å; L330-F341 HydrophobicContact CB-CD2 4.09Å; L330-F341 HydrophobicContact CB-CE1 4.07Å; L330-F341 HydrophobicContact CB-CE2 4.4Å; L330-F341 HydrophobicContact CB-CG 3.75Å; L330-F341 HydrophobicContact CB-CZ 4.39Å; L330-F341 HydrophobicContact CD1-CD2 4.1Å; L330-F341 HydrophobicContact CD1-CE2 3.93Å; L330-F341 HydrophobicContact CD1-CZ 4.27Å; L330-L429 HydrophobicContact CD1-CB 4.43Å; L330-L429 VanDerWaalsContact CD1-O 3.31Å; L330-L429 WeakPolarHBondContact CD1-O 3.38Å; L330-L429 HydrophobicContact CD2-CB 4Å
331K87Confident85.3Confident41 Ų4149 Ų4918%0.17823%0.234CC..Hα-helixtrans-63.1-25179.9-71163.553.7176.30113.4A327 E328 M329 R340 F341 D343 Y344A327-K331 PolarHBondContact O-N 2.84Å; E328-K331 WeakPolarHBondContact O-CB 3.12Å; E328-K331 PolarHBondContact O-N 3.22Å; E328-K331 IonicContact OE1-NZ 3.16Å; E328-K331 PolarHBondContact OE1-NZ 3.34Å; E328-K331 WeakPolarHBondContact OE2-CD 3.37Å; E328-K331 WeakPolarHBondContact OE2-CE 3.42Å; E328-K331 IonicContact OE2-NZ 3.22Å; E328-K331 PolarHBondContact OE2-NZ 2.97Å; M329-K331 PolarHBondContact O-N 2.77Å; K331-R340 VanDerWaalsContact O-CZ 3.24Å; K331-R340 PolarHBondContact O-NH1 3.02Å; K331-R340 PolarHBondContact O-NH2 2.77Å; K331-F341 HydrophobicContact CB-CD1 4.42Å; K331-F341 HydrophobicContact CD-CE1 4.4Å; K331-F341 HydrophobicContact CG-CD1 3.57Å; K331-F341 HydrophobicContact CG-CE1 3.71Å; K331-D343 VanDerWaalsContact CE-OD1 3.24Å; K331-D343 WeakPolarHBondContact CE-OD1 3.49Å; K331-D343 IonicContact NZ-OD1 3.91Å; K331-D343 PolarHBondContact NZ-OD1 2.69Å; K331-Y344 HydrophobicContact CD-CD1 3.95Å; K331-Y344 HydrophobicContact CD-CE1 4.31Å
332D85.2Confident86.1Confident134 Ų13448.1 Ų48.172%0.71723%0.228SC*.THydrogen-bonded Turntrans-90.4-6.9175.6-69.4-25.6000113.7M329 L330 Q334M329-D332 PolarHBondContact O-N 2.65Å; L330-D332 PolarHBondContact O-N 2.82Å; D332-Q334 PolarHBondContact O-N 2.75Å; D332-Q334 VanDerWaalsContact O-N 3.12Å
333L88.8Confident87.2Confident8 Ų846.2 Ų46.24%0.04222%0.223CC..  trans-73.3107178.7-63.4179.7000111.7L330 R340 F397 L398 R401 L429L330-L333 HydrophobicContact CD2-CD1 3.56Å; L330-L333 WeakPolarHBondContact O-CB 3.46Å; L330-L333 PolarHBondContact O-N 3.43Å; L333-R340 PolarHBondContact O-NH1 3.09Å; L333-F397 HydrophobicContact CB-CE1 4.21Å; L333-F397 HydrophobicContact CD2-CE1 3.78Å; L333-F397 HydrophobicContact CD2-CZ 4.22Å; L333-L398 HydrophobicContact CD1-CD2 3.86Å; L333-R401 HydrophobicContact CD2-CG 3.77Å; L333-L429 HydrophobicContact CD1-CD1 4.14Å
334Q93Very high87.9Confident132 Ų13247.2 Ų47.262%0.61723%0.226SC*.  trans-126.2111175.1-61.1-167.942.300110.5D332 R340 F397D332-Q334 PolarHBondContact O-N 2.75Å; D332-Q334 VanDerWaalsContact O-N 3.12Å; Q334-R340 VanDerWaalsContact CG-CZ 3.5Å; Q334-F397 VanDerWaalsContact O-CZ 3.29Å; Q334-F397 WeakPolarHBondContact O-CZ 3.44Å
335H95.7Very high88.4Confident43 Ų4344.2 Ų44.220%0.19922%0.215CC..  trans-155139.2176.1179.5-98.2000109.5N337 I338 F397H335-N337 PolarHBondContact ND1-N 3.02Å; H335-N337 PolarHBondContact O-N 3.42Å; H335-I338 HydrophobicContact CB-CB 4.23Å; H335-I338 HydrophobicContact CB-CG1 3.86Å; H335-I338 PolarHBondContact O-N 3.47Å; H335-F397 HydrophobicContact CB-CB 4.38Å; H335-F397 HydrophobicContact CB-CD1 3.53Å; H335-F397 HydrophobicContact CB-CD2 3.94Å; H335-F397 HydrophobicContact CB-CE1 3.64Å; H335-F397 HydrophobicContact CB-CE2 4.04Å; H335-F397 HydrophobicContact CB-CG 3.68Å; H335-F397 HydrophobicContact CB-CZ 3.9Å; H335-F397 AromaticContact CD2-CD2 3.86Å; H335-F397 AromaticContact CD2-CG 3.82Å; H335-F397 AromaticContact CG-CD1 3.99Å; H335-F397 AromaticContact CG-CG 3.72Å
336P95Very high89Confident90 Ų9043 Ų4358%0.58421%0.209SC*.THydrogen-bonded Turntrans-59.8-21-174.722.2-35.6000115K425P336-K425 WeakPolarHBondContact O-CE 3.36Å; P336-K425 WeakPolarHBondContact O-CG 3.47Å
337N96.6Very high89.5Confident11 Ų1143.3 Ų43.36%0.05921%0.214CC..THydrogen-bonded Turntrans-106.620.1176.6-52.7117.5000114H335 Q390 V424 K425 I426H335-N337 PolarHBondContact ND1-N 3.02Å; H335-N337 PolarHBondContact O-N 3.42Å; N337-Q390 HydrophobicContact CB-CB 4.4Å; N337-Q390 WeakPolarHBondContact CB-O 3.22Å; N337-Q390 WeakPolarHBondContact ND2-CB 3.22Å; N337-Q390 WeakPolarHBondContact ND2-CG 3.19Å; N337-Q390 PolarHBondContact ND2-OE1 2.75Å; N337-V424 WeakPolarHBondContact CA-O 3.5Å; N337-V424 WeakPolarHBondContact CB-O 3.13Å; N337-V424 PolarHBondContact ND2-O 3.26Å; N337-K425 WeakPolarHBondContact O-CA 3.4Å; N337-I426 PolarHBondContact O-N 3.06Å
338I95.3Very high89.6Confident4 Ų445.4 Ų45.42%0.02123%0.231CC..BIsolated β-bridgetrans-120.2139.5169.8-59.4-61.4000108H335 R340 F397 L398 I426 L429H335-I338 HydrophobicContact CB-CB 4.23Å; H335-I338 HydrophobicContact CB-CG1 3.86Å; H335-I338 PolarHBondContact O-N 3.47Å; I338-R340 PolarHBondContact O-N 2.75Å; I338-F397 HydrophobicContact CG1-CD1 4.05Å; I338-F397 HydrophobicContact CG1-CE1 4.48Å; I338-L398 HydrophobicContact CD1-CD1 3.84Å; I338-L398 HydrophobicContact CD1-CD2 4.19Å; I338-L398 HydrophobicContact CD1-CG 3.95Å; I338-I426 WeakPolarHBondContact CA-O 3.42Å; I338-I426 HydrophobicContact CD1-CB 4Å; I338-I426 HydrophobicContact CD1-CD1 4.25Å; I338-I426 HydrophobicContact CD1-CG1 4.42Å; I338-L429 HydrophobicContact CG2-CD1 3.55Å
339V93.9Very high89.3Confident14 Ų1443.3 Ų43.39%0.08522%0.223CC..PPolyproline II helixtrans-67.3124.5173176.60000108.3F341 E362 M364 F416 K425 I426V339-F341 PolarHBondContact O-N 2.74Å; V339-E362 HydrophobicContact CG1-CB 3.94Å; V339-M364 HydrophobicContact CG1-CG 4.24Å; V339-M364 HydrophobicContact CG2-CG 3.87Å; V339-M364 HydrophobicContact CG2-SD 4.14Å; V339-F416 HydrophobicContact CG2-CD2 3.92Å; V339-K425 HydrophobicContact CG2-CB 3.7Å; V339-I426 PolarHBondContact N-O 3.04Å
340R93.3Very high88.9Confident54 Ų5450.1 Ų50.120%0.20426%0.26CS..PPolyproline II helixtrans-64.5126.3-175.1-177.368.6-172.411812.3110.8K331 L333 Q334 I338 Y342 T361 E362K331-R340 VanDerWaalsContact O-CZ 3.24Å; K331-R340 PolarHBondContact O-NH1 3.02Å; K331-R340 PolarHBondContact O-NH2 2.77Å; L333-R340 PolarHBondContact O-NH1 3.09Å; Q334-R340 VanDerWaalsContact CG-CZ 3.5Å; I338-R340 PolarHBondContact O-N 2.75Å; R340-Y342 HydrophobicContact CB-CE1 4.35Å; R340-Y342 HydrophobicContact CG-CD1 3.9Å; R340-Y342 HydrophobicContact CG-CE1 3.51Å; R340-T361 CarbonylContact O-C 3.53Å; R340-T361 VanDerWaalsContact O-CA 3.25Å; R340-T361 WeakPolarHBondContact O-CA 3.49Å; R340-T361 WeakPolarHBondContact O-CB 3.07Å; R340-E362 HydrophobicContact CB-CB 4.04Å; R340-E362 PolarHBondContact N-OE2 3.27Å; R340-E362 VanDerWaalsContact N-OE2 3.13Å; R340-E362 PolarHBondContact O-N 2.91Å
341F91.8Very high88.4Confident11 Ų1153.4 Ų53.45%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-93.4126.2169.7-164.1-89.6000109A327 L330 K331 V339 Y344 L359 T361A327-F341 HydrophobicContact CB-CZ 4.23Å; A327-F341 WeakPolarHBondContact O-CE1 3.33Å; L330-F341 HydrophobicContact CB-CB 4.18Å; L330-F341 HydrophobicContact CB-CD1 3.75Å; L330-F341 HydrophobicContact CB-CD2 4.09Å; L330-F341 HydrophobicContact CB-CE1 4.07Å; L330-F341 HydrophobicContact CB-CE2 4.4Å; L330-F341 HydrophobicContact CB-CG 3.75Å; L330-F341 HydrophobicContact CB-CZ 4.39Å; L330-F341 HydrophobicContact CD1-CD2 4.1Å; L330-F341 HydrophobicContact CD1-CE2 3.93Å; L330-F341 HydrophobicContact CD1-CZ 4.27Å; K331-F341 HydrophobicContact CB-CD1 4.42Å; K331-F341 HydrophobicContact CD-CE1 4.4Å; K331-F341 HydrophobicContact CG-CD1 3.57Å; K331-F341 HydrophobicContact CG-CE1 3.71Å; V339-F341 PolarHBondContact O-N 2.74Å; F341-Y344 HydrophobicContact CE1-CD1 4.42Å; F341-L359 HydrophobicContact CE2-CB 3.89Å; F341-L359 HydrophobicContact CE2-CD2 3.65Å; F341-L359 HydrophobicContact CE2-CG 4.24Å; F341-L359 HydrophobicContact CZ-CB 4.02Å; F341-L359 HydrophobicContact CZ-CD2 3.98Å; F341-L359 HydrophobicContact CZ-CG 4.23Å; F341-T361 HydrophobicContact CD2-CG2 3.72Å; F341-T361 HydrophobicContact CE2-CG2 4.25Å
342Y92.4Very high87.6Confident61 Ų6154.5 Ų54.524%0.23931%0.305CS..EExtended strand (participates in β ladder)trans-99.1-54.3-174.5-64.4-66000112.6V305 R340 V360 E362V305-Y342 HydrophobicContact CG1-CD2 4.05Å; V305-Y342 HydrophobicContact CG1-CE2 3.74Å; R340-Y342 HydrophobicContact CB-CE1 4.35Å; R340-Y342 HydrophobicContact CG-CD1 3.9Å; R340-Y342 HydrophobicContact CG-CE1 3.51Å; Y342-V360 HydrophobicContact CD2-CG1 4.19Å; Y342-V360 PolarHBondContact N-O 3.49Å; Y342-E362 HydrophobicContact CE2-CB 4.24Å
343D91.6Very high87Confident31 Ų3156 Ų5617%0.16631%0.305CS..EExtended strand (participates in β ladder)trans-162168.9-177.1-157.611.4000111.7F278 K331 W345 V360F278-D343 HydrophobicContact CE2-CB 3.75Å; F278-D343 HydrophobicContact CZ-CB 4.43Å; K331-D343 VanDerWaalsContact CE-OD1 3.24Å; K331-D343 WeakPolarHBondContact CE-OD1 3.49Å; K331-D343 IonicContact NZ-OD1 3.91Å; K331-D343 PolarHBondContact NZ-OD1 2.69Å; D343-W345 HydrophobicContact CB-CZ3 4.36Å; D343-V360 PolarHBondContact O-N 3.44Å
344Y89.3Confident86.3Confident37 Ų3763.8 Ų63.815%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-146.3156171.884.3-88.8000111.8R324 A327 E328 K331 F341 I357 V358R324-Y344 HydrophobicContact CB-CE2 4.49Å; R324-Y344 WeakPolarHBondContact CB-OH 3.46Å; R324-Y344 HydrophobicContact CG-CE2 3.97Å; R324-Y344 PolarHBondContact O-OH 3.22Å; A327-Y344 HydrophobicContact CB-CD1 3.4Å; A327-Y344 VanDerWaalsContact CB-CD1 3.4Å; A327-Y344 HydrophobicContact CB-CD2 4.21Å; A327-Y344 HydrophobicContact CB-CE1 3.69Å; A327-Y344 HydrophobicContact CB-CE2 4.48Å; A327-Y344 HydrophobicContact CB-CG 3.71Å; E328-Y344 HydrophobicContact CB-CE1 4.16Å; E328-Y344 VanDerWaalsContact OE2-CE1 3.28Å; E328-Y344 WeakPolarHBondContact OE2-CE1 3.48Å; K331-Y344 HydrophobicContact CD-CD1 3.95Å; K331-Y344 HydrophobicContact CD-CE1 4.31Å; F341-Y344 HydrophobicContact CE1-CD1 4.42Å; Y344-I357 HydrophobicContact CD2-CG2 4.22Å; Y344-V358 CarbonylContact C-O 3.54Å; Y344-V358 WeakPolarHBondContact CA-O 3.48Å; Y344-V358 WeakPolarHBondContact CB-O 3.36Å
345W89Confident85.5Confident15 Ų1562.6 Ų62.66%0.05733%0.327CS..EExtended strand (participates in β ladder)trans-157.6148.4168.758.188.2000113.5K274 F278 W307 D343 S347 V358 V360K274-W345 HydrophobicContact CD-CB 4.19Å; K274-W345 HydrophobicContact CD-CG 4.33Å; K274-W345 HydrophobicContact CG-CG 4.39Å; F278-W345 HydrophobicContact CB-CH2 4.29Å; F278-W345 HydrophobicContact CD2-CH2 4.04Å; F278-W345 AromaticContact CD2-CZ3 3.9Å; F278-W345 HydrophobicContact CD2-CZ3 3.9Å; F278-W345 HydrophobicContact CE2-CZ3 4.5Å; W307-W345 HydrophobicContact CE3-CH2 4.36Å; W307-W345 HydrophobicContact CE3-CZ2 4.32Å; W307-W345 HydrophobicContact CH2-CH2 4.32Å; W307-W345 AromaticContact CH2-CZ2 3.59Å; W307-W345 HydrophobicContact CH2-CZ2 3.59Å; W307-W345 HydrophobicContact CZ2-CZ2 4.02Å; W307-W345 AromaticContact CZ3-CH2 4Å; W307-W345 HydrophobicContact CZ3-CH2 4Å; W307-W345 AromaticContact CZ3-CZ2 3.74Å; W307-W345 HydrophobicContact CZ3-CZ2 3.74Å; D343-W345 HydrophobicContact CB-CZ3 4.36Å; W345-S347 PolarHBondContact O-N 3.33Å; W345-V358 HydrophobicContact CD2-CB 4.17Å; W345-V358 HydrophobicContact CG-CB 4.49Å; W345-V358 HydrophobicContact CH2-CB 4.47Å; W345-V358 HydrophobicContact CH2-CG1 3.86Å; W345-V358 HydrophobicContact CZ2-CB 3.81Å; W345-V358 HydrophobicContact CZ2-CG1 3.47Å; W345-V358 VanDerWaalsContact CZ2-CG1 3.47Å; W345-V358 HydrophobicContact CZ2-CG2 4.26Å; W345-V358 PolarHBondContact N-O 2.96Å; W345-V358 PolarHBondContact O-N 3.5Å; W345-V360 HydrophobicContact CH2-CG2 3.42Å; W345-V360 VanDerWaalsContact CH2-CG2 3.42Å; W345-V360 HydrophobicContact CZ3-CG2 3.63Å
346E86.8Confident84.9Confident43 Ų4362.4 Ų62.420%0.20133%0.325CS..EExtended strand (participates in β ladder)trans-68.5126.3162.1-81.6170.4-10900110.2K274 R320 R324 I357K274-E346 WeakPolarHBondContact CE-O 3.42Å; K274-E346 PolarHBondContact NZ-O 2.88Å; R320-E346 VanDerWaalsContact CD-CD 3.46Å; R320-E346 WeakPolarHBondContact CD-OE1 3.44Å; R320-E346 VanDerWaalsContact CD-OE2 3.27Å; R320-E346 WeakPolarHBondContact CD-OE2 3.47Å; R320-E346 IonicContact CZ-OE2 2.58Å; R320-E346 IonicContact NE-OE2 2.72Å; R320-E346 IonicContact NH1-OE2 2.77Å; R320-E346 PolarHBondContact NH1-OE2 3.11Å; R324-E346 IonicContact CZ-OE1 3.34Å; R324-E346 IonicContact NH1-OE1 2.78Å; R324-E346 PolarHBondContact NH1-OE1 3.32Å; R324-E346 IonicContact NH1-OE2 2.67Å; E346-I357 HydrophobicContact CG-CG1 4.2Å
347S86.9Confident84.4Confident26 Ų2658.2 Ų58.218%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-116.6171.5170.7-1630000110.9W345 K355 Y356W345-S347 PolarHBondContact O-N 3.33Å; S347-K355 VanDerWaalsContact O-CA 3.3Å; S347-K355 WeakPolarHBondContact O-CA 3.25Å; S347-Y356 PolarHBondContact N-O 3.44Å; S347-Y356 PolarHBondContact O-N 2.95Å; S347-Y356 PolarHBondContact OG-OH 3.32Å
348A83Confident84.1Confident47 Ų4757.7 Ų57.739%0.38829%0.294SS..EExtended strand (participates in β ladder)trans-138.1146.317300000110.2R354 K355A348-R354 CarbonylContact C-O 3.53Å; A348-R354 WeakPolarHBondContact CA-O 3.24Å; A348-K355 HydrophobicContact CB-CG 4.23Å
349D77.6Confident83.8Confident49 Ų4957.9 Ų57.926%0.26230%0.296SS..  trans-59.6157.6174.566.1-2.7000111.2C351 G352 K353 R354D349-C351 PolarHBondContact O-N 3Å; D349-G352 PolarHBondContact O-N 2.76Å; D349-G352 PolarHBondContact OD1-N 3.31Å; D349-K353 PolarHBondContact OD1-N 3.04Å; D349-R354 HydrophobicContact CB-CB 4.43Å; D349-R354 VanDerWaalsContact CG-N 3.28Å; D349-R354 PolarHBondContact N-O 3.45Å; D349-R354 PolarHBondContact OD1-N 2.95Å; D349-R354 WeakPolarHBondContact OD2-CB 3.45Å; D349-R354 PolarHBondContact OD2-N 3.21Å
350L70.9Confident83.8Confident195 Ų19557.2 Ų57.2100%1.02129%0.292SS*.THydrogen-bonded Turntrans-56.6-8179.9-65.3171000114.1
351C72.9Confident83.8Confident75 Ų7556 Ų5651%0.50729%0.29SS..THydrogen-bonded Turntrans-106.6-4.1178.7-1420000113.9D349 K353D349-C351 PolarHBondContact O-N 3Å; C351-K353 HydrophobicContact CB-CD 4Å; C351-K353 HydrophobicContact CB-CG 4.33Å; C351-K353 PolarHBondContact O-N 3.48Å; C351-K353 WeakPolarHBondContact SG-CE 3.41Å; C351-K353 PolarHBondContact SG-NZ 3.03Å
352G70.9Confident83.9Confident64 Ų6457.4 Ų57.466%0.6630%0.297SS*.SBendtrans64.819.8-178.200000114.8D349D349-G352 PolarHBondContact O-N 2.76Å; D349-G352 PolarHBondContact OD1-N 3.31Å
353K71.7Confident84Confident167 Ų16756.3 Ų56.373%0.72630%0.295SS*.SBendtrans-105.2-29.6-171.8-73.5168.5-171.4165.70113.2D349 C351D349-K353 PolarHBondContact OD1-N 3.04Å; C351-K353 HydrophobicContact CB-CD 4Å; C351-K353 HydrophobicContact CB-CG 4.33Å; C351-K353 PolarHBondContact O-N 3.48Å; C351-K353 WeakPolarHBondContact SG-CE 3.41Å; C351-K353 PolarHBondContact SG-NZ 3.03Å
354R73.6Confident84.1Confident170 Ų17056.1 Ų56.164%0.64229%0.293SS*.  trans-123120.2172.6-69.4179.1166-172.9-6.3109.1A348 D349A348-R354 CarbonylContact C-O 3.53Å; A348-R354 WeakPolarHBondContact CA-O 3.24Å; D349-R354 HydrophobicContact CB-CB 4.43Å; D349-R354 VanDerWaalsContact CG-N 3.28Å; D349-R354 PolarHBondContact N-O 3.45Å; D349-R354 PolarHBondContact OD1-N 2.95Å; D349-R354 WeakPolarHBondContact OD2-CB 3.45Å; D349-R354 PolarHBondContact OD2-N 3.21Å
355K78.1Confident84.1Confident107 Ų10760 Ų6047%0.46532%0.321SS..EExtended strand (participates in β ladder)trans-87.8157.1162.9-64.7176.6173.6-171.50110E312 S347 A348E312-K355 HydrophobicContact CB-CB 4.21Å; E312-K355 WeakPolarHBondContact CB-O 3.43Å; E312-K355 HydrophobicContact CG-CB 4.38Å; E312-K355 WeakPolarHBondContact OE1-CB 3.39Å; E312-K355 VanDerWaalsContact OE1-CD 3.31Å; E312-K355 WeakPolarHBondContact OE1-CD 3.03Å; E312-K355 WeakPolarHBondContact OE2-CB 3.46Å; E312-K355 WeakPolarHBondContact OE2-CD 3.41Å; S347-K355 VanDerWaalsContact O-CA 3.3Å; S347-K355 WeakPolarHBondContact O-CA 3.25Å; A348-K355 HydrophobicContact CB-CG 4.23Å
356Y82.7Confident84.2Confident40 Ų4062 Ų6216%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-151.9156.4176.756.1-79.2000109.1D271 E309 L310 S347 V358D271-Y356 PolarHBondContact OD2-OH 3.35Å; D271-Y356 VanDerWaalsContact OD2-OH 3.05Å; E309-Y356 HydrophobicContact CB-CD2 4.19Å; E309-Y356 HydrophobicContact CG-CD2 4.05Å; E309-Y356 HydrophobicContact CG-CE2 4.16Å; E309-Y356 WeakPolarHBondContact OE1-CE2 3.3Å; L310-Y356 VanDerWaalsContact O-CA 3.28Å; L310-Y356 WeakPolarHBondContact O-CA 3.35Å; L310-Y356 VanDerWaalsContact O-CB 3.3Å; L310-Y356 WeakPolarHBondContact O-CB 3.42Å; S347-Y356 PolarHBondContact N-O 3.44Å; S347-Y356 PolarHBondContact O-N 2.95Å; S347-Y356 PolarHBondContact OG-OH 3.32Å; Y356-V358 HydrophobicContact CD2-CG2 3.79Å; Y356-V358 HydrophobicContact CE2-CG2 3.57Å
357I84.5Confident84.5Confident1 Ų160.4 Ų60.41%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-103.2125.8174.3-44.8-179.9000108E309 L310 R320 F323 Y344 E346E309-I357 WeakPolarHBondContact CA-O 3.43Å; L310-I357 HydrophobicContact CB-CB 4.39Å; L310-I357 PolarHBondContact N-O 3.39Å; L310-I357 PolarHBondContact O-N 3.23Å; R320-I357 HydrophobicContact CG-CD1 4.3Å; F323-I357 HydrophobicContact CD1-CD1 3.65Å; F323-I357 HydrophobicContact CD1-CG2 4.23Å; F323-I357 HydrophobicContact CE1-CB 4.4Å; F323-I357 HydrophobicContact CE1-CD1 3.94Å; F323-I357 HydrophobicContact CE1-CG2 3.63Å; F323-I357 HydrophobicContact CG-CD1 4Å; F323-I357 HydrophobicContact CZ-CD1 4.47Å; F323-I357 HydrophobicContact CZ-CG2 4.29Å; Y344-I357 HydrophobicContact CD2-CG2 4.22Å; E346-I357 HydrophobicContact CG-CG1 4.2Å
358V89.7Confident84.8Confident0 Ų059.8 Ų59.80%033%0.328CS..EExtended strand (participates in β ladder)trans-93137171.2-1740000108.8W307 C308 E309 Y344 W345 Y356 V360W307-V358 HydrophobicContact CD2-CG1 3.78Å; W307-V358 HydrophobicContact CE3-CG1 4.38Å; W307-V358 HydrophobicContact CG-CG1 4.1Å; W307-V358 HydrophobicContact CZ2-CG1 4.02Å; W307-V358 HydrophobicContact CZ2-CG2 4.17Å; C308-V358 CarbonylContact O-C 3.59Å; C308-V358 VanDerWaalsContact O-CA 3.3Å; C308-V358 WeakPolarHBondContact O-CA 3.41Å; E309-V358 HydrophobicContact CG-CG2 4.45Å; Y344-V358 CarbonylContact C-O 3.54Å; Y344-V358 WeakPolarHBondContact CA-O 3.48Å; Y344-V358 WeakPolarHBondContact CB-O 3.36Å; W345-V358 HydrophobicContact CD2-CB 4.17Å; W345-V358 HydrophobicContact CG-CB 4.49Å; W345-V358 HydrophobicContact CH2-CB 4.47Å; W345-V358 HydrophobicContact CH2-CG1 3.86Å; W345-V358 HydrophobicContact CZ2-CB 3.81Å; W345-V358 HydrophobicContact CZ2-CG1 3.47Å; W345-V358 VanDerWaalsContact CZ2-CG1 3.47Å; W345-V358 HydrophobicContact CZ2-CG2 4.26Å; W345-V358 PolarHBondContact N-O 2.96Å; W345-V358 PolarHBondContact O-N 3.5Å; Y356-V358 HydrophobicContact CD2-CG2 3.79Å; Y356-V358 HydrophobicContact CE2-CG2 3.57Å; V358-V360 HydrophobicContact CG1-CG2 4.4Å
359L89.6Confident85.4Confident9 Ų957.6 Ų57.65%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-125.4139.8169.7-4876.5000107.4C308 L310 F323 F341C308-L359 HydrophobicContact CB-CB 4.23Å; C308-L359 HydrophobicContact CB-CD1 4.32Å; C308-L359 PolarHBondContact N-O 3.35Å; C308-L359 PolarHBondContact O-N 2.75Å; L310-L359 HydrophobicContact CD1-CD1 3.72Å; L310-L359 HydrophobicContact CG-CD1 3.76Å; F323-L359 HydrophobicContact CZ-CD1 4.15Å; F323-L359 HydrophobicContact CZ-CD2 3.78Å; F323-L359 HydrophobicContact CZ-CG 4.09Å; F341-L359 HydrophobicContact CE2-CB 3.89Å; F341-L359 HydrophobicContact CE2-CD2 3.65Å; F341-L359 HydrophobicContact CE2-CG 4.24Å; F341-L359 HydrophobicContact CZ-CB 4.02Å; F341-L359 HydrophobicContact CZ-CD2 3.98Å; F341-L359 HydrophobicContact CZ-CG 4.23Å
360V93.4Very high86.1Confident0 Ų058.2 Ų58.20%031%0.31CS..EExtended strand (participates in β ladder)trans-116.9123.9177-1710000110F278 V305 A306 Y342 D343 W345 V358F278-V360 HydrophobicContact CB-CG2 4.3Å; F278-V360 HydrophobicContact CD1-CG1 3.74Å; F278-V360 HydrophobicContact CD2-CB 4.43Å; F278-V360 HydrophobicContact CD2-CG1 4.44Å; F278-V360 HydrophobicContact CD2-CG2 3.98Å; F278-V360 HydrophobicContact CE1-CG1 3.95Å; F278-V360 HydrophobicContact CE2-CG2 4.48Å; F278-V360 HydrophobicContact CG-CB 4.43Å; F278-V360 HydrophobicContact CG-CG1 3.99Å; F278-V360 HydrophobicContact CG-CG2 4.04Å; F278-V360 HydrophobicContact CZ-CG1 4.39Å; V305-V360 HydrophobicContact CB-CG1 3.7Å; V305-V360 HydrophobicContact CG1-CG1 4.2Å; V305-V360 HydrophobicContact CG2-CG1 3.61Å; A306-V360 WeakPolarHBondContact O-CA 2.74Å; Y342-V360 HydrophobicContact CD2-CG1 4.19Å; Y342-V360 PolarHBondContact N-O 3.49Å; D343-V360 PolarHBondContact O-N 3.44Å; W345-V360 HydrophobicContact CH2-CG2 3.42Å; W345-V360 VanDerWaalsContact CH2-CG2 3.42Å; W345-V360 HydrophobicContact CZ3-CG2 3.63Å; V358-V360 HydrophobicContact CG1-CG2 4.4Å
361T93.9Very high87.1Confident27 Ų2754.6 Ų54.617%0.16629%0.289CS..EExtended strand (participates in β ladder)trans-129.5167.9179.970.60000112.2V305 A306 R340 F341V305-T361 WeakPolarHBondContact CB-O 3.12Å; A306-T361 PolarHBondContact N-O 3.15Å; A306-T361 PolarHBondContact O-N 2.78Å; R340-T361 CarbonylContact O-C 3.53Å; R340-T361 VanDerWaalsContact O-CA 3.25Å; R340-T361 WeakPolarHBondContact O-CA 3.49Å; R340-T361 WeakPolarHBondContact O-CB 3.07Å; F341-T361 HydrophobicContact CD2-CG2 3.72Å; F341-T361 HydrophobicContact CE2-CG2 4.25Å
362E93.8Very high88.1Confident41 Ų4154.1 Ų54.119%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-55.3135.7167.8175.2178.7-165.400111.6V339 R340 Y342 M364 K425V339-E362 HydrophobicContact CG1-CB 3.94Å; R340-E362 HydrophobicContact CB-CB 4.04Å; R340-E362 PolarHBondContact N-OE2 3.27Å; R340-E362 VanDerWaalsContact N-OE2 3.13Å; R340-E362 PolarHBondContact O-N 2.91Å; Y342-E362 HydrophobicContact CE2-CB 4.24Å; E362-M364 HydrophobicContact CG-SD 3.97Å; E362-M364 PolarHBondContact O-N 2.92Å; E362-K425 IonicContact OE1-NZ 2.74Å; E362-K425 PolarHBondContact OE1-NZ 3.46Å; E362-K425 IonicContact OE2-NZ 3.82Å; E362-K425 PolarHBondContact OE2-NZ 3.48Å
363L93.8Very high89.1Confident39 Ų3951.5 Ų51.520%0.20425%0.248CC..  trans-86.3108.3-178.917957000111.1L285 R295 A304 A306 T365L285-L363 HydrophobicContact CD1-CD1 3.45Å; L285-L363 VanDerWaalsContact CD1-CD1 3.45Å; R295-L363 HydrophobicContact CG-CD2 4.44Å; A304-L363 HydrophobicContact CB-CD2 3.74Å; A304-L363 WeakPolarHBondContact O-CB 3.3Å; A306-L363 HydrophobicContact CB-CD1 4.21Å; L363-T365 HydrophobicContact CD2-CG2 4.22Å; L363-T365 HydrophobicContact CG-CG2 3.95Å; L363-T365 PolarHBondContact O-N 3.39Å
364M93.5Very high90Very high26 Ų2652.5 Ų52.513%0.12825%0.252CS..  trans-87.882.1-178-61.6-54.7-59.800112.1V339 E362 S366 F416 K425V339-M364 HydrophobicContact CG1-CG 4.24Å; V339-M364 HydrophobicContact CG2-CG 3.87Å; V339-M364 HydrophobicContact CG2-SD 4.14Å; E362-M364 HydrophobicContact CG-SD 3.97Å; E362-M364 PolarHBondContact O-N 2.92Å; M364-S366 VanDerWaalsContact C-N 3.32Å; M364-S366 PolarHBondContact O-N 2.92Å; M364-F416 HydrophobicContact CB-CB 3.74Å; M364-F416 HydrophobicContact CB-CD1 3.41Å; M364-F416 VanDerWaalsContact CB-CD1 3.41Å; M364-F416 HydrophobicContact CB-CE1 4.19Å; M364-F416 HydrophobicContact CB-CG 3.71Å; M364-F416 HydrophobicContact CE-CB 3.65Å; M364-F416 HydrophobicContact CG-CB 3.64Å; M364-F416 HydrophobicContact CG-CD1 3.91Å; M364-F416 HydrophobicContact CG-CD2 4.31Å; M364-F416 HydrophobicContact CG-CG 3.69Å; M364-F416 HydrophobicContact SD-CB 4.4Å; M364-K425 HydrophobicContact CE-CB 4.18Å; M364-K425 HydrophobicContact CE-CD 4.02Å; M364-K425 HydrophobicContact CE-CG 4.36Å; M364-K425 HydrophobicContact SD-CD 4.03Å
365T90.6Very high90.7Very high118 Ų11854 Ų5472%0.72426%0.258SS*.THydrogen-bonded Turntrans-69.2-19.1-172.559.10000115.8L363L363-T365 HydrophobicContact CD2-CG2 4.22Å; L363-T365 HydrophobicContact CG-CG2 3.95Å; L363-T365 PolarHBondContact O-N 3.39Å
366S91.4Very high91Very high58 Ų5854 Ų5441%0.40626%0.258SS..THydrogen-bonded Turntrans-93.69.4-173-41.60000114.3M364 I417 G419M364-S366 VanDerWaalsContact C-N 3.32Å; M364-S366 PolarHBondContact O-N 2.92Å; S366-I417 WeakPolarHBondContact CB-O 3.14Å; S366-G419 VanDerWaalsContact OG-CA 3.26Å; S366-G419 WeakPolarHBondContact OG-CA 3.26Å; S366-G419 PolarHBondContact OG-N 3.48Å
367G92.1Very high90.7Very high9 Ų960.1 Ų60.19%0.09329%0.285CS..  trans79.9-170.6175.200000114.9I417G367-I417 PolarHBondContact O-N 3.47Å
368T94Very high90.6Very high14 Ų1470.9 Ų70.99%0.08633%0.326CS..BIsolated β-bridgetrans-102.8163.5-173.374.30000111.9K370 M371 Y372 D413 I415 F416T368-K370 PolarHBondContact O-N 3.12Å; T368-K370 PolarHBondContact OG1-N 3.45Å; T368-M371 HydrophobicContact CG2-SD 4.11Å; T368-M371 WeakPolarHBondContact O-CB 3.36Å; T368-M371 PolarHBondContact O-N 3.41Å; T368-M371 VanDerWaalsContact O-N 3.14Å; T368-M371 WeakPolarHBondContact OG1-CG 3.41Å; T368-M371 PolarHBondContact OG1-N 3.35Å; T368-M371 VanDerWaalsContact OG1-N 3.11Å; T368-Y372 PolarHBondContact O-N 2.9Å; T368-D413 WeakPolarHBondContact CB-O 3.44Å; T368-D413 WeakPolarHBondContact CG2-O 3.24Å; T368-I415 CarbonylContact C-O 3.57Å; T368-I415 WeakPolarHBondContact CA-O 3.22Å; T368-F416 HydrophobicContact CG2-CD1 4.04Å; T368-F416 HydrophobicContact CG2-CE1 3.9Å
369L94.2Very high90.5Very high0 Ų071.9 Ų71.90%033%0.331CS..Hα-helixtrans-58.7-35.5173.717857.9000111.9Y372 L373 I379 W387 C412 I415 M475L369-Y372 WeakPolarHBondContact O-CB 3.46Å; L369-Y372 PolarHBondContact O-N 3.37Å; L369-L373 HydrophobicContact CG-CD1 4.37Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 2.98Å; L369-I379 HydrophobicContact CD1-CD1 4.17Å; L369-W387 HydrophobicContact CD1-CE3 3.56Å; L369-W387 HydrophobicContact CD1-CZ3 3.47Å; L369-W387 VanDerWaalsContact CD1-CZ3 3.47Å; L369-C412 HydrophobicContact CB-CB 4.12Å; L369-C412 WeakPolarHBondContact CB-O 3.46Å; L369-C412 HydrophobicContact CD2-CB 4.19Å; L369-C412 HydrophobicContact CG-CB 4.05Å; L369-C412 PolarHBondContact N-O 3.06Å; L369-I415 HydrophobicContact CB-CB 4.2Å; L369-I415 HydrophobicContact CB-CG2 4.19Å; L369-I415 HydrophobicContact CD2-CB 4.31Å; L369-I415 HydrophobicContact CD2-CD1 4.18Å; L369-I415 HydrophobicContact CD2-CG2 4.09Å; L369-I415 PolarHBondContact N-O 2.95Å; L369-M475 HydrophobicContact CD1-CG 3.94Å; L369-M475 HydrophobicContact CD1-SD 3.89Å; L369-M475 HydrophobicContact CD2-CE 4.08Å; L369-M475 HydrophobicContact CD2-CG 3.83Å; L369-M475 HydrophobicContact CD2-SD 3.63Å; L369-M475 HydrophobicContact CG-CG 4.14Å; L369-M475 HydrophobicContact CG-SD 4.3Å
370K92.8Very high90.5Very high63 Ų6376.2 Ų76.227%0.27435%0.354SS..Hα-helixtrans-67.8-40.6173.2-165.8-176.1-158.4174.80112.7T368 Y372 L373 K374 C412 D413T368-K370 PolarHBondContact O-N 3.12Å; T368-K370 PolarHBondContact OG1-N 3.45Å; K370-Y372 VanDerWaalsContact C-N 3.28Å; K370-Y372 PolarHBondContact O-N 2.9Å; K370-L373 PolarHBondContact O-N 2.69Å; K370-K374 WeakPolarHBondContact O-CB 3.3Å; K370-K374 PolarHBondContact O-N 3.16Å; K370-C412 HydrophobicContact CB-CB 3.97Å; K370-C412 PolarHBondContact N-O 3.09Å; K370-D413 WeakPolarHBondContact CD-OD1 3.48Å; K370-D413 WeakPolarHBondContact CD-OD2 3.43Å; K370-D413 IonicContact NZ-OD2 2.85Å; K370-D413 PolarHBondContact NZ-OD2 2.87Å
371M92.6Very high90.2Very high118 Ų11878.5 Ų78.558%0.58137%0.366SS*.Hα-helixtrans-61.7-38.3172.6-69.5170.668.700111.4T368 R375T368-M371 HydrophobicContact CG2-SD 4.11Å; T368-M371 WeakPolarHBondContact O-CB 3.36Å; T368-M371 PolarHBondContact O-N 3.41Å; T368-M371 VanDerWaalsContact O-N 3.14Å; T368-M371 WeakPolarHBondContact OG1-CG 3.41Å; T368-M371 PolarHBondContact OG1-N 3.35Å; T368-M371 VanDerWaalsContact OG1-N 3.11Å; M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 PolarHBondContact O-N 2.92Å
372Y92.9Very high89.9Confident65 Ų6583.3 Ų83.326%0.25538%0.384SS..Hα-helixtrans-64.7-50174.7-173.6-83.1000111.7T368 L369 K370 K374 R375 F376 I379 W387 I417T368-Y372 PolarHBondContact O-N 2.9Å; L369-Y372 WeakPolarHBondContact O-CB 3.46Å; L369-Y372 PolarHBondContact O-N 3.37Å; K370-Y372 VanDerWaalsContact C-N 3.28Å; K370-Y372 PolarHBondContact O-N 2.9Å; Y372-K374 PolarHBondContact O-N 2.84Å; Y372-R375 PolarHBondContact O-N 3.29Å; Y372-F376 HydrophobicContact CD1-CB 4.44Å; Y372-F376 AromaticContact CD1-CD2 3.96Å; Y372-F376 HydrophobicContact CD1-CD2 3.96Å; Y372-F376 AromaticContact CD2-CD2 3.49Å; Y372-F376 HydrophobicContact CD2-CD2 3.49Å; Y372-F376 VanDerWaalsContact CD2-CD2 3.49Å; Y372-F376 AromaticContact CD2-CE2 3.62Å; Y372-F376 HydrophobicContact CD2-CE2 3.62Å; Y372-F376 HydrophobicContact CE1-CB 4.04Å; Y372-F376 AromaticContact CE1-CD2 3.86Å; Y372-F376 HydrophobicContact CE1-CD2 3.86Å; Y372-F376 HydrophobicContact CE1-CG 4.25Å; Y372-F376 AromaticContact CE2-CD2 3.4Å; Y372-F376 HydrophobicContact CE2-CD2 3.4Å; Y372-F376 AromaticContact CE2-CE2 3.54Å; Y372-F376 HydrophobicContact CE2-CE2 3.54Å; Y372-F376 HydrophobicContact CE2-CG 4.29Å; Y372-F376 AromaticContact CG-CD2 3.77Å; Y372-F376 HydrophobicContact CG-CD2 3.77Å; Y372-F376 HydrophobicContact CG-CE2 4.31Å; Y372-F376 AromaticContact CZ-CD2 3.59Å; Y372-F376 WeakPolarHBondContact O-CD2 3.24Å; Y372-F376 PolarHBondContact O-N 3.32Å; Y372-I379 HydrophobicContact CD1-CG1 4.39Å; Y372-I379 HydrophobicContact CE1-CG1 4.11Å; Y372-W387 AromaticContact CD1-CH2 3.8Å; Y372-W387 HydrophobicContact CD1-CH2 3.8Å; Y372-W387 AromaticContact CD1-CZ3 3.89Å; Y372-W387 HydrophobicContact CD1-CZ3 3.89Å; Y372-W387 AromaticContact CD2-CH2 3.91Å; Y372-W387 HydrophobicContact CD2-CH2 3.91Å; Y372-W387 AromaticContact CE1-CH2 3.77Å; Y372-W387 HydrophobicContact CE1-CH2 3.77Å; Y372-W387 HydrophobicContact CE1-CZ3 4.02Å; Y372-W387 AromaticContact CE2-CH2 3.87Å; Y372-W387 HydrophobicContact CE2-CH2 3.87Å; Y372-W387 AromaticContact CG-CH2 3.89Å; Y372-W387 HydrophobicContact CG-CH2 3.89Å; Y372-W387 HydrophobicContact CG-CZ3 4.28Å; Y372-W387 AromaticContact CZ-CH2 3.81Å; Y372-I417 HydrophobicContact CD2-CD1 3.8Å; Y372-I417 HydrophobicContact CG-CD1 3.82Å
373L92.1Very high89.8Confident10 Ų1083.7 Ų83.75%0.05239%0.389CS..Hα-helixtrans-57.8-47.4177.8-78.5164.8000112L369 K370 R375 F376 K377 I379 E474 M475L369-L373 HydrophobicContact CG-CD1 4.37Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 2.98Å; K370-L373 PolarHBondContact O-N 2.69Å; L373-R375 PolarHBondContact O-N 3.47Å; L373-F376 PolarHBondContact O-N 2.96Å; L373-K377 WeakPolarHBondContact O-CA 3.42Å; L373-K377 PolarHBondContact O-N 2.81Å; L373-I379 HydrophobicContact CD2-CD1 3.66Å; L373-I379 HydrophobicContact CD2-CG1 3.83Å; L373-I379 HydrophobicContact CG-CD1 4.19Å; L373-E474 HydrophobicContact CD1-CG 4.05Å; L373-M475 HydrophobicContact CD1-CG 4.24Å
374K90.1Very high89.8Confident187 Ų18782.1 Ų82.181%0.81338%0.381SS*.Hα-helixtrans-58.1-29.4175.4-174.7173.3-179.7177.50113.3K370 Y372K370-K374 WeakPolarHBondContact O-CB 3.3Å; K370-K374 PolarHBondContact O-N 3.16Å; Y372-K374 PolarHBondContact O-N 2.84Å
375R88.2Confident89.7Confident202 Ų20283.4 Ų83.476%0.76239%0.386SS*.Hα-helixtrans-89.2-37.5-179.1-174.1171.3-176165.62.8113.9M371 Y372 L373M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 PolarHBondContact O-N 2.92Å; Y372-R375 PolarHBondContact O-N 3.29Å; L373-R375 PolarHBondContact O-N 3.47Å
376F84.4Confident89.8Confident108 Ų10879.9 Ų79.947%0.47437%0.366SS..Hα-helixtrans-112.2-12.7-168.6-63.7-71.7000114.9Y372 L373 R378Y372-F376 HydrophobicContact CD1-CB 4.44Å; Y372-F376 AromaticContact CD1-CD2 3.96Å; Y372-F376 HydrophobicContact CD1-CD2 3.96Å; Y372-F376 AromaticContact CD2-CD2 3.49Å; Y372-F376 HydrophobicContact CD2-CD2 3.49Å; Y372-F376 VanDerWaalsContact CD2-CD2 3.49Å; Y372-F376 AromaticContact CD2-CE2 3.62Å; Y372-F376 HydrophobicContact CD2-CE2 3.62Å; Y372-F376 HydrophobicContact CE1-CB 4.04Å; Y372-F376 AromaticContact CE1-CD2 3.86Å; Y372-F376 HydrophobicContact CE1-CD2 3.86Å; Y372-F376 HydrophobicContact CE1-CG 4.25Å; Y372-F376 AromaticContact CE2-CD2 3.4Å; Y372-F376 HydrophobicContact CE2-CD2 3.4Å; Y372-F376 AromaticContact CE2-CE2 3.54Å; Y372-F376 HydrophobicContact CE2-CE2 3.54Å; Y372-F376 HydrophobicContact CE2-CG 4.29Å; Y372-F376 AromaticContact CG-CD2 3.77Å; Y372-F376 HydrophobicContact CG-CD2 3.77Å; Y372-F376 HydrophobicContact CG-CE2 4.31Å; Y372-F376 AromaticContact CZ-CD2 3.59Å; Y372-F376 WeakPolarHBondContact O-CD2 3.24Å; Y372-F376 PolarHBondContact O-N 3.32Å; L373-F376 PolarHBondContact O-N 2.96Å; F376-R378 PolarHBondContact O-N 2.63Å
377K78Confident90Very high168 Ų16877.6 Ų77.673%0.7335%0.349SS*.SBendtrans57.7-32.1178.3-68.7-170.6174.5-173.70118.3L373L373-K377 WeakPolarHBondContact O-CA 3.42Å; L373-K377 PolarHBondContact O-N 2.81Å
378R82.5Confident90.2Very high226 Ų22677.1 Ų77.185%0.85334%0.344SS*.  trans-133.4128.3178.3-71.7-176.5172.5177-1.7110.4F376F376-R378 PolarHBondContact O-N 2.63Å
379I87.9Confident90.3Very high22 Ų2278.4 Ų78.411%0.11335%0.347CS..  trans-93.3137.2174.6-53-176.7000109.3L369 Y372 L373 I381 V383 L384 W387 M475L369-I379 HydrophobicContact CD1-CD1 4.17Å; Y372-I379 HydrophobicContact CD1-CG1 4.39Å; Y372-I379 HydrophobicContact CE1-CG1 4.11Å; L373-I379 HydrophobicContact CD2-CD1 3.66Å; L373-I379 HydrophobicContact CD2-CG1 3.83Å; L373-I379 HydrophobicContact CG-CD1 4.19Å; I379-I381 PolarHBondContact O-N 3.41Å; I379-V383 HydrophobicContact CG2-CB 4.01Å; I379-V383 HydrophobicContact CG2-CG1 4.01Å; I379-L384 HydrophobicContact CB-CD1 4.45Å; I379-L384 HydrophobicContact CG2-CB 3.93Å; I379-W387 HydrophobicContact CD1-CE3 4.21Å; I379-W387 HydrophobicContact CD1-CZ3 3.89Å; I379-W387 HydrophobicContact CG2-CE3 4.49Å; I379-W387 HydrophobicContact CG2-CZ3 4.34Å; I379-M475 HydrophobicContact CD1-CB 3.94Å; I379-M475 HydrophobicContact CD1-CG 3.67Å; I379-M475 HydrophobicContact CD1-SD 4.14Å
380N88.5Confident90.4Very high100 Ų10079.7 Ų79.754%0.53535%0.353SS..  trans-65.9131.2170.9-177.4-54.8000110.3K382 V383 L384N380-K382 PolarHBondContact O-N 2.95Å; N380-K382 WeakPolarHBondContact OD1-CB 3.39Å; N380-K382 PolarHBondContact OD1-N 2.74Å; N380-V383 HydrophobicContact CB-CG2 4.18Å; N380-V383 WeakPolarHBondContact O-CA 3.24Å; N380-V383 WeakPolarHBondContact O-CB 3.4Å; N380-V383 PolarHBondContact O-N 2.73Å; N380-L384 PolarHBondContact O-N 3.3Å
381I88.1Confident90.6Very high47 Ų4776.7 Ų76.724%0.24134%0.34CS..Hα-helixtrans-50.1-34-178-174.856.7000114.3I379 L384 K385 Y511 I514 F540I379-I381 PolarHBondContact O-N 3.41Å; I381-L384 HydrophobicContact CD1-CD2 4.26Å; I381-K385 HydrophobicContact CD1-CG 4.4Å; I381-K385 WeakPolarHBondContact O-CB 3.29Å; I381-K385 WeakPolarHBondContact O-CG 3.46Å; I381-K385 PolarHBondContact O-N 3.41Å; I381-Y511 HydrophobicContact CD1-CE1 4.46Å; I381-Y511 HydrophobicContact CG1-CE1 4.19Å; I381-I514 HydrophobicContact CD1-CD1 3.66Å; I381-F540 HydrophobicContact CD1-CE2 4.01Å; I381-F540 HydrophobicContact CD1-CZ 3.78Å
382K87.4Confident90.9Very high128 Ų12871 Ų7156%0.55731%0.313SS*.Hα-helixtrans-68.3-40.3175.9-67.1-172174.1-173.30112.6N380 S386N380-K382 PolarHBondContact O-N 2.95Å; N380-K382 WeakPolarHBondContact OD1-CB 3.39Å; N380-K382 PolarHBondContact OD1-N 2.74Å; K382-S386 WeakPolarHBondContact O-CB 3.42Å; K382-S386 PolarHBondContact O-N 2.98Å; K382-S386 VanDerWaalsContact O-N 3.09Å
383V91.1Very high91.1Very high49 Ų4972.8 Ų72.830%0.29732%0.322SS..Hα-helixtrans-67.4-45.8175.5178.30000109.5I379 N380 K385 S386 W387I379-V383 HydrophobicContact CG2-CB 4.01Å; I379-V383 HydrophobicContact CG2-CG1 4.01Å; N380-V383 HydrophobicContact CB-CG2 4.18Å; N380-V383 WeakPolarHBondContact O-CA 3.24Å; N380-V383 WeakPolarHBondContact O-CB 3.4Å; N380-V383 PolarHBondContact O-N 2.73Å; V383-K385 PolarHBondContact O-N 2.97Å; V383-S386 CarbonylContact O-C 3.59Å; V383-S386 WeakPolarHBondContact O-CA 3.14Å; V383-S386 WeakPolarHBondContact O-CB 3.4Å; V383-S386 PolarHBondContact O-N 3.07Å; V383-W387 HydrophobicContact CG1-CD2 3.67Å; V383-W387 VanDerWaalsContact CG1-CE2 3.41Å; V383-W387 HydrophobicContact CG1-CE3 4Å; V383-W387 HydrophobicContact CG1-CG 4.28Å; V383-W387 HydrophobicContact CG1-CH2 3.92Å; V383-W387 HydrophobicContact CG1-CZ2 3.57Å; V383-W387 HydrophobicContact CG1-CZ3 4.12Å; V383-W387 PolarHBondContact O-N 3.25Å
384L93.5Very high91.3Very high6 Ų672.3 Ų72.33%0.03132%0.319CS..Hα-helixtrans-57.4-50.6176.9-172.3145.4000111.9I379 N380 I381 S386 W387 C388 L472 M475 V476 F540I379-L384 HydrophobicContact CB-CD1 4.45Å; I379-L384 HydrophobicContact CG2-CB 3.93Å; N380-L384 PolarHBondContact O-N 3.3Å; I381-L384 HydrophobicContact CD1-CD2 4.26Å; L384-S386 VanDerWaalsContact C-N 3.27Å; L384-S386 PolarHBondContact O-N 3.1Å; L384-W387 PolarHBondContact O-N 3.22Å; L384-C388 WeakPolarHBondContact O-CB 3.45Å; L384-C388 PolarHBondContact O-N 3.16Å; L384-C388 PolarHBondContact O-SG 3.19Å; L384-L472 HydrophobicContact CD2-CD1 3.8Å; L384-M475 HydrophobicContact CD1-CB 3.92Å; L384-V476 HydrophobicContact CD1-CG2 3.74Å; L384-F540 HydrophobicContact CD2-CE1 4.42Å; L384-F540 HydrophobicContact CD2-CZ 4.23Å
385K92.1Very high91.6Very high53 Ų5363.4 Ų63.423%0.2328%0.28CS..Hα-helixtrans-56-40.1172.8-78.9-173.1171.2-153.40112.7I381 V383 R389 F540I381-K385 HydrophobicContact CD1-CG 4.4Å; I381-K385 WeakPolarHBondContact O-CB 3.29Å; I381-K385 WeakPolarHBondContact O-CG 3.46Å; I381-K385 PolarHBondContact O-N 3.41Å; V383-K385 PolarHBondContact O-N 2.97Å; K385-R389 WeakPolarHBondContact O-CB 3.06Å; K385-R389 PolarHBondContact O-N 3.37Å; K385-R389 VanDerWaalsContact O-N 3.16Å; K385-F540 HydrophobicContact CD-CD2 4.47Å; K385-F540 HydrophobicContact CD-CE2 4.24Å; K385-F540 HydrophobicContact CD-CZ 4.24Å; K385-F540 WeakPolarHBondContact CD-O 3.21Å; K385-F540 VanDerWaalsContact CE-O 3.26Å; K385-F540 WeakPolarHBondContact CE-O 3.23Å; K385-F540 HydrophobicContact CG-CD1 4.26Å; K385-F540 HydrophobicContact CG-CE1 3.7Å; K385-F540 HydrophobicContact CG-CE2 4.12Å; K385-F540 HydrophobicContact CG-CZ 3.6Å; K385-F540 PolarHBondContact NZ-O 3.47Å; K385-F540 VanDerWaalsContact NZ-O 3.15Å
386S92.4Very high92Very high44 Ų4455 Ų5531%0.30825%0.253SS..Hα-helixtrans-68.5-46.3179.5-1660000112.5K382 V383 L384 R389 Q390K382-S386 WeakPolarHBondContact O-CB 3.42Å; K382-S386 PolarHBondContact O-N 2.98Å; K382-S386 VanDerWaalsContact O-N 3.09Å; V383-S386 CarbonylContact O-C 3.59Å; V383-S386 WeakPolarHBondContact O-CA 3.14Å; V383-S386 WeakPolarHBondContact O-CB 3.4Å; V383-S386 PolarHBondContact O-N 3.07Å; L384-S386 VanDerWaalsContact C-N 3.27Å; L384-S386 PolarHBondContact O-N 3.1Å; S386-R389 WeakPolarHBondContact O-CB 3.18Å; S386-Q390 VanDerWaalsContact O-CG 3.23Å; S386-Q390 WeakPolarHBondContact O-CG 3.32Å; S386-Q390 PolarHBondContact O-N 3.3Å; S386-Q390 VanDerWaalsContact O-N 3.14Å; S386-Q390 PolarHBondContact O-NE2 3.27Å; S386-Q390 VanDerWaalsContact O-NE2 3.12Å; S386-Q390 PolarHBondContact OG-NE2 3.08Å; S386-Q390 VanDerWaalsContact OG-NE2 3.07Å
387W95.6Very high92.5Very high10 Ų1051.3 Ų51.34%0.03824%0.237CC..Hα-helixtrans-67.2-41.5178.6-69.6-9.9000112L369 Y372 I379 V383 L384 R389 Q390 I391 I417 G422 V424 M475L369-W387 HydrophobicContact CD1-CE3 3.56Å; L369-W387 HydrophobicContact CD1-CZ3 3.47Å; L369-W387 VanDerWaalsContact CD1-CZ3 3.47Å; Y372-W387 AromaticContact CD1-CH2 3.8Å; Y372-W387 HydrophobicContact CD1-CH2 3.8Å; Y372-W387 AromaticContact CD1-CZ3 3.89Å; Y372-W387 HydrophobicContact CD1-CZ3 3.89Å; Y372-W387 AromaticContact CD2-CH2 3.91Å; Y372-W387 HydrophobicContact CD2-CH2 3.91Å; Y372-W387 AromaticContact CE1-CH2 3.77Å; Y372-W387 HydrophobicContact CE1-CH2 3.77Å; Y372-W387 HydrophobicContact CE1-CZ3 4.02Å; Y372-W387 AromaticContact CE2-CH2 3.87Å; Y372-W387 HydrophobicContact CE2-CH2 3.87Å; Y372-W387 AromaticContact CG-CH2 3.89Å; Y372-W387 HydrophobicContact CG-CH2 3.89Å; Y372-W387 HydrophobicContact CG-CZ3 4.28Å; Y372-W387 AromaticContact CZ-CH2 3.81Å; I379-W387 HydrophobicContact CD1-CE3 4.21Å; I379-W387 HydrophobicContact CD1-CZ3 3.89Å; I379-W387 HydrophobicContact CG2-CE3 4.49Å; I379-W387 HydrophobicContact CG2-CZ3 4.34Å; V383-W387 HydrophobicContact CG1-CD2 3.67Å; V383-W387 VanDerWaalsContact CG1-CE2 3.41Å; V383-W387 HydrophobicContact CG1-CE3 4Å; V383-W387 HydrophobicContact CG1-CG 4.28Å; V383-W387 HydrophobicContact CG1-CH2 3.92Å; V383-W387 HydrophobicContact CG1-CZ2 3.57Å; V383-W387 HydrophobicContact CG1-CZ3 4.12Å; V383-W387 PolarHBondContact O-N 3.25Å; L384-W387 PolarHBondContact O-N 3.22Å; W387-R389 PolarHBondContact O-N 3.37Å; W387-Q390 WeakPolarHBondContact O-CB 3.32Å; W387-Q390 PolarHBondContact O-N 2.96Å; W387-Q390 VanDerWaalsContact O-N 3.08Å; W387-I391 WeakPolarHBondContact O-CD1 3.27Å; W387-I391 VanDerWaalsContact O-CG1 3.32Å; W387-I391 WeakPolarHBondContact O-CG1 3.46Å; W387-I391 PolarHBondContact O-N 3.12Å; W387-I417 HydrophobicContact CH2-CD1 3.69Å; W387-I417 HydrophobicContact CH2-CG1 4.39Å; W387-I417 HydrophobicContact CZ2-CD1 4.05Å; W387-I417 HydrophobicContact CZ2-CG1 4.33Å; W387-I417 HydrophobicContact CZ2-CG2 4.47Å; W387-I417 HydrophobicContact CZ3-CD1 4.27Å; W387-G422 PolarHBondContact NE1-O 2.91Å; W387-V424 HydrophobicContact CB-CG1 4.23Å; W387-V424 HydrophobicContact CB-CG2 4.03Å; W387-V424 HydrophobicContact CD2-CG1 3.92Å; W387-V424 HydrophobicContact CG-CG1 3.71Å; W387-V424 HydrophobicContact CG-CG2 4.21Å; W387-M475 HydrophobicContact CE3-SD 4.37Å
388C96.9Very high93.2Very high0 Ų043.3 Ų43.30%020%0.202CC..Hα-helixtrans-61.7-45.5176.3-65.90000112.3L384 Q390 I391 L392 F468 M475 F541L384-C388 WeakPolarHBondContact O-CB 3.45Å; L384-C388 PolarHBondContact O-N 3.16Å; L384-C388 PolarHBondContact O-SG 3.19Å; C388-Q390 PolarHBondContact O-N 3.5Å; C388-I391 PolarHBondContact O-N 3.35Å; C388-L392 WeakPolarHBondContact O-CB 3.3Å; C388-L392 VanDerWaalsContact O-CG 3.3Å; C388-L392 WeakPolarHBondContact O-CG 3.43Å; C388-L392 PolarHBondContact O-N 3.31Å; C388-F468 HydrophobicContact CB-CE2 4Å; C388-F468 HydrophobicContact CB-CZ 4.03Å; C388-M475 WeakPolarHBondContact SG-CE 3.45Å; C388-F541 HydrophobicContact CB-CD1 3.92Å; C388-F541 HydrophobicContact CB-CE1 3.22Å; C388-F541 HydrophobicContact CB-CZ 3.92Å
389R95.3Very high93.7Very high40 Ų4033.9 Ų33.915%0.15117%0.167CC..Hα-helixtrans-52.2-43.5170-96.6-172.6-74.8-88.24.6112.7K385 S386 W387 K393 F541 T542K385-R389 WeakPolarHBondContact O-CB 3.06Å; K385-R389 PolarHBondContact O-N 3.37Å; K385-R389 VanDerWaalsContact O-N 3.16Å; S386-R389 WeakPolarHBondContact O-CB 3.18Å; W387-R389 PolarHBondContact O-N 3.37Å; R389-K393 WeakPolarHBondContact O-CB 3.49Å; R389-K393 VanDerWaalsContact O-CG 3.32Å; R389-K393 WeakPolarHBondContact O-CG 3.44Å; R389-K393 PolarHBondContact O-N 3.45Å; R389-F541 WeakPolarHBondContact CD-O 3.12Å; R389-F541 HydrophobicContact CG-CB 4.17Å; R389-F541 WeakPolarHBondContact CG-O 3.44Å; R389-F541 PolarHBondContact NH1-O 3.41Å; R389-T542 VanDerWaalsContact NH1-C 3.3Å; R389-T542 PolarHBondContact NH1-O 3.17Å
390Q96.5Very high93.9Very high27 Ų2735.9 Ų35.913%0.12618%0.18CC..Hα-helixtrans-70.7-40.7-176.5-75.8173.663.100111.9N337 S386 W387 C388 K393 G394 V424N337-Q390 HydrophobicContact CB-CB 4.4Å; N337-Q390 WeakPolarHBondContact CB-O 3.22Å; N337-Q390 WeakPolarHBondContact ND2-CB 3.22Å; N337-Q390 WeakPolarHBondContact ND2-CG 3.19Å; N337-Q390 PolarHBondContact ND2-OE1 2.75Å; S386-Q390 VanDerWaalsContact O-CG 3.23Å; S386-Q390 WeakPolarHBondContact O-CG 3.32Å; S386-Q390 PolarHBondContact O-N 3.3Å; S386-Q390 VanDerWaalsContact O-N 3.14Å; S386-Q390 PolarHBondContact O-NE2 3.27Å; S386-Q390 VanDerWaalsContact O-NE2 3.12Å; S386-Q390 PolarHBondContact OG-NE2 3.08Å; S386-Q390 VanDerWaalsContact OG-NE2 3.07Å; W387-Q390 WeakPolarHBondContact O-CB 3.32Å; W387-Q390 PolarHBondContact O-N 2.96Å; W387-Q390 VanDerWaalsContact O-N 3.08Å; C388-Q390 PolarHBondContact O-N 3.5Å; Q390-K393 PolarHBondContact O-N 3.41Å; Q390-G394 PolarHBondContact O-N 3.21Å; Q390-V424 HydrophobicContact CB-CG2 3.49Å; Q390-V424 VanDerWaalsContact CB-CG2 3.49Å; Q390-V424 HydrophobicContact CG-CG2 4.46Å
391I97.8Very high93.9Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-61.5-49.8171.5-62155.3000109.7W387 C388 K393 G394 L395 L410 I415 V424 I426 F468 M475W387-I391 WeakPolarHBondContact O-CD1 3.27Å; W387-I391 VanDerWaalsContact O-CG1 3.32Å; W387-I391 WeakPolarHBondContact O-CG1 3.46Å; W387-I391 PolarHBondContact O-N 3.12Å; C388-I391 PolarHBondContact O-N 3.35Å; I391-K393 VanDerWaalsContact C-N 3.32Å; I391-K393 PolarHBondContact O-N 2.66Å; I391-G394 WeakPolarHBondContact O-CA 3.21Å; I391-G394 PolarHBondContact O-N 2.91Å; I391-L395 HydrophobicContact CG2-CD1 4.27Å; I391-L395 HydrophobicContact CG2-CG 4.41Å; I391-L395 WeakPolarHBondContact O-CG 3.47Å; I391-L395 PolarHBondContact O-N 3.28Å; I391-L410 HydrophobicContact CG2-CD2 4.49Å; I391-I415 HydrophobicContact CD1-CD1 3.87Å; I391-I415 HydrophobicContact CD1-CG2 4.24Å; I391-I415 HydrophobicContact CG1-CD1 4.17Å; I391-I415 HydrophobicContact CG1-CG2 4.17Å; I391-I415 HydrophobicContact CG2-CD1 4.5Å; I391-V424 HydrophobicContact CG1-CG2 4.12Å; I391-I426 HydrophobicContact CG2-CD1 4.06Å; I391-F468 HydrophobicContact CB-CD2 4.33Å; I391-F468 HydrophobicContact CB-CE2 4.43Å; I391-F468 HydrophobicContact CG2-CD2 3.81Å; I391-F468 HydrophobicContact CG2-CE2 4.4Å; I391-M475 HydrophobicContact CD1-CE 4.1Å
392L97.6Very high93.6Very high0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-60.5-37.2177.9-70.2169.6000112.9C388 S396 F468 V532 L535 L536 F541C388-L392 WeakPolarHBondContact O-CB 3.3Å; C388-L392 VanDerWaalsContact O-CG 3.3Å; C388-L392 WeakPolarHBondContact O-CG 3.43Å; C388-L392 PolarHBondContact O-N 3.31Å; L392-S396 WeakPolarHBondContact O-CB 3.48Å; L392-S396 PolarHBondContact O-N 3.25Å; L392-F468 HydrophobicContact CD1-CE1 4.2Å; L392-F468 HydrophobicContact CD1-CE2 4.23Å; L392-F468 HydrophobicContact CD1-CZ 3.72Å; L392-F468 HydrophobicContact CD2-CD1 3.94Å; L392-F468 HydrophobicContact CD2-CD2 4.14Å; L392-F468 HydrophobicContact CD2-CE1 3.83Å; L392-F468 HydrophobicContact CD2-CE2 4.02Å; L392-F468 HydrophobicContact CD2-CG 4.1Å; L392-F468 HydrophobicContact CD2-CZ 3.86Å; L392-F468 HydrophobicContact CG-CD2 4.27Å; L392-F468 HydrophobicContact CG-CE1 4.19Å; L392-F468 HydrophobicContact CG-CE2 3.75Å; L392-F468 HydrophobicContact CG-CZ 3.71Å; L392-V532 HydrophobicContact CB-CG1 4.29Å; L392-V532 HydrophobicContact CD2-CG1 4.01Å; L392-V532 WeakPolarHBondContact O-CG1 3.37Å; L392-L535 HydrophobicContact CD1-CB 3.87Å; L392-L535 HydrophobicContact CD2-CB 3.85Å; L392-L535 HydrophobicContact CD2-CD1 3.8Å; L392-L535 HydrophobicContact CD2-CG 4.49Å; L392-L536 HydrophobicContact CB-CD2 3.6Å; L392-L536 HydrophobicContact CB-CG 3.93Å; L392-F541 HydrophobicContact CD1-CD1 4.45Å; L392-F541 HydrophobicContact CD1-CD2 3.8Å; L392-F541 HydrophobicContact CD1-CE2 3.91Å; L392-F541 HydrophobicContact CD1-CG 4.08Å; L392-F541 HydrophobicContact CD1-CZ 4.33Å
393K96.9Very high93.4Very high102 Ų10236.7 Ų36.744%0.44319%0.188SC..Hα-helixtrans-64.6-42.8171.6-78-179.4176.7-171.50111.9R389 Q390 I391 S396 F397 L536R389-K393 WeakPolarHBondContact O-CB 3.49Å; R389-K393 VanDerWaalsContact O-CG 3.32Å; R389-K393 WeakPolarHBondContact O-CG 3.44Å; R389-K393 PolarHBondContact O-N 3.45Å; Q390-K393 PolarHBondContact O-N 3.41Å; I391-K393 VanDerWaalsContact C-N 3.32Å; I391-K393 PolarHBondContact O-N 2.66Å; K393-S396 PolarHBondContact O-N 2.97Å; K393-F397 WeakPolarHBondContact O-CB 3.32Å; K393-F397 PolarHBondContact O-N 3.45Å; K393-L536 HydrophobicContact CG-CD2 3.99Å
394G96.6Very high93.1Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-58.4-50.9173.800000112.4Q390 I391 F397 L398Q390-G394 PolarHBondContact O-N 3.21Å; I391-G394 WeakPolarHBondContact O-CA 3.21Å; I391-G394 PolarHBondContact O-N 2.91Å; G394-F397 WeakPolarHBondContact O-CB 3.36Å; G394-F397 PolarHBondContact O-N 2.89Å; G394-L398 WeakPolarHBondContact O-CG 3.36Å; G394-L398 PolarHBondContact O-N 3.4Å; G394-L398 VanDerWaalsContact O-N 3.12Å
395L96.3Very high92.7Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-60.8-46.4176.3-65.2-179.3000112I391 F397 L398 H399 H407 L410 I426 D464 F468 V532I391-L395 HydrophobicContact CG2-CD1 4.27Å; I391-L395 HydrophobicContact CG2-CG 4.41Å; I391-L395 WeakPolarHBondContact O-CG 3.47Å; I391-L395 PolarHBondContact O-N 3.28Å; L395-F397 VanDerWaalsContact C-N 3.26Å; L395-F397 PolarHBondContact O-N 3.34Å; L395-L398 PolarHBondContact O-N 2.88Å; L395-H399 WeakPolarHBondContact O-CB 3.45Å; L395-H399 PolarHBondContact O-N 3.14Å; L395-H399 PolarHBondContact O-ND1 2.98Å; L395-H407 HydrophobicContact CD2-CB 4.47Å; L395-L410 HydrophobicContact CD1-CD2 3.87Å; L395-L410 HydrophobicContact CD2-CD1 4.49Å; L395-L410 HydrophobicContact CD2-CD2 4.13Å; L395-L410 HydrophobicContact CG-CD2 4.48Å; L395-I426 HydrophobicContact CD2-CD1 3.94Å; L395-I426 HydrophobicContact CG-CD1 4.04Å; L395-D464 HydrophobicContact CD1-CB 4.22Å; L395-D464 HydrophobicContact CD2-CB 3.97Å; L395-F468 HydrophobicContact CD1-CB 4.2Å; L395-V532 HydrophobicContact CB-CG1 4.17Å; L395-V532 HydrophobicContact CB-CG2 4.19Å
396S96Very high92.5Very high26 Ų2633.2 Ų33.218%0.18217%0.171CC..Hα-helixtrans-58.3-38.2177-171.50000112.3L392 K393 T400L392-S396 WeakPolarHBondContact O-CB 3.48Å; L392-S396 PolarHBondContact O-N 3.25Å; K393-S396 PolarHBondContact O-N 2.97Å; S396-T400 WeakPolarHBondContact O-CB 3.46Å; S396-T400 VanDerWaalsContact O-CG2 3.22Å; S396-T400 WeakPolarHBondContact O-CG2 3.23Å; S396-T400 PolarHBondContact O-N 3.36Å; S396-T400 VanDerWaalsContact O-N 3.08Å; S396-T400 PolarHBondContact O-OG1 3.08Å
397F95.7Very high92.2Very high30 Ų3031.3 Ų31.313%0.13216%0.158CC..Hα-helixtrans-64.1-43.2173.9172.3-97.9000112.5L333 Q334 H335 I338 K393 G394 L395 T400 R401L333-F397 HydrophobicContact CB-CE1 4.21Å; L333-F397 HydrophobicContact CD2-CE1 3.78Å; L333-F397 HydrophobicContact CD2-CZ 4.22Å; Q334-F397 VanDerWaalsContact O-CZ 3.29Å; Q334-F397 WeakPolarHBondContact O-CZ 3.44Å; H335-F397 HydrophobicContact CB-CB 4.38Å; H335-F397 HydrophobicContact CB-CD1 3.53Å; H335-F397 HydrophobicContact CB-CD2 3.94Å; H335-F397 HydrophobicContact CB-CE1 3.64Å; H335-F397 HydrophobicContact CB-CE2 4.04Å; H335-F397 HydrophobicContact CB-CG 3.68Å; H335-F397 HydrophobicContact CB-CZ 3.9Å; H335-F397 AromaticContact CD2-CD2 3.86Å; H335-F397 AromaticContact CD2-CG 3.82Å; H335-F397 AromaticContact CG-CD1 3.99Å; H335-F397 AromaticContact CG-CG 3.72Å; I338-F397 HydrophobicContact CG1-CD1 4.05Å; I338-F397 HydrophobicContact CG1-CE1 4.48Å; K393-F397 WeakPolarHBondContact O-CB 3.32Å; K393-F397 PolarHBondContact O-N 3.45Å; G394-F397 WeakPolarHBondContact O-CB 3.36Å; G394-F397 PolarHBondContact O-N 2.89Å; L395-F397 VanDerWaalsContact C-N 3.26Å; L395-F397 PolarHBondContact O-N 3.34Å; F397-T400 PolarHBondContact O-OG1 3.14Å; F397-R401 PolarHBondContact O-NE 3.16Å
398L92.8Very high91.5Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-66.9-46.9177.2-64.1172.3000112.2L333 I338 G394 L395 T400 R401 V405 L429L333-L398 HydrophobicContact CD1-CD2 3.86Å; I338-L398 HydrophobicContact CD1-CD1 3.84Å; I338-L398 HydrophobicContact CD1-CD2 4.19Å; I338-L398 HydrophobicContact CD1-CG 3.95Å; G394-L398 WeakPolarHBondContact O-CG 3.36Å; G394-L398 PolarHBondContact O-N 3.4Å; G394-L398 VanDerWaalsContact O-N 3.12Å; L395-L398 PolarHBondContact O-N 2.88Å; L398-T400 PolarHBondContact O-N 3.3Å; L398-R401 WeakPolarHBondContact O-CB 3.38Å; L398-R401 WeakPolarHBondContact O-CG 3.41Å; L398-R401 PolarHBondContact O-N 3.31Å; L398-R401 VanDerWaalsContact O-N 3.15Å; L398-V405 CarbonylContact C-O 3.46Å; L398-V405 HydrophobicContact CB-CB 4.18Å; L398-V405 WeakPolarHBondContact CB-O 3.44Å; L398-V405 HydrophobicContact CD2-CB 4.25Å; L398-V405 HydrophobicContact CD2-CG1 4.08Å; L398-V405 PolarHBondContact O-N 3.48Å; L398-L429 HydrophobicContact CD1-CD1 4.49Å; L398-L429 HydrophobicContact CD1-CD2 3.88Å; L398-L429 HydrophobicContact CD2-CD1 3.94Å; L398-L429 HydrophobicContact CD2-CD2 4.4Å
399H92.9Very high90.8Very high28 Ų2833.6 Ų33.613%0.1317%0.169CC..Hα-helixtrans-68-19.1179.5-59.2163.1000113.4L395 V405 E461 D464L395-H399 WeakPolarHBondContact O-CB 3.45Å; L395-H399 PolarHBondContact O-N 3.14Å; L395-H399 PolarHBondContact O-ND1 2.98Å; H399-V405 PolarHBondContact CD2-O 3.1Å; H399-E461 HydrophobicContact CB-CB 4.46Å; H399-D464 IonicContact CD2-OD2 3.58Å; H399-D464 IonicContact CE1-OD2 2.77Å; H399-D464 IonicContact NE2-OD2 3.11Å; H399-D464 PolarHBondContact NE2-OD2 3.05Å
400T91.8Very high90.6Very high63 Ų6331.8 Ų31.839%0.38716%0.162SC..THydrogen-bonded Turntrans-99.213.1174.557.80000114S396 F397 L398S396-T400 WeakPolarHBondContact O-CB 3.46Å; S396-T400 VanDerWaalsContact O-CG2 3.22Å; S396-T400 WeakPolarHBondContact O-CG2 3.23Å; S396-T400 PolarHBondContact O-N 3.36Å; S396-T400 VanDerWaalsContact O-N 3.08Å; S396-T400 PolarHBondContact O-OG1 3.08Å; F397-T400 PolarHBondContact O-OG1 3.14Å; L398-T400 PolarHBondContact O-N 3.3Å
401R89.5Confident90.4Very high85 Ų8531.3 Ų31.332%0.32116%0.16SC..SBendtrans-73.3161.8165.2-61.1-53.686.1-165.7-4.1110.6L333 F397 L398 P403 P404 V405L333-R401 HydrophobicContact CD2-CG 3.77Å; F397-R401 PolarHBondContact O-NE 3.16Å; L398-R401 WeakPolarHBondContact O-CB 3.38Å; L398-R401 WeakPolarHBondContact O-CG 3.41Å; L398-R401 PolarHBondContact O-N 3.31Å; L398-R401 VanDerWaalsContact O-N 3.15Å; R401-P403 VanDerWaalsContact C-C 3.41Å; R401-P403 CarbonylContact C-O 3.39Å; R401-P403 WeakPolarHBondContact CB-O 3.42Å; R401-P403 CarbonylContact O-C 3.56Å; R401-P404 WeakPolarHBondContact O-CA 3.47Å; R401-P404 VanDerWaalsContact O-N 3.07Å; R401-V405 HydrophobicContact CB-CG2 4.11Å; R401-V405 HydrophobicContact CG-CG2 4.05Å
402N82Confident90.2Very high162 Ų16231.3 Ų31.387%0.86616%0.16SC*.SBendtrans-120.6106.5173.9-100.577.3000109.5
403P81.2Confident89.9Confident46 Ų4633.8 Ų33.830%0.29917%0.173SC..SBendcis-67.9162.7-7.331.7-37.4000113M329 R401 L434M329-P403 HydrophobicContact CE-CG 3.88Å; R401-P403 VanDerWaalsContact C-C 3.41Å; R401-P403 CarbonylContact C-O 3.39Å; R401-P403 WeakPolarHBondContact CB-O 3.42Å; R401-P403 CarbonylContact O-C 3.56Å; P403-L434 HydrophobicContact CG-CD2 4.29Å
404P86.2Confident89.7Confident32 Ų3229.3 Ų29.321%0.20815%0.154CC..PPolyproline II helixtrans-60.1136.3175.9-27.136.6000112.9R401R401-P404 WeakPolarHBondContact O-CA 3.47Å; R401-P404 VanDerWaalsContact O-N 3.07Å
405V85.2Confident89.6Confident2 Ų229.3 Ų29.31%0.01215%0.154CC..BIsolated β-bridgetrans-95.6124.5172.6-1800000108M329 L398 H399 R401 A432 L434M329-V405 HydrophobicContact SD-CG2 3.99Å; L398-V405 CarbonylContact C-O 3.46Å; L398-V405 HydrophobicContact CB-CB 4.18Å; L398-V405 WeakPolarHBondContact CB-O 3.44Å; L398-V405 HydrophobicContact CD2-CB 4.25Å; L398-V405 HydrophobicContact CD2-CG1 4.08Å; L398-V405 PolarHBondContact O-N 3.48Å; H399-V405 PolarHBondContact CD2-O 3.1Å; R401-V405 HydrophobicContact CB-CG2 4.11Å; R401-V405 HydrophobicContact CG-CG2 4.05Å; V405-A432 HydrophobicContact CG1-CB 4.39Å; V405-L434 HydrophobicContact CG2-CD2 3.98Å
406I86.5Confident89.6Confident0 Ų031.2 Ų31.20%016%0.162CC..  trans-106.3132.4175.9-56.9165.8000107.1R408 A432 K435 V463I406-R408 HydrophobicContact CB-CG 4.22Å; I406-R408 HydrophobicContact CG2-CG 3.8Å; I406-A432 WeakPolarHBondContact O-CB 3.5Å; I406-K435 HydrophobicContact CD1-CB 3.73Å; I406-K435 HydrophobicContact CD1-CD 4.04Å; I406-K435 HydrophobicContact CD1-CG 3.73Å; I406-K435 HydrophobicContact CG1-CB 4.42Å; I406-V463 HydrophobicContact CG2-CG2 3.66Å
407H87.7Confident89.6Confident4 Ų430.6 Ų30.62%0.01916%0.157CC..  trans-71.9-40.5-175.1-170.3-64.2000112.7L395 D409 L410 I426 G427 L429 D464L395-H407 HydrophobicContact CD2-CB 4.47Å; H407-D409 VanDerWaalsContact CE1-C 3.47Å; H407-D409 PolarHBondContact CE1-O 3.31Å; H407-D409 PolarHBondContact ND1-N 3.49Å; H407-D409 PolarHBondContact ND1-O 2.93Å; H407-D409 PolarHBondContact O-N 2.93Å; H407-L410 HydrophobicContact CB-CB 4.45Å; H407-L410 PolarHBondContact ND1-N 3.34Å; H407-L410 VanDerWaalsContact ND1-N 3.17Å; H407-I426 WeakPolarHBondContact CD2-CG2 3.2Å; H407-I426 WeakPolarHBondContact NE2-CG2 3.41Å; H407-G427 PolarHBondContact NE2-O 3.16Å; H407-L429 VanDerWaalsContact CD2-CD2 3.42Å; H407-L429 WeakPolarHBondContact CD2-CD2 3.38Å; H407-D464 WeakPolarHBondContact CB-OD1 3.42Å; H407-D464 PolarHBondContact N-OD1 3.21Å; H407-D464 PolarHBondContact N-OD2 2.98Å
408R80.3Confident89.5Confident26 Ų2630.2 Ų30.210%0.09816%0.157CC..SBendtrans68.2-44.5176.8-50.7174.4-172.2-136-1.3115I406 T433 L434 M454 Y459 D464I406-R408 HydrophobicContact CB-CG 4.22Å; I406-R408 HydrophobicContact CG2-CG 3.8Å; R408-T433 WeakPolarHBondContact CD-OG1 3.46Å; R408-T433 VanDerWaalsContact CZ-C 3.48Å; R408-T433 PolarHBondContact NE-O 2.74Å; R408-T433 PolarHBondContact NE-OG1 2.81Å; R408-T433 VanDerWaalsContact NE-OG1 3.11Å; R408-T433 PolarHBondContact NH1-OG1 3.39Å; R408-T433 VanDerWaalsContact NH1-OG1 3.15Å; R408-T433 PolarHBondContact NH2-O 3.34Å; R408-L434 PolarHBondContact NH2-O 2.99Å; R408-M454 HydrophobicContact CB-SD 4.28Å; R408-M454 VanDerWaalsContact O-CE 3.23Å; R408-M454 WeakPolarHBondContact O-CE 3.43Å; R408-Y459 HydrophobicContact CG-CE2 3.88Å; R408-Y459 VanDerWaalsContact CZ-CE2 3.5Å; R408-Y459 VanDerWaalsContact NH1-CZ 3.3Å; R408-Y459 PolarHBondContact NH1-OH 2.99Å; R408-D464 PolarHBondContact N-OD1 2.96Å
409D82.8Confident88.9Confident33 Ų3332.8 Ų32.818%0.17618%0.183CC..SBendtrans-109.148177.3-168.440.1000112.8H407 K411 N414H407-D409 VanDerWaalsContact CE1-C 3.47Å; H407-D409 PolarHBondContact CE1-O 3.31Å; H407-D409 PolarHBondContact ND1-N 3.49Å; H407-D409 PolarHBondContact ND1-O 2.93Å; H407-D409 PolarHBondContact O-N 2.93Å; D409-K411 IonicContact OD1-NZ 2.69Å; D409-K411 PolarHBondContact OD1-NZ 3.07Å; D409-K411 IonicContact OD2-NZ 3.62Å; D409-K411 PolarHBondContact OD2-NZ 3.12Å; D409-N414 PolarHBondContact O-ND2 3.03Å; D409-N414 PolarHBondContact OD2-ND2 2.94Å
410L91.3Very high88.2Confident1 Ų137.8 Ų37.81%0.00522%0.216CC..  trans-77.6125179.3-175.775000110.1I391 L395 H407 I415 I426 A467 F468I391-L410 HydrophobicContact CG2-CD2 4.49Å; L395-L410 HydrophobicContact CD1-CD2 3.87Å; L395-L410 HydrophobicContact CD2-CD1 4.49Å; L395-L410 HydrophobicContact CD2-CD2 4.13Å; L395-L410 HydrophobicContact CG-CD2 4.48Å; H407-L410 HydrophobicContact CB-CB 4.45Å; H407-L410 PolarHBondContact ND1-N 3.34Å; H407-L410 VanDerWaalsContact ND1-N 3.17Å; L410-I415 HydrophobicContact CD1-CD1 4.19Å; L410-I415 HydrophobicContact CD1-CG1 4.13Å; L410-I426 HydrophobicContact CD1-CD1 4.37Å; L410-I426 HydrophobicContact CD1-CG2 3.72Å; L410-A467 HydrophobicContact CB-CB 3.83Å; L410-A467 HydrophobicContact CD2-CB 4.19Å; L410-A467 HydrophobicContact CG-CB 4.4Å; L410-A467 WeakPolarHBondContact O-CB 3.4Å; L410-F468 HydrophobicContact CD2-CB 4.18Å
411K91.5Very high87.5Confident17 Ų1739.5 Ų39.57%0.07423%0.226CC..SBendtrans-159.8165.6178.151.2170.9171.1-102.40111.5D409 D413 N414 I415 T446 F449 C471D409-K411 IonicContact OD1-NZ 2.69Å; D409-K411 PolarHBondContact OD1-NZ 3.07Å; D409-K411 IonicContact OD2-NZ 3.62Å; D409-K411 PolarHBondContact OD2-NZ 3.12Å; K411-D413 HydrophobicContact CD-CB 4.03Å; K411-D413 HydrophobicContact CG-CB 4.23Å; K411-D413 PolarHBondContact O-N 3.41Å; K411-D413 VanDerWaalsContact O-N 3.1Å; K411-N414 HydrophobicContact CG-CB 4.21Å; K411-N414 PolarHBondContact O-N 3.31Å; K411-I415 WeakPolarHBondContact O-CG1 3.4Å; K411-I415 PolarHBondContact O-N 3.24Å; K411-T446 PolarHBondContact NZ-OG1 2.84Å; K411-F449 HydrophobicContact CB-CD1 4.25Å; K411-F449 HydrophobicContact CB-CD2 3.64Å; K411-F449 HydrophobicContact CB-CE1 4.21Å; K411-F449 HydrophobicContact CB-CE2 3.55Å; K411-F449 HydrophobicContact CB-CG 3.99Å; K411-F449 HydrophobicContact CB-CZ 3.87Å; K411-F449 HydrophobicContact CD-CD2 4.2Å; K411-F449 HydrophobicContact CD-CE2 4.15Å; K411-C471 VanDerWaalsContact CA-SG 3.55Å
412C94.4Very high87.3Confident0 Ų037.2 Ų37.20%023%0.229CC..THydrogen-bonded Turntrans-62.2-15.3177.4-660000114.7L369 K370 E474L369-C412 HydrophobicContact CB-CB 4.12Å; L369-C412 WeakPolarHBondContact CB-O 3.46Å; L369-C412 HydrophobicContact CD2-CB 4.19Å; L369-C412 HydrophobicContact CG-CB 4.05Å; L369-C412 PolarHBondContact N-O 3.06Å; K370-C412 HydrophobicContact CB-CB 3.97Å; K370-C412 PolarHBondContact N-O 3.09Å; C412-E474 VanDerWaalsContact CB-OE2 3.25Å; C412-E474 WeakPolarHBondContact CB-OE2 3.44Å; C412-E474 PolarHBondContact SG-OE2 2.94Å
413D90.6Very high87.9Confident52 Ų5230.6 Ų30.628%0.27820%0.196SC..THydrogen-bonded Turntrans-75.4-32.6167.5-81.6-47.2000113.1T368 K370 K411T368-D413 WeakPolarHBondContact CB-O 3.44Å; T368-D413 WeakPolarHBondContact CG2-O 3.24Å; K370-D413 WeakPolarHBondContact CD-OD1 3.48Å; K370-D413 WeakPolarHBondContact CD-OD2 3.43Å; K370-D413 IonicContact NZ-OD2 2.85Å; K370-D413 PolarHBondContact NZ-OD2 2.87Å; K411-D413 HydrophobicContact CD-CB 4.03Å; K411-D413 HydrophobicContact CG-CB 4.23Å; K411-D413 PolarHBondContact O-N 3.41Å; K411-D413 VanDerWaalsContact O-N 3.1Å
414N92.1Very high88.6Confident9 Ų928.5 Ų28.55%0.04818%0.182CC..THydrogen-bonded Turntrans-94.60.1-175-63.5-1.5000112.1D409 K411 F416 G427 D428D409-N414 PolarHBondContact O-ND2 3.03Å; D409-N414 PolarHBondContact OD2-ND2 2.94Å; K411-N414 HydrophobicContact CG-CB 4.21Å; K411-N414 PolarHBondContact O-N 3.31Å; N414-F416 WeakPolarHBondContact O-CD2 3.45Å; N414-G427 PolarHBondContact O-N 2.68Å; N414-D428 HydrophobicContact CB-CB 4.27Å
415I95.8Very high89.2Confident0 Ų028.4 Ų28.40%018%0.179CC..EExtended strand (participates in β ladder)trans-101.7109.2173-62161.2000107.9T368 L369 I391 L410 K411 V424 C471T368-I415 CarbonylContact C-O 3.57Å; T368-I415 WeakPolarHBondContact CA-O 3.22Å; L369-I415 HydrophobicContact CB-CB 4.2Å; L369-I415 HydrophobicContact CB-CG2 4.19Å; L369-I415 HydrophobicContact CD2-CB 4.31Å; L369-I415 HydrophobicContact CD2-CD1 4.18Å; L369-I415 HydrophobicContact CD2-CG2 4.09Å; L369-I415 PolarHBondContact N-O 2.95Å; I391-I415 HydrophobicContact CD1-CD1 3.87Å; I391-I415 HydrophobicContact CD1-CG2 4.24Å; I391-I415 HydrophobicContact CG1-CD1 4.17Å; I391-I415 HydrophobicContact CG1-CG2 4.17Å; I391-I415 HydrophobicContact CG2-CD1 4.5Å; L410-I415 HydrophobicContact CD1-CD1 4.19Å; L410-I415 HydrophobicContact CD1-CG1 4.13Å; K411-I415 WeakPolarHBondContact O-CG1 3.4Å; K411-I415 PolarHBondContact O-N 3.24Å; I415-V424 HydrophobicContact CG2-CB 4Å; I415-V424 HydrophobicContact CG2-CG1 4.23Å; I415-C471 HydrophobicContact CD1-CB 4.35Å
416F95.8Very high89.7Confident39 Ų3928.4 Ų28.417%0.17118%0.178CC..EExtended strand (participates in β ladder)trans-94.6147-176.6-64.7-90.7000111.7V339 M364 T368 N414 V424 K425V339-F416 HydrophobicContact CG2-CD2 3.92Å; M364-F416 HydrophobicContact CB-CB 3.74Å; M364-F416 HydrophobicContact CB-CD1 3.41Å; M364-F416 VanDerWaalsContact CB-CD1 3.41Å; M364-F416 HydrophobicContact CB-CE1 4.19Å; M364-F416 HydrophobicContact CB-CG 3.71Å; M364-F416 HydrophobicContact CE-CB 3.65Å; M364-F416 HydrophobicContact CG-CB 3.64Å; M364-F416 HydrophobicContact CG-CD1 3.91Å; M364-F416 HydrophobicContact CG-CD2 4.31Å; M364-F416 HydrophobicContact CG-CG 3.69Å; M364-F416 HydrophobicContact SD-CB 4.4Å; T368-F416 HydrophobicContact CG2-CD1 4.04Å; T368-F416 HydrophobicContact CG2-CE1 3.9Å; N414-F416 WeakPolarHBondContact O-CD2 3.45Å; F416-V424 CarbonylContact O-C 3.5Å; F416-V424 VanDerWaalsContact O-CA 3.25Å; F416-V424 WeakPolarHBondContact O-CA 3.49Å; F416-K425 PolarHBondContact N-O 3.18Å; F416-K425 PolarHBondContact O-N 2.9Å
417I95.5Very high89.8Confident14 Ų1428.5 Ų28.57%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-99.6141.7176-62.1165.5000109.5S366 G367 Y372 W387 V424S366-I417 WeakPolarHBondContact CB-O 3.14Å; G367-I417 PolarHBondContact O-N 3.47Å; Y372-I417 HydrophobicContact CD2-CD1 3.8Å; Y372-I417 HydrophobicContact CG-CD1 3.82Å; W387-I417 HydrophobicContact CH2-CD1 3.69Å; W387-I417 HydrophobicContact CH2-CG1 4.39Å; W387-I417 HydrophobicContact CZ2-CD1 4.05Å; W387-I417 HydrophobicContact CZ2-CG1 4.33Å; W387-I417 HydrophobicContact CZ2-CG2 4.47Å; W387-I417 HydrophobicContact CZ3-CD1 4.27Å; I417-V424 HydrophobicContact CG1-CG1 3.97Å
418T92.9Very high89.6Confident21 Ų2130.9 Ų30.913%0.12919%0.192CC..EExtended strand (participates in β ladder)trans-102.598.6176.3-50.60000109.6T420 T421 G422 S423T418-T420 PolarHBondContact O-N 2.9Å; T418-T420 VanDerWaalsContact O-N 3.12Å; T418-T421 WeakPolarHBondContact CG2-OG1 3.33Å; T418-T421 PolarHBondContact O-N 2.99Å; T418-T421 VanDerWaalsContact O-N 3.08Å; T418-G422 PolarHBondContact O-N 3.14Å; T418-S423 WeakPolarHBondContact CB-OG 3.38Å; T418-S423 PolarHBondContact N-O 2.88Å; T418-S423 PolarHBondContact OG1-OG 3.3Å
419G81.7Confident89.3Confident54 Ų5430.2 Ų30.256%0.55719%0.191SC*.THydrogen-bonded Turntrans-60.9-23.8-17200000115.8S366 T421S366-G419 VanDerWaalsContact OG-CA 3.26Å; S366-G419 WeakPolarHBondContact OG-CA 3.26Å; S366-G419 PolarHBondContact OG-N 3.48Å; G419-T421 VanDerWaalsContact C-N 3.31Å; G419-T421 PolarHBondContact O-N 3.48Å
420T76.6Confident88Confident133 Ų13329.4 Ų29.482%0.81619%0.191SC*.THydrogen-bonded Turntrans-74-17.5177540000114.2T418T418-T420 PolarHBondContact O-N 2.9Å; T418-T420 VanDerWaalsContact O-N 3.12Å
421T77.1Confident86.3Confident99 Ų9933.4 Ų33.461%0.60721%0.211SC*.THydrogen-bonded Turntrans-135.3-11.4-173.652.90000114.2T418 G419 S423T418-T421 WeakPolarHBondContact CG2-OG1 3.33Å; T418-T421 PolarHBondContact O-N 2.99Å; T418-T421 VanDerWaalsContact O-N 3.08Å; G419-T421 VanDerWaalsContact C-N 3.31Å; G419-T421 PolarHBondContact O-N 3.48Å; T421-S423 PolarHBondContact O-N 2.91Å; T421-S423 PolarHBondContact OG1-N 3.36Å; T421-S423 PolarHBondContact OG1-OG 3.44Å
422G86.1Confident84.5Confident37 Ų3732.9 Ų32.938%0.38121%0.21SC..THydrogen-bonded Turntrans65.813.6-170.700000113.8W387 T418W387-G422 PolarHBondContact NE1-O 2.91Å; T418-G422 PolarHBondContact O-N 3.14Å
423S94.3Very high82.3Confident24 Ų2434 Ų3417%0.16822%0.217CC..EExtended strand (participates in β ladder)trans-82.2163.2176.663.70000112T418 T421T418-S423 WeakPolarHBondContact CB-OG 3.38Å; T418-S423 PolarHBondContact N-O 2.88Å; T418-S423 PolarHBondContact OG1-OG 3.3Å; T421-S423 PolarHBondContact O-N 2.91Å; T421-S423 PolarHBondContact OG1-N 3.36Å; T421-S423 PolarHBondContact OG1-OG 3.44Å
424V97.1Very high80Confident2 Ų231.9 Ų31.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-116.2146.1175-70.60000112.2N337 W387 Q390 I391 I415 F416 I417N337-V424 WeakPolarHBondContact CA-O 3.5Å; N337-V424 WeakPolarHBondContact CB-O 3.13Å; N337-V424 PolarHBondContact ND2-O 3.26Å; W387-V424 HydrophobicContact CB-CG1 4.23Å; W387-V424 HydrophobicContact CB-CG2 4.03Å; W387-V424 HydrophobicContact CD2-CG1 3.92Å; W387-V424 HydrophobicContact CG-CG1 3.71Å; W387-V424 HydrophobicContact CG-CG2 4.21Å; Q390-V424 HydrophobicContact CB-CG2 3.49Å; Q390-V424 VanDerWaalsContact CB-CG2 3.49Å; Q390-V424 HydrophobicContact CG-CG2 4.46Å; I391-V424 HydrophobicContact CG1-CG2 4.12Å; I415-V424 HydrophobicContact CG2-CB 4Å; I415-V424 HydrophobicContact CG2-CG1 4.23Å; F416-V424 CarbonylContact O-C 3.5Å; F416-V424 VanDerWaalsContact O-CA 3.25Å; F416-V424 WeakPolarHBondContact O-CA 3.49Å; I417-V424 HydrophobicContact CG1-CG1 3.97Å
425K97Very high77.6Confident30 Ų3034.8 Ų34.813%0.1322%0.218CC..EExtended strand (participates in β ladder)trans-129.4130.7178.1-69.7-173.6169.4-171.40110.8P336 N337 V339 E362 M364 F416P336-K425 WeakPolarHBondContact O-CE 3.36Å; P336-K425 WeakPolarHBondContact O-CG 3.47Å; N337-K425 WeakPolarHBondContact O-CA 3.4Å; V339-K425 HydrophobicContact CG2-CB 3.7Å; E362-K425 IonicContact OE1-NZ 2.74Å; E362-K425 PolarHBondContact OE1-NZ 3.46Å; E362-K425 IonicContact OE2-NZ 3.82Å; E362-K425 PolarHBondContact OE2-NZ 3.48Å; M364-K425 HydrophobicContact CE-CB 4.18Å; M364-K425 HydrophobicContact CE-CD 4.02Å; M364-K425 HydrophobicContact CE-CG 4.36Å; M364-K425 HydrophobicContact SD-CD 4.03Å; F416-K425 PolarHBondContact N-O 3.18Å; F416-K425 PolarHBondContact O-N 2.9Å
426I95.8Very high74.9Confident1 Ų140.8 Ų40.81%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-80.7124.6173.4-48.6175.7000108.6N337 I338 V339 I391 L395 H407 L410N337-I426 PolarHBondContact O-N 3.06Å; I338-I426 WeakPolarHBondContact CA-O 3.42Å; I338-I426 HydrophobicContact CD1-CB 4Å; I338-I426 HydrophobicContact CD1-CD1 4.25Å; I338-I426 HydrophobicContact CD1-CG1 4.42Å; V339-I426 PolarHBondContact N-O 3.04Å; I391-I426 HydrophobicContact CG2-CD1 4.06Å; L395-I426 HydrophobicContact CD2-CD1 3.94Å; L395-I426 HydrophobicContact CG-CD1 4.04Å; H407-I426 WeakPolarHBondContact CD2-CG2 3.2Å; H407-I426 WeakPolarHBondContact NE2-CG2 3.41Å; L410-I426 HydrophobicContact CD1-CD1 4.37Å; L410-I426 HydrophobicContact CD1-CG2 3.72Å
427G90.5Very high72.3Confident2 Ų244.9 Ų44.92%0.02127%0.267CS..  trans-117.1-162.2-178.800000113.2H407 N414 L429H407-G427 PolarHBondContact NE2-O 3.16Å; N414-G427 PolarHBondContact O-N 2.68Å; G427-L429 PolarHBondContact O-N 2.69Å
428D81.8Confident69.6Low54 Ų5444.6 Ų44.629%0.28927%0.267SS..  trans5613.5178.9-88.725.4000117.4K291 N414 G430 L431K291-D428 IonicContact NZ-OD1 3.74Å; K291-D428 PolarHBondContact NZ-OD1 2.55Å; K291-D428 IonicContact NZ-OD2 2.72Å; K291-D428 PolarHBondContact NZ-OD2 3.3Å; N414-D428 HydrophobicContact CB-CB 4.27Å; D428-G430 PolarHBondContact O-N 3.36Å; D428-L431 PolarHBondContact O-N 2.91Å
429L74.1Confident67Low12 Ų1249.8 Ų49.86%0.06329%0.288CS..G310 helixtrans-53.9-11.6170.7-66.5177.8000115L330 L333 I338 L398 H407 G427 L431 A432L330-L429 HydrophobicContact CD1-CB 4.43Å; L330-L429 VanDerWaalsContact CD1-O 3.31Å; L330-L429 WeakPolarHBondContact CD1-O 3.38Å; L330-L429 HydrophobicContact CD2-CB 4Å; L333-L429 HydrophobicContact CD1-CD1 4.14Å; I338-L429 HydrophobicContact CG2-CD1 3.55Å; L398-L429 HydrophobicContact CD1-CD1 4.49Å; L398-L429 HydrophobicContact CD1-CD2 3.88Å; L398-L429 HydrophobicContact CD2-CD1 3.94Å; L398-L429 HydrophobicContact CD2-CD2 4.4Å; H407-L429 VanDerWaalsContact CD2-CD2 3.42Å; H407-L429 WeakPolarHBondContact CD2-CD2 3.38Å; G427-L429 PolarHBondContact O-N 2.69Å; L429-L431 PolarHBondContact O-N 3.02Å; L429-A432 HydrophobicContact CB-CB 4.31Å; L429-A432 HydrophobicContact CD2-CB 3.9Å; L429-A432 VanDerWaalsContact O-CB 3.25Å; L429-A432 WeakPolarHBondContact O-CB 3.32Å; L429-A432 PolarHBondContact O-N 2.93Å
430G56.3Low65.1Low17 Ų1748 Ų4818%0.17527%0.268CS..G310 helixtrans-61.7-6.2174.200000115.4F323 D428F323-G430 WeakPolarHBondContact CE2-O 3.3Å; D428-G430 PolarHBondContact O-N 3.36Å
431L55.2Low63.6Low85 Ų8549.4 Ų49.445%0.44526%0.263SS..G310 helixtrans-117.11.8169-60176000113L310 D428 L429 T433L310-L431 HydrophobicContact CD1-CD2 4.44Å; D428-L431 PolarHBondContact O-N 2.91Å; L429-L431 PolarHBondContact O-N 3.02Å; L431-T433 PolarHBondContact O-N 3.37Å
432A54.7Low61.8Low5 Ų547.4 Ų47.44%0.04125%0.253CS..  trans-74.4105-179.600000110.6V405 I406 L429V405-A432 HydrophobicContact CG1-CB 4.39Å; I406-A432 WeakPolarHBondContact O-CB 3.5Å; L429-A432 HydrophobicContact CB-CB 4.31Å; L429-A432 HydrophobicContact CD2-CB 3.9Å; L429-A432 VanDerWaalsContact O-CB 3.25Å; L429-A432 WeakPolarHBondContact O-CB 3.32Å; L429-A432 PolarHBondContact O-N 2.93Å
433T47.7Very low59.5Low24 Ų2451.5 Ų51.515%0.14727%0.27CS..  trans-85157.1-175.814.10000111.1E326 R408 L431 S438E326-T433 VanDerWaalsContact OE1-CA 3.28Å; E326-T433 WeakPolarHBondContact OE1-CA 3.39Å; E326-T433 VanDerWaalsContact OE1-CG2 3.3Å; E326-T433 WeakPolarHBondContact OE1-CG2 3.44Å; E326-T433 WeakPolarHBondContact OE2-CG2 3.44Å; R408-T433 WeakPolarHBondContact CD-OG1 3.46Å; R408-T433 VanDerWaalsContact CZ-C 3.48Å; R408-T433 PolarHBondContact NE-O 2.74Å; R408-T433 PolarHBondContact NE-OG1 2.81Å; R408-T433 VanDerWaalsContact NE-OG1 3.11Å; R408-T433 PolarHBondContact NH1-OG1 3.39Å; R408-T433 VanDerWaalsContact NH1-OG1 3.15Å; R408-T433 PolarHBondContact NH2-O 3.34Å; L431-T433 PolarHBondContact O-N 3.37Å; T433-S438 WeakPolarHBondContact CB-OG 3.41Å
434L42.4Very low57.4Low8 Ų854.2 Ų54.24%0.04228%0.282CS..BIsolated β-bridgetrans-88.3137.4-174-66.7169.3000114.7E326 M329 P403 V405 R408 N436 K437 S438E326-L434 HydrophobicContact CG-CD1 3.71Å; E326-L434 HydrophobicContact CG-CG 3.83Å; E326-L434 PolarHBondContact OE1-N 2.67Å; M329-L434 HydrophobicContact CE-CD1 3.53Å; M329-L434 HydrophobicContact CE-CD2 3.84Å; M329-L434 HydrophobicContact CE-CG 4.35Å; M329-L434 HydrophobicContact SD-CD1 4.39Å; M329-L434 HydrophobicContact SD-CD2 3.66Å; P403-L434 HydrophobicContact CG-CD2 4.29Å; V405-L434 HydrophobicContact CG2-CD2 3.98Å; R408-L434 PolarHBondContact NH2-O 2.99Å; L434-N436 VanDerWaalsContact C-N 3.27Å; L434-N436 PolarHBondContact O-N 3.42Å; L434-N436 VanDerWaalsContact O-N 3.12Å; L434-K437 PolarHBondContact O-N 3.07Å; L434-S438 PolarHBondContact N-OG 2.78Å; L434-S438 PolarHBondContact O-N 3.39Å; L434-S438 PolarHBondContact O-OG 3.31Å
435K41.3Very low55Low70 Ų7055.3 Ų55.330%0.30429%0.293SS..THydrogen-bonded Turntrans-52.4-39.9-174.3-168.6176.4-174.91750113.9I406 E461I406-K435 HydrophobicContact CD1-CB 3.73Å; I406-K435 HydrophobicContact CD1-CD 4.04Å; I406-K435 HydrophobicContact CD1-CG 3.73Å; I406-K435 HydrophobicContact CG1-CB 4.42Å; K435-E461 WeakPolarHBondContact CE-OE2 3.45Å; K435-E461 VanDerWaalsContact NZ-CD 3.3Å; K435-E461 IonicContact NZ-OE1 3.22Å; K435-E461 PolarHBondContact NZ-OE1 3.4Å; K435-E461 VanDerWaalsContact NZ-OE1 3.16Å; K435-E461 IonicContact NZ-OE2 3.73Å; K435-E461 PolarHBondContact NZ-OE2 3.19Å
436N38.9Very low52.7Low125 Ų12555.6 Ų55.667%0.66830%0.298SS*.THydrogen-bonded Turntrans-106.49.3-168-63.818.5000114.9L434L434-N436 VanDerWaalsContact C-N 3.27Å; L434-N436 PolarHBondContact O-N 3.42Å; L434-N436 VanDerWaalsContact O-N 3.12Å
437K41.2Very low50.6Low125 Ų12557 Ų5754%0.54331%0.307SS..THydrogen-bonded Turntrans-131.6-15.2-177.9-81.5-173.6170.4-176.20115.2R322 E325 L434R322-K437 PolarHBondContact NE-O 3.31Å; R322-K437 VanDerWaalsContact NE-O 3.12Å; R322-K437 PolarHBondContact NH2-O 2.92Å; E325-K437 IonicContact OE2-NZ 2.75Å; E325-K437 PolarHBondContact OE2-NZ 3.15Å; L434-K437 PolarHBondContact O-N 3.07Å
438S39.6Very low49Very low8 Ų858.3 Ų58.36%0.05631%0.312CS..  trans-134.185.7-168.444.80000115.4E326 T433 L434 A440E326-S438 PolarHBondContact OE1-OG 2.83Å; T433-S438 WeakPolarHBondContact CB-OG 3.41Å; L434-S438 PolarHBondContact N-OG 2.78Å; L434-S438 PolarHBondContact O-N 3.39Å; L434-S438 PolarHBondContact O-OG 3.31Å; S438-A440 VanDerWaalsContact C-N 3.3Å; S438-A440 PolarHBondContact O-N 3.02Å
439F38Very low47.8Very low130 Ų13056.1 Ų56.157%0.5730%0.3SS*.  trans-50.999.1138.8-94.5-84.8000108R322 E457 M458R322-F439 PolarHBondContact NH1-O 3.08Å; F439-E457 HydrophobicContact CD1-CB 3.81Å; F439-E457 WeakPolarHBondContact CD1-OE2 3.25Å; F439-E457 HydrophobicContact CE1-CB 3.93Å; F439-M458 HydrophobicContact CZ-CG 4.39Å
440A42.4Very low47.3Very low18 Ų1856.1 Ų56.115%0.14930%0.3CS..  trans-102.994.4-174.600000109.2S438 S442S438-A440 VanDerWaalsContact C-N 3.3Å; S438-A440 PolarHBondContact O-N 3.02Å; A440-S442 PolarHBondContact O-N 3.46Å
441K44.6Very low47.3Very low161 Ų16155.3 Ų55.370%0.729%0.292SS*.  trans-75.236.8-170-162166.6-176168.80114.1E457K441-E457 WeakPolarHBondContact CA-OE1 3.46Å
442S39Very low47.5Very low58 Ų5851.9 Ų51.941%0.40628%0.275SS..  trans-137109.7-170600000110.1A440 I444A440-S442 PolarHBondContact O-N 3.46Å; S442-I444 VanDerWaalsContact C-N 3.27Å; S442-I444 PolarHBondContact O-N 2.88Å
443V38.2Very low48.1Very low122 Ų12252.2 Ų52.274%0.73928%0.276SS*.  trans-67.988.3171.5-177.50000108.6
444I48.9Very low48.4Very low82 Ų8252.1 Ų52.142%0.42127%0.274SS..  trans-12892.3178.1-59178.6000107.1F290 S442F290-I444 HydrophobicContact CE2-CD1 4.46Å; F290-I444 HydrophobicContact CZ-CD1 4.28Å; S442-I444 VanDerWaalsContact C-N 3.27Å; S442-I444 PolarHBondContact O-N 2.88Å
445G47.8Very low49Very low24 Ų2455.2 Ų55.225%0.24729%0.285CS..SBendtrans-168.9156.9176.700000109P447G445-P447 WeakPolarHBondContact O-CD 3.47Å
446T48.6Very low49.8Very low37 Ų3758.3 Ų58.323%0.22730%0.301CS..  trans-82.5112.7171.6-63.50000108K411 E448 F449 Y480K411-T446 PolarHBondContact NZ-OG1 2.84Å; T446-E448 WeakPolarHBondContact CG2-OE2 3.39Å; T446-E448 PolarHBondContact O-N 2.94Å; T446-F449 HydrophobicContact CG2-CD2 3.85Å; T446-F449 HydrophobicContact CG2-CE2 4.27Å; T446-F449 PolarHBondContact O-N 3.11Å; T446-Y480 WeakPolarHBondContact CG2-OH 3.48Å
447P51.6Low50.5Low29 Ų2955.9 Ų55.919%0.18829%0.285CS..G310 helixtrans-64.4-20.9-160.422.3-31.8000114.6G445 F449 M450 P488G445-P447 WeakPolarHBondContact O-CD 3.47Å; P447-F449 VanDerWaalsContact C-N 3.31Å; P447-F449 PolarHBondContact O-N 3.42Å; P447-M450 PolarHBondContact O-N 3.24Å; P447-P488 HydrophobicContact CB-CB 3.98Å; P447-P488 HydrophobicContact CG-CB 3.67Å; P447-P488 HydrophobicContact CG-CG 3.68Å
448E56.1Low51.3Low30 Ų3055.9 Ų55.914%0.1429%0.289CS..G310 helixtrans-67.5-26.6173.5-56.985-137.100114.2T446 Y480 I491T446-E448 WeakPolarHBondContact CG2-OE2 3.39Å; T446-E448 PolarHBondContact O-N 2.94Å; E448-Y480 HydrophobicContact CB-CE1 3.9Å; E448-Y480 HydrophobicContact CG-CE1 3.64Å; E448-Y480 WeakPolarHBondContact OE2-CE1 3.46Å; E448-Y480 PolarHBondContact OE2-OH 3.19Å; E448-I491 HydrophobicContact CG-CD1 3.63Å; E448-I491 HydrophobicContact CG-CG1 4.48Å; E448-I491 HydrophobicContact CG-CG2 4.46Å; E448-I491 WeakPolarHBondContact OE1-CD1 3.41Å
449F57.9Low52.7Low8 Ų857.1 Ų57.14%0.03529%0.293CS..G310 helixtrans-96.6-5.3178.9-65.5-73000113.5K411 T446 P447 M470 E474 Y480 P481K411-F449 HydrophobicContact CB-CD1 4.25Å; K411-F449 HydrophobicContact CB-CD2 3.64Å; K411-F449 HydrophobicContact CB-CE1 4.21Å; K411-F449 HydrophobicContact CB-CE2 3.55Å; K411-F449 HydrophobicContact CB-CG 3.99Å; K411-F449 HydrophobicContact CB-CZ 3.87Å; K411-F449 HydrophobicContact CD-CD2 4.2Å; K411-F449 HydrophobicContact CD-CE2 4.15Å; T446-F449 HydrophobicContact CG2-CD2 3.85Å; T446-F449 HydrophobicContact CG2-CE2 4.27Å; T446-F449 PolarHBondContact O-N 3.11Å; P447-F449 VanDerWaalsContact C-N 3.31Å; P447-F449 PolarHBondContact O-N 3.42Å; F449-M470 HydrophobicContact CD1-CB 3.72Å; F449-M470 HydrophobicContact CE1-CB 4.06Å; F449-E474 WeakPolarHBondContact CZ-OE2 3.37Å; F449-Y480 AromaticContact CE2-CE2 3.48Å; F449-Y480 HydrophobicContact CE2-CE2 3.48Å; F449-Y480 VanDerWaalsContact CE2-CE2 3.48Å; F449-Y480 AromaticContact CE2-CZ 3.68Å; F449-Y480 VanDerWaalsContact CE2-OH 3.27Å; F449-Y480 WeakPolarHBondContact CE2-OH 3.49Å; F449-Y480 HydrophobicContact CZ-CD2 4.3Å; F449-Y480 AromaticContact CZ-CE2 3.55Å; F449-Y480 HydrophobicContact CZ-CE2 3.55Å; F449-P481 HydrophobicContact CE1-CG 4.45Å
450M63Low54.7Low12 Ų1252.5 Ų52.56%0.05927%0.274CS..  trans-79128.9-174.5-64-176.765.700111.7P447 M454 Y455 Y466P447-M450 PolarHBondContact O-N 3.24Å; M450-M454 HydrophobicContact CB-CE 3.93Å; M450-M454 HydrophobicContact CE-CB 4.2Å; M450-M454 HydrophobicContact CE-CE 4.1Å; M450-M454 HydrophobicContact CE-CG 4.05Å; M450-M454 HydrophobicContact CG-CE 3.72Å; M450-Y455 HydrophobicContact CB-CE2 3.87Å; M450-Y455 HydrophobicContact CE-CD2 4.44Å; M450-Y455 HydrophobicContact CE-CE1 4.16Å; M450-Y455 HydrophobicContact CE-CE2 4.05Å; M450-Y455 HydrophobicContact SD-CE1 4.45Å; M450-Y455 HydrophobicContact SD-CE2 4.39Å; M450-Y466 WeakPolarHBondContact O-CE1 3.42Å
451A56.1Low56.9Low0 Ų054.9 Ų54.90%028%0.282CS..  trans-66.4149.4167.800000110.6E453 M454 V463 Y466A451-E453 VanDerWaalsContact C-N 3.31Å; A451-E453 WeakPolarHBondContact CB-OE1 3.41Å; A451-E453 PolarHBondContact O-N 3.5Å; A451-M454 WeakPolarHBondContact O-CB 3.49Å; A451-M454 PolarHBondContact O-N 2.94Å; A451-V463 HydrophobicContact CB-CB 4.2Å; A451-V463 HydrophobicContact CB-CG1 4.02Å; A451-Y466 HydrophobicContact CB-CD1 3.87Å; A451-Y466 HydrophobicContact CB-CD2 4.4Å; A451-Y466 HydrophobicContact CB-CE1 4.48Å; A451-Y466 HydrophobicContact CB-CG 3.83Å
452P59.1Low59.1Low14 Ų1447.8 Ų47.89%0.09125%0.253CS..G310 helixtrans-58-39.4-173.918.9-28.9000113.5M454 Y455 V495 I496 V524P452-M454 VanDerWaalsContact C-N 3.26Å; P452-M454 PolarHBondContact O-N 2.85Å; P452-Y455 WeakPolarHBondContact O-CD2 3.44Å; P452-Y455 PolarHBondContact O-N 3.27Å; P452-V495 HydrophobicContact CB-CG1 3.98Å; P452-V495 HydrophobicContact CG-CG1 4.08Å; P452-I496 HydrophobicContact CB-CG2 4.02Å; P452-V524 HydrophobicContact CG-CG1 4.21Å
453E66.9Low61.5Low12 Ų1245.1 Ų45.16%0.05623%0.234CC..G310 helixtrans-73.6-11.2179.274.2-73.8177.900114A451 Y455 E456 V463 R529A451-E453 VanDerWaalsContact C-N 3.31Å; A451-E453 WeakPolarHBondContact CB-OE1 3.41Å; A451-E453 PolarHBondContact O-N 3.5Å; E453-Y455 PolarHBondContact O-N 3.45Å; E453-E456 WeakPolarHBondContact O-CB 3.1Å; E453-E456 PolarHBondContact O-N 3.02Å; E453-V463 WeakPolarHBondContact OE1-CG1 3.45Å; E453-R529 IonicContact OE1-CZ 2.77Å; E453-R529 IonicContact OE1-NH1 3.74Å; E453-R529 PolarHBondContact OE1-NH1 3.2Å; E453-R529 IonicContact OE1-NH2 2.65Å; E453-R529 PolarHBondContact OE1-NH2 3.48Å; E453-R529 IonicContact OE2-CZ 3.91Å; E453-R529 IonicContact OE2-NH1 3.34Å; E453-R529 IonicContact OE2-NH2 3.67Å; E453-R529 PolarHBondContact OE2-NH2 3.01Å
454M54.4Low64.1Low22 Ų2239.4 Ų39.411%0.10820%0.199CC..G310 helixtrans-71.1-9.4176.8-161.3147.765.300112.6R408 M450 A451 P452 Y459 V463R408-M454 HydrophobicContact CB-SD 4.28Å; R408-M454 VanDerWaalsContact O-CE 3.23Å; R408-M454 WeakPolarHBondContact O-CE 3.43Å; M450-M454 HydrophobicContact CB-CE 3.93Å; M450-M454 HydrophobicContact CE-CB 4.2Å; M450-M454 HydrophobicContact CE-CE 4.1Å; M450-M454 HydrophobicContact CE-CG 4.05Å; M450-M454 HydrophobicContact CG-CE 3.72Å; A451-M454 WeakPolarHBondContact O-CB 3.49Å; A451-M454 PolarHBondContact O-N 2.94Å; P452-M454 VanDerWaalsContact C-N 3.26Å; P452-M454 PolarHBondContact O-N 2.85Å; M454-Y459 HydrophobicContact CB-CD1 4.41Å; M454-Y459 HydrophobicContact CG-CD1 3.95Å; M454-Y459 HydrophobicContact CG-CD2 4.39Å; M454-Y459 HydrophobicContact CG-CE1 4.02Å; M454-Y459 HydrophobicContact CG-CE2 4.45Å; M454-Y459 HydrophobicContact CG-CG 4.13Å; M454-Y459 HydrophobicContact SD-CD2 4.39Å; M454-Y459 HydrophobicContact SD-CE2 4.43Å; M454-V463 HydrophobicContact CB-CG1 4.3Å; M454-V463 HydrophobicContact SD-CB 3.96Å; M454-V463 HydrophobicContact SD-CG1 4.01Å; M454-V463 HydrophobicContact SD-CG2 3.91Å
455Y54.7Low66.3Low73 Ų7335.7 Ų35.729%0.28618%0.181SC..G310 helixtrans-87.4-10.3168.7-63.6-92000113.4M450 P452 E453 Y492M450-Y455 HydrophobicContact CB-CE2 3.87Å; M450-Y455 HydrophobicContact CE-CD2 4.44Å; M450-Y455 HydrophobicContact CE-CE1 4.16Å; M450-Y455 HydrophobicContact CE-CE2 4.05Å; M450-Y455 HydrophobicContact SD-CE1 4.45Å; M450-Y455 HydrophobicContact SD-CE2 4.39Å; P452-Y455 WeakPolarHBondContact O-CD2 3.44Å; P452-Y455 PolarHBondContact O-N 3.27Å; E453-Y455 PolarHBondContact O-N 3.45Å; Y455-Y492 HydrophobicContact CD1-CD2 4.38Å; Y455-Y492 HydrophobicContact CD1-CE2 4.28Å; Y455-Y492 AromaticContact CD2-CD2 3.79Å; Y455-Y492 HydrophobicContact CD2-CD2 3.79Å; Y455-Y492 AromaticContact CD2-CE2 3.67Å; Y455-Y492 HydrophobicContact CD2-CE2 3.67Å; Y455-Y492 HydrophobicContact CE1-CD2 4.27Å; Y455-Y492 AromaticContact CE2-CD2 3.67Å; Y455-Y492 HydrophobicContact CE2-CD2 3.67Å; Y455-Y492 HydrophobicContact CE2-CE2 4.07Å; Y455-Y492 HydrophobicContact CG-CD2 4.15Å; Y455-Y492 AromaticContact CG-CE2 3.78Å; Y455-Y492 HydrophobicContact CG-CE2 3.78Å; Y455-Y492 AromaticContact CZ-CD2 3.92Å
456E58.7Low68.5Low135 Ų13534.8 Ų34.863%0.63117%0.17SC*.SBendtrans-98.38.2-176.4-57.9-172.6154.600113.7E453 M458E453-E456 WeakPolarHBondContact O-CB 3.1Å; E453-E456 PolarHBondContact O-N 3.02Å; E456-M458 PolarHBondContact O-N 3.34Å
457E54.7Low70.7Confident73 Ų7333.1 Ų33.134%0.34116%0.16SC..SBendtrans59.1-11.3-176.3-55.5-169.6152.600116.4F439 K441F439-E457 HydrophobicContact CD1-CB 3.81Å; F439-E457 WeakPolarHBondContact CD1-OE2 3.25Å; F439-E457 HydrophobicContact CE1-CB 3.93Å; K441-E457 WeakPolarHBondContact CA-OE1 3.46Å
458M57Low72.9Confident125 Ų12531.8 Ų31.862%0.61615%0.151SC*.  trans-106.761.6-178.6-65.5-158.5-59.300114F439 E456 R526F439-M458 HydrophobicContact CZ-CG 4.39Å; E456-M458 PolarHBondContact O-N 3.34Å; M458-R526 PolarHBondContact O-NH1 3.48Å
459Y68.4Low74.8Confident34 Ų3430.3 Ų30.313%0.13314%0.144CC..  trans-106.5159.7-176.849.3-93.2000114.3R408 M454 V463R408-Y459 HydrophobicContact CG-CE2 3.88Å; R408-Y459 VanDerWaalsContact CZ-CE2 3.5Å; R408-Y459 VanDerWaalsContact NH1-CZ 3.3Å; R408-Y459 PolarHBondContact NH1-OH 2.99Å; M454-Y459 HydrophobicContact CB-CD1 4.41Å; M454-Y459 HydrophobicContact CG-CD1 3.95Å; M454-Y459 HydrophobicContact CG-CD2 4.39Å; M454-Y459 HydrophobicContact CG-CE1 4.02Å; M454-Y459 HydrophobicContact CG-CE2 4.45Å; M454-Y459 HydrophobicContact CG-CG 4.13Å; M454-Y459 HydrophobicContact SD-CD2 4.39Å; M454-Y459 HydrophobicContact SD-CE2 4.43Å; Y459-V463 HydrophobicContact CD2-CG1 4.45Å; Y459-V463 HydrophobicContact CG-CG1 4.35Å
460D81.2Confident76.6Confident33 Ų3330 Ų3018%0.17614%0.143CC..  trans-131.9-171.6-175.862.225.9000112S462 V463D460-S462 PolarHBondContact O-N 2.89Å; D460-S462 WeakPolarHBondContact OD1-CB 3.29Å; D460-S462 PolarHBondContact OD1-N 2.82Å; D460-S462 PolarHBondContact OD1-OG 3.06Å; D460-V463 WeakPolarHBondContact O-CG2 3.46Å; D460-V463 PolarHBondContact O-N 3.12Å
461E87.4Confident78.2Confident68 Ų6829.4 Ų29.432%0.31814%0.14SC..THydrogen-bonded Turntrans-53-16176.250.9-86.7-166.100115.5H399 K435 V463 D464H399-E461 HydrophobicContact CB-CB 4.46Å; K435-E461 WeakPolarHBondContact CE-OE2 3.45Å; K435-E461 VanDerWaalsContact NZ-CD 3.3Å; K435-E461 IonicContact NZ-OE1 3.22Å; K435-E461 PolarHBondContact NZ-OE1 3.4Å; K435-E461 VanDerWaalsContact NZ-OE1 3.16Å; K435-E461 IonicContact NZ-OE2 3.73Å; K435-E461 PolarHBondContact NZ-OE2 3.19Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.12Å; E461-D464 PolarHBondContact O-N 2.86Å
462S91Very high80.1Confident13 Ų1329.4 Ų29.49%0.09114%0.14CC..Hα-helixtrans-73.3-14.217874.60000114.1D460 D464 V465 Y466 R526 R529D460-S462 PolarHBondContact O-N 2.89Å; D460-S462 WeakPolarHBondContact OD1-CB 3.29Å; D460-S462 PolarHBondContact OD1-N 2.82Å; D460-S462 PolarHBondContact OD1-OG 3.06Å; S462-D464 VanDerWaalsContact C-N 3.34Å; S462-V465 WeakPolarHBondContact O-CB 3.32Å; S462-V465 PolarHBondContact O-N 3.05Å; S462-Y466 PolarHBondContact O-N 3.35Å; S462-Y466 VanDerWaalsContact O-N 3.07Å; S462-R526 WeakPolarHBondContact OG-CB 3.32Å; S462-R529 PolarHBondContact O-NH1 3.37Å; S462-R529 PolarHBondContact OG-NH1 3.1Å
463V89.3Confident81.9Confident2 Ų228.7 Ų28.71%0.01214%0.135CC..Hα-helixtrans-67.9-37.8170.6-53.90000111I406 A451 E453 M454 Y459 D460 E461 V465 Y466 A467I406-V463 HydrophobicContact CG2-CG2 3.66Å; A451-V463 HydrophobicContact CB-CB 4.2Å; A451-V463 HydrophobicContact CB-CG1 4.02Å; E453-V463 WeakPolarHBondContact OE1-CG1 3.45Å; M454-V463 HydrophobicContact CB-CG1 4.3Å; M454-V463 HydrophobicContact SD-CB 3.96Å; M454-V463 HydrophobicContact SD-CG1 4.01Å; M454-V463 HydrophobicContact SD-CG2 3.91Å; Y459-V463 HydrophobicContact CD2-CG1 4.45Å; Y459-V463 HydrophobicContact CG-CG1 4.35Å; D460-V463 WeakPolarHBondContact O-CG2 3.46Å; D460-V463 PolarHBondContact O-N 3.12Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.12Å; V463-V465 VanDerWaalsContact C-N 3.29Å; V463-V465 PolarHBondContact O-N 3.42Å; V463-Y466 PolarHBondContact O-N 3.04Å; V463-A467 WeakPolarHBondContact O-CB 3.43Å; V463-A467 PolarHBondContact O-N 3.11Å
464D92.5Very high83.2Confident1 Ų128.6 Ų28.61%0.00514%0.135CC..Hα-helixtrans-71.1-28.6178-61.4-20000111.1L395 H399 H407 R408 E461 S462 F468L395-D464 HydrophobicContact CD1-CB 4.22Å; L395-D464 HydrophobicContact CD2-CB 3.97Å; H399-D464 IonicContact CD2-OD2 3.58Å; H399-D464 IonicContact CE1-OD2 2.77Å; H399-D464 IonicContact NE2-OD2 3.11Å; H399-D464 PolarHBondContact NE2-OD2 3.05Å; H407-D464 WeakPolarHBondContact CB-OD1 3.42Å; H407-D464 PolarHBondContact N-OD1 3.21Å; H407-D464 PolarHBondContact N-OD2 2.98Å; R408-D464 PolarHBondContact N-OD1 2.96Å; E461-D464 PolarHBondContact O-N 2.86Å; S462-D464 VanDerWaalsContact C-N 3.34Å; D464-F468 VanDerWaalsContact O-CB 3.25Å; D464-F468 WeakPolarHBondContact O-CB 3.21Å; D464-F468 PolarHBondContact O-N 3.12Å
465V95.7Very high85.2Confident5 Ų527.7 Ų27.73%0.0313%0.13CC..Hα-helixtrans-67-47.7170.6171.10000111.2S462 V463 A467 F468 G469 C521 R529 S530 V532 L535S462-V465 WeakPolarHBondContact O-CB 3.32Å; S462-V465 PolarHBondContact O-N 3.05Å; V463-V465 VanDerWaalsContact C-N 3.29Å; V463-V465 PolarHBondContact O-N 3.42Å; V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 2.9Å; V465-F468 WeakPolarHBondContact O-CB 3.48Å; V465-F468 PolarHBondContact O-N 2.89Å; V465-G469 PolarHBondContact O-N 3.43Å; V465-C521 HydrophobicContact CG1-CB 4.21Å; V465-R529 HydrophobicContact CG1-CB 4.17Å; V465-S530 WeakPolarHBondContact CG1-O 3.47Å; V465-V532 HydrophobicContact CG2-CG2 3.72Å; V465-L535 HydrophobicContact CG1-CD1 4.31Å
466Y94.7Very high87.1Confident4 Ų425.5 Ų25.52%0.01613%0.125CC..Hα-helixtrans-59.4-47.6176.9178.3-87.3000110.8M450 A451 S462 V463 F468 G469 M470 V495 I522M450-Y466 WeakPolarHBondContact O-CE1 3.42Å; A451-Y466 HydrophobicContact CB-CD1 3.87Å; A451-Y466 HydrophobicContact CB-CD2 4.4Å; A451-Y466 HydrophobicContact CB-CE1 4.48Å; A451-Y466 HydrophobicContact CB-CG 3.83Å; S462-Y466 PolarHBondContact O-N 3.35Å; S462-Y466 VanDerWaalsContact O-N 3.07Å; V463-Y466 PolarHBondContact O-N 3.04Å; Y466-F468 PolarHBondContact O-N 2.81Å; Y466-G469 WeakPolarHBondContact O-CA 3.5Å; Y466-G469 PolarHBondContact O-N 3.02Å; Y466-G469 VanDerWaalsContact O-N 3.11Å; Y466-M470 HydrophobicContact CD1-CG 4.46Å; Y466-M470 HydrophobicContact CE1-CE 3.98Å; Y466-M470 HydrophobicContact CE1-CG 4.12Å; Y466-M470 HydrophobicContact CE2-CE 4.13Å; Y466-M470 PolarHBondContact O-N 3.4Å; Y466-M470 VanDerWaalsContact OH-CE 3.26Å; Y466-M470 WeakPolarHBondContact OH-CE 3.2Å; Y466-V495 WeakPolarHBondContact OH-CG1 3.36Å; Y466-V495 WeakPolarHBondContact OH-CG2 3.36Å; Y466-I522 HydrophobicContact CD2-CB 4.21Å; Y466-I522 HydrophobicContact CE2-CB 4.05Å
467A94Very high88.7Confident3 Ų320.3 Ų20.33%0.02510%0.102CC..Hα-helixtrans-63.4-37.6176.400000113L410 V463 V465 G469 M470 C471L410-A467 HydrophobicContact CB-CB 3.83Å; L410-A467 HydrophobicContact CD2-CB 4.19Å; L410-A467 HydrophobicContact CG-CB 4.4Å; L410-A467 WeakPolarHBondContact O-CB 3.4Å; V463-A467 WeakPolarHBondContact O-CB 3.43Å; V463-A467 PolarHBondContact O-N 3.11Å; V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 2.9Å; A467-G469 VanDerWaalsContact C-N 3.35Å; A467-M470 PolarHBondContact O-N 2.94Å; A467-C471 PolarHBondContact O-N 2.88Å; A467-C471 PolarHBondContact O-SG 3.19Å
468F97.4Very high90.4Very high0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-61-42.4170.6166.4-97.7000111.7C388 I391 L392 L395 L410 D464 V465 Y466 M470 C471 L472 L535 F541C388-F468 HydrophobicContact CB-CE2 4Å; C388-F468 HydrophobicContact CB-CZ 4.03Å; I391-F468 HydrophobicContact CB-CD2 4.33Å; I391-F468 HydrophobicContact CB-CE2 4.43Å; I391-F468 HydrophobicContact CG2-CD2 3.81Å; I391-F468 HydrophobicContact CG2-CE2 4.4Å; L392-F468 HydrophobicContact CD1-CE1 4.2Å; L392-F468 HydrophobicContact CD1-CE2 4.23Å; L392-F468 HydrophobicContact CD1-CZ 3.72Å; L392-F468 HydrophobicContact CD2-CD1 3.94Å; L392-F468 HydrophobicContact CD2-CD2 4.14Å; L392-F468 HydrophobicContact CD2-CE1 3.83Å; L392-F468 HydrophobicContact CD2-CE2 4.02Å; L392-F468 HydrophobicContact CD2-CG 4.1Å; L392-F468 HydrophobicContact CD2-CZ 3.86Å; L392-F468 HydrophobicContact CG-CD2 4.27Å; L392-F468 HydrophobicContact CG-CE1 4.19Å; L392-F468 HydrophobicContact CG-CE2 3.75Å; L392-F468 HydrophobicContact CG-CZ 3.71Å; L395-F468 HydrophobicContact CD1-CB 4.2Å; L410-F468 HydrophobicContact CD2-CB 4.18Å; D464-F468 VanDerWaalsContact O-CB 3.25Å; D464-F468 WeakPolarHBondContact O-CB 3.21Å; D464-F468 PolarHBondContact O-N 3.12Å; V465-F468 WeakPolarHBondContact O-CB 3.48Å; V465-F468 PolarHBondContact O-N 2.89Å; Y466-F468 PolarHBondContact O-N 2.81Å; F468-M470 VanDerWaalsContact C-N 3.31Å; F468-M470 PolarHBondContact O-N 3.07Å; F468-C471 PolarHBondContact O-N 2.96Å; F468-L472 HydrophobicContact CE1-CD2 4.35Å; F468-L472 HydrophobicContact CZ-CD2 4.44Å; F468-L472 WeakPolarHBondContact O-CB 3.48Å; F468-L472 PolarHBondContact O-N 3.33Å; F468-L535 HydrophobicContact CD1-CD1 4.1Å; F468-L535 HydrophobicContact CE1-CD1 4.12Å; F468-F541 HydrophobicContact CE1-CE2 4.45Å; F468-F541 HydrophobicContact CE1-CZ 4.36Å; F468-F541 HydrophobicContact CZ-CE2 4.26Å; F468-F541 AromaticContact CZ-CZ 3.84Å; F468-F541 HydrophobicContact CZ-CZ 3.84Å
469G96.7Very high92Very high0 Ų015.7 Ų15.70%09%0.089CC..Hα-helixtrans-58.5-40.5174.200000112.9V465 Y466 A467 L472 L473V465-G469 PolarHBondContact O-N 3.43Å; Y466-G469 WeakPolarHBondContact O-CA 3.5Å; Y466-G469 PolarHBondContact O-N 3.02Å; Y466-G469 VanDerWaalsContact O-N 3.11Å; A467-G469 VanDerWaalsContact C-N 3.35Å; G469-L472 PolarHBondContact O-N 2.95Å; G469-L473 WeakPolarHBondContact O-CB 3.26Å; G469-L473 PolarHBondContact O-N 3.32Å
470M95.6Very high93.1Very high0 Ų016.9 Ų16.90%09%0.094CC..Hα-helixtrans-71.4-37.5175.1-67.6-57.8-175.400113.1F449 Y466 A467 F468 L472 L473 E474 P481 Y482 P501 I522F449-M470 HydrophobicContact CD1-CB 3.72Å; F449-M470 HydrophobicContact CE1-CB 4.06Å; Y466-M470 HydrophobicContact CD1-CG 4.46Å; Y466-M470 HydrophobicContact CE1-CE 3.98Å; Y466-M470 HydrophobicContact CE1-CG 4.12Å; Y466-M470 HydrophobicContact CE2-CE 4.13Å; Y466-M470 PolarHBondContact O-N 3.4Å; Y466-M470 VanDerWaalsContact OH-CE 3.26Å; Y466-M470 WeakPolarHBondContact OH-CE 3.2Å; A467-M470 PolarHBondContact O-N 2.94Å; F468-M470 VanDerWaalsContact C-N 3.31Å; F468-M470 PolarHBondContact O-N 3.07Å; M470-L472 VanDerWaalsContact C-N 3.33Å; M470-L473 PolarHBondContact O-N 3.43Å; M470-L473 HydrophobicContact SD-CD2 4.14Å; M470-E474 PolarHBondContact O-N 3.18Å; M470-P481 HydrophobicContact CB-CG 4.27Å; M470-P481 HydrophobicContact SD-CB 3.96Å; M470-P481 HydrophobicContact SD-CG 4.26Å; M470-Y482 HydrophobicContact CE-CE2 3.83Å; M470-P501 HydrophobicContact CE-CG 3.95Å; M470-P501 HydrophobicContact SD-CG 4.05Å; M470-I522 HydrophobicContact CE-CB 4.09Å; M470-I522 HydrophobicContact CE-CD1 4.22Å; M470-I522 HydrophobicContact CE-CG2 3.9Å; M470-I522 HydrophobicContact CG-CG2 4.23Å; M470-I522 HydrophobicContact SD-CG2 4.01Å
471C96.9Very high93.7Very high0 Ų015.3 Ų15.30%09%0.086CC..Hα-helixtrans-63.8-38.7171.9-65.10000111.8K411 I415 A467 F468 M475K411-C471 VanDerWaalsContact CA-SG 3.55Å; I415-C471 HydrophobicContact CD1-CB 4.35Å; A467-C471 PolarHBondContact O-N 2.88Å; A467-C471 PolarHBondContact O-SG 3.19Å; F468-C471 PolarHBondContact O-N 2.96Å; C471-M475 WeakPolarHBondContact O-CB 3.45Å; C471-M475 WeakPolarHBondContact O-CG 3.36Å; C471-M475 PolarHBondContact O-N 3.46Å
472L96.9Very high94Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-65.7-41.6174.2175.458000111.2L384 F468 G469 M470 M475 V476 I514 I517 I518 F541L384-L472 HydrophobicContact CD2-CD1 3.8Å; F468-L472 HydrophobicContact CE1-CD2 4.35Å; F468-L472 HydrophobicContact CZ-CD2 4.44Å; F468-L472 WeakPolarHBondContact O-CB 3.48Å; F468-L472 PolarHBondContact O-N 3.33Å; G469-L472 PolarHBondContact O-N 2.95Å; M470-L472 VanDerWaalsContact C-N 3.33Å; L472-M475 PolarHBondContact O-N 2.9Å; L472-V476 HydrophobicContact CD1-CG2 3.95Å; L472-V476 WeakPolarHBondContact O-CG2 3.1Å; L472-V476 PolarHBondContact O-N 2.73Å; L472-V476 VanDerWaalsContact O-N 3.12Å; L472-I514 HydrophobicContact CD1-CG2 4.28Å; L472-I514 HydrophobicContact CG-CG2 4.43Å; L472-I517 HydrophobicContact CD2-CB 4.47Å; L472-I517 HydrophobicContact CD2-CG2 3.62Å; L472-I518 HydrophobicContact CB-CG1 4.26Å; L472-I518 HydrophobicContact CD2-CD1 4.43Å; L472-I518 HydrophobicContact CD2-CG1 3.65Å; L472-I518 HydrophobicContact CG-CD1 4Å; L472-I518 HydrophobicContact CG-CG1 3.67Å; L472-F541 HydrophobicContact CD2-CZ 4.31Å
473L96Very high94Very high0 Ų015.1 Ų15.10%09%0.091CC..Hα-helixtrans-59.5-51173.6-179.259.9000111.7G469 M470 M475 V476 T477 P481 P501 F504 I507 I518G469-L473 WeakPolarHBondContact O-CB 3.26Å; G469-L473 PolarHBondContact O-N 3.32Å; M470-L473 PolarHBondContact O-N 3.43Å; M470-L473 HydrophobicContact SD-CD2 4.14Å; L473-M475 VanDerWaalsContact C-N 3.3Å; L473-M475 PolarHBondContact O-N 3.25Å; L473-V476 PolarHBondContact O-N 2.85Å; L473-V476 VanDerWaalsContact O-N 3.11Å; L473-T477 HydrophobicContact CD1-CG2 3.82Å; L473-T477 PolarHBondContact O-N 2.91Å; L473-T477 PolarHBondContact O-OG1 3.14Å; L473-P481 HydrophobicContact CD2-CB 4.49Å; L473-P481 HydrophobicContact CD2-CG 4.42Å; L473-P501 HydrophobicContact CD2-CB 4.01Å; L473-P501 HydrophobicContact CD2-CG 3.81Å; L473-F504 HydrophobicContact CD1-CB 4.48Å; L473-I507 HydrophobicContact CD1-CD1 3.94Å; L473-I507 HydrophobicContact CD1-CG1 3.87Å; L473-I518 HydrophobicContact CB-CD1 4.2Å; L473-I518 HydrophobicContact CB-CG2 4.34Å; L473-I518 HydrophobicContact CD1-CD1 4.24Å
474E95Very high94.2Very high9 Ų917.6 Ų17.64%0.04210%0.102CC..Hα-helixtrans-58.9-39.2177-163.5-174.6172.900111.9L373 C412 F449 M470 V476 G478 P481L373-E474 HydrophobicContact CD1-CG 4.05Å; C412-E474 VanDerWaalsContact CB-OE2 3.25Å; C412-E474 WeakPolarHBondContact CB-OE2 3.44Å; C412-E474 PolarHBondContact SG-OE2 2.94Å; F449-E474 WeakPolarHBondContact CZ-OE2 3.37Å; M470-E474 PolarHBondContact O-N 3.18Å; E474-V476 VanDerWaalsContact C-N 3.32Å; E474-V476 PolarHBondContact O-N 2.96Å; E474-G478 WeakPolarHBondContact O-CA 3.43Å; E474-G478 PolarHBondContact O-N 3.39Å; E474-P481 HydrophobicContact CB-CG 4.41Å
475M94.9Very high94.1Very high3 Ų318.3 Ų18.32%0.01511%0.107CC..Hα-helixtrans-65.7-29176.1-84.9-167-77.800114.7L369 L373 I379 L384 W387 C388 I391 C471 L472 L473L369-M475 HydrophobicContact CD1-CG 3.94Å; L369-M475 HydrophobicContact CD1-SD 3.89Å; L369-M475 HydrophobicContact CD2-CE 4.08Å; L369-M475 HydrophobicContact CD2-CG 3.83Å; L369-M475 HydrophobicContact CD2-SD 3.63Å; L369-M475 HydrophobicContact CG-CG 4.14Å; L369-M475 HydrophobicContact CG-SD 4.3Å; L373-M475 HydrophobicContact CD1-CG 4.24Å; I379-M475 HydrophobicContact CD1-CB 3.94Å; I379-M475 HydrophobicContact CD1-CG 3.67Å; I379-M475 HydrophobicContact CD1-SD 4.14Å; L384-M475 HydrophobicContact CD1-CB 3.92Å; W387-M475 HydrophobicContact CE3-SD 4.37Å; C388-M475 WeakPolarHBondContact SG-CE 3.45Å; I391-M475 HydrophobicContact CD1-CE 4.1Å; C471-M475 WeakPolarHBondContact O-CB 3.45Å; C471-M475 WeakPolarHBondContact O-CG 3.36Å; C471-M475 PolarHBondContact O-N 3.46Å; L472-M475 PolarHBondContact O-N 2.9Å; L473-M475 VanDerWaalsContact C-N 3.3Å; L473-M475 PolarHBondContact O-N 3.25Å
476V94.4Very high93.7Very high27 Ų2727.2 Ų27.216%0.16415%0.151CC..Hα-helixtrans-90.9-40.1-174.6172.50000111.5L384 L472 L473 E474 I507 I514L384-V476 HydrophobicContact CD1-CG2 3.74Å; L472-V476 HydrophobicContact CD1-CG2 3.95Å; L472-V476 WeakPolarHBondContact O-CG2 3.1Å; L472-V476 PolarHBondContact O-N 2.73Å; L472-V476 VanDerWaalsContact O-N 3.12Å; L473-V476 PolarHBondContact O-N 2.85Å; L473-V476 VanDerWaalsContact O-N 3.11Å; E474-V476 VanDerWaalsContact C-N 3.32Å; E474-V476 PolarHBondContact O-N 2.96Å; V476-I507 HydrophobicContact CG1-CG2 4.15Å; V476-I514 HydrophobicContact CG1-CG2 4.41Å; V476-I514 HydrophobicContact CG2-CD1 4.45Å; V476-I514 HydrophobicContact CG2-CG2 3.64Å
477T92.6Very high93.2Very high27 Ų2730.5 Ų30.517%0.16617%0.169CC..Hα-helixtrans-86.7-30.2-178.659.30000112.4L473 E479 C503L473-T477 HydrophobicContact CD1-CG2 3.82Å; L473-T477 PolarHBondContact O-N 2.91Å; L473-T477 PolarHBondContact O-OG1 3.14Å; T477-E479 PolarHBondContact O-N 2.91Å; T477-E479 PolarHBondContact OG1-N 3.46Å; T477-E479 PolarHBondContact OG1-O 2.67Å; T477-C503 HydrophobicContact CG2-CB 4.12Å; T477-C503 WeakPolarHBondContact CG2-O 3.42Å
478G91.3Very high92.6Very high38 Ų3833.7 Ų33.739%0.39219%0.189SC..SBendtrans73.47-16500000113.5E474E474-G478 WeakPolarHBondContact O-CA 3.43Å; E474-G478 PolarHBondContact O-N 3.39Å
479E90.9Very high91.8Very high63 Ų6336.3 Ų36.329%0.29421%0.211SC..SBendtrans-113.7143.8-177.8-67.1178.1-167.800111.2T477 C503 R506T477-E479 PolarHBondContact O-N 2.91Å; T477-E479 PolarHBondContact OG1-N 3.46Å; T477-E479 PolarHBondContact OG1-O 2.67Å; E479-C503 HydrophobicContact CB-CB 4.21Å; E479-C503 WeakPolarHBondContact OE2-CB 3.41Å; E479-R506 VanDerWaalsContact CD-NE 3.29Å; E479-R506 IonicContact OE1-CZ 3.34Å; E479-R506 IonicContact OE1-NE 3.02Å; E479-R506 PolarHBondContact OE1-NE 2.86Å; E479-R506 IonicContact OE1-NH2 3.91Å; E479-R506 IonicContact OE2-CZ 3Å; E479-R506 IonicContact OE2-NE 2.69Å; E479-R506 PolarHBondContact OE2-NE 2.81Å; E479-R506 IonicContact OE2-NH2 3.44Å; E479-R506 PolarHBondContact OE2-NH2 2.71Å
480Y90.8Very high91.5Very high58 Ų5838.2 Ų38.223%0.22722%0.222CC..  trans-72.2130.5178.4-167.6-106.5000111.2T446 E448 F449 S483T446-Y480 WeakPolarHBondContact CG2-OH 3.48Å; E448-Y480 HydrophobicContact CB-CE1 3.9Å; E448-Y480 HydrophobicContact CG-CE1 3.64Å; E448-Y480 WeakPolarHBondContact OE2-CE1 3.46Å; E448-Y480 PolarHBondContact OE2-OH 3.19Å; F449-Y480 AromaticContact CE2-CE2 3.48Å; F449-Y480 HydrophobicContact CE2-CE2 3.48Å; F449-Y480 VanDerWaalsContact CE2-CE2 3.48Å; F449-Y480 AromaticContact CE2-CZ 3.68Å; F449-Y480 VanDerWaalsContact CE2-OH 3.27Å; F449-Y480 WeakPolarHBondContact CE2-OH 3.49Å; F449-Y480 HydrophobicContact CZ-CD2 4.3Å; F449-Y480 AromaticContact CZ-CE2 3.55Å; F449-Y480 HydrophobicContact CZ-CE2 3.55Å; Y480-S483 VanDerWaalsContact O-CB 3.3Å; Y480-S483 WeakPolarHBondContact O-CB 3.37Å; Y480-S483 PolarHBondContact O-N 3.3Å; Y480-S483 PolarHBondContact O-OG 3.38Å
481P93.1Very high91.1Very high0 Ų038.3 Ų38.30%022%0.223CC..THydrogen-bonded Turntrans-57141.3178.8-26.835.9000113.1F449 M470 L473 E474 S483 P501F449-P481 HydrophobicContact CE1-CG 4.45Å; M470-P481 HydrophobicContact CB-CG 4.27Å; M470-P481 HydrophobicContact SD-CB 3.96Å; M470-P481 HydrophobicContact SD-CG 4.26Å; L473-P481 HydrophobicContact CD2-CB 4.49Å; L473-P481 HydrophobicContact CD2-CG 4.42Å; E474-P481 HydrophobicContact CB-CG 4.41Å; P481-S483 PolarHBondContact O-N 3.06Å; P481-P501 HydrophobicContact CB-CG 4.27Å
482Y94Very high90.5Very high7 Ų742.7 Ų42.73%0.02724%0.24CC..THydrogen-bonded Turntrans57.123-177.3-64.5-67.8000115.6M470 E484 C485 I491 K494 V495 V499 P501M470-Y482 HydrophobicContact CE-CE2 3.83Å; Y482-E484 VanDerWaalsContact CA-OE2 3.25Å; Y482-E484 WeakPolarHBondContact CA-OE2 3.43Å; Y482-E484 PolarHBondContact O-N 3.3Å; Y482-C485 VanDerWaalsContact O-CB 3.31Å; Y482-C485 WeakPolarHBondContact O-CB 3.43Å; Y482-C485 PolarHBondContact O-N 3.41Å; Y482-I491 HydrophobicContact CD2-CG2 3.85Å; Y482-I491 HydrophobicContact CE2-CG2 4.42Å; Y482-I491 HydrophobicContact CG-CG2 4.07Å; Y482-K494 HydrophobicContact CD1-CD 3.94Å; Y482-K494 HydrophobicContact CE1-CB 3.91Å; Y482-K494 HydrophobicContact CE1-CD 3.89Å; Y482-V495 HydrophobicContact CD2-CG2 4.43Å; Y482-V495 HydrophobicContact CE2-CG2 3.52Å; Y482-V499 WeakPolarHBondContact CE1-O 3.38Å; Y482-V499 PolarHBondContact OH-O 3.39Å; Y482-P501 HydrophobicContact CD1-CB 4.14Å; Y482-P501 HydrophobicContact CD1-CG 4.1Å; Y482-P501 HydrophobicContact CD2-CG 3.93Å; Y482-P501 HydrophobicContact CE1-CB 4.22Å; Y482-P501 HydrophobicContact CE1-CG 3.87Å; Y482-P501 HydrophobicContact CE2-CG 3.68Å; Y482-P501 HydrophobicContact CG-CB 4.32Å; Y482-P501 HydrophobicContact CG-CG 4.13Å
483S92Very high90Very high71 Ų7149.3 Ų49.350%0.49727%0.265SS..THydrogen-bonded Turntrans-58.1-17.9177.654.80000114.8Y480 P481 C485Y480-S483 VanDerWaalsContact O-CB 3.3Å; Y480-S483 WeakPolarHBondContact O-CB 3.37Å; Y480-S483 PolarHBondContact O-N 3.3Å; Y480-S483 PolarHBondContact O-OG 3.38Å; P481-S483 PolarHBondContact O-N 3.06Å; S483-C485 PolarHBondContact O-N 3.12Å
484E92Very high89.8Confident53 Ų5351.6 Ų51.625%0.24828%0.275CS..THydrogen-bonded Turntrans-74.3-4.6172.377.7-73.2172.100114Y482 K494 E502Y482-E484 VanDerWaalsContact CA-OE2 3.25Å; Y482-E484 WeakPolarHBondContact CA-OE2 3.43Å; Y482-E484 PolarHBondContact O-N 3.3Å; E484-K494 IonicContact OE1-NZ 3.16Å; E484-K494 PolarHBondContact OE1-NZ 2.82Å; E484-E502 HydrophobicContact CB-CB 4.45Å; E484-E502 WeakPolarHBondContact CB-OE2 3.22Å; E484-E502 HydrophobicContact CG-CB 4.01Å
485C91.6Very high89.6Confident17 Ų1751.5 Ų51.512%0.11528%0.275CS..  trans-103120.2-176.8-58.20000112.3Y482 S483 N487 T490 I491 K494Y482-C485 VanDerWaalsContact O-CB 3.31Å; Y482-C485 WeakPolarHBondContact O-CB 3.43Å; Y482-C485 PolarHBondContact O-N 3.41Å; S483-C485 PolarHBondContact O-N 3.12Å; C485-N487 VanDerWaalsContact C-N 3.3Å; C485-N487 PolarHBondContact O-N 3.27Å; C485-T490 HydrophobicContact CB-CG2 4.4Å; C485-I491 HydrophobicContact CB-CD1 4.15Å; C485-I491 HydrophobicContact CB-CG1 3.43Å; C485-I491 VanDerWaalsContact CB-CG1 3.43Å; C485-K494 PolarHBondContact SG-NZ 2.98Å; C485-K494 VanDerWaalsContact SG-NZ 3.41Å
486M87.6Confident89.1Confident192 Ų19255 Ų5595%0.94629%0.293SS*.SBendtrans-72.3-14.4-178-62.2-173.175.800115.3
487N83.7Confident88.9Confident73 Ų7357.5 Ų57.539%0.3931%0.312SS..SBendtrans-152.6153.2-179.761.449.2000114.2C485 A489 T490 I491C485-N487 VanDerWaalsContact C-N 3.3Å; C485-N487 PolarHBondContact O-N 3.27Å; N487-A489 VanDerWaalsContact C-N 3.27Å; N487-A489 PolarHBondContact O-N 2.9Å; N487-T490 PolarHBondContact O-N 3.12Å; N487-T490 WeakPolarHBondContact OD1-CB 3.41Å; N487-T490 PolarHBondContact OD1-N 2.97Å; N487-T490 PolarHBondContact OD1-OG1 3.46Å; N487-I491 PolarHBondContact O-N 2.94Å
488P80.9Confident88.7Confident69 Ų6957.9 Ų57.945%0.44832%0.321SS..Hα-helixtrans-52.7-35.6177.2-32.938.8000115.5P447 T490 I491 Y492P447-P488 HydrophobicContact CB-CB 3.98Å; P447-P488 HydrophobicContact CG-CB 3.67Å; P447-P488 HydrophobicContact CG-CG 3.68Å; P488-T490 VanDerWaalsContact C-N 3.29Å; P488-T490 PolarHBondContact O-N 3.26Å; P488-I491 WeakPolarHBondContact O-CB 3.36Å; P488-I491 PolarHBondContact O-N 3.02Å; P488-Y492 WeakPolarHBondContact O-CB 3.34Å; P488-Y492 PolarHBondContact O-N 2.83Å
489A81.6Confident88.9Confident55 Ų5559.4 Ų59.446%0.45532%0.323SS..Hα-helixtrans-65.9-32179.500000112.6N487 R493N487-A489 VanDerWaalsContact C-N 3.27Å; N487-A489 PolarHBondContact O-N 2.9Å; A489-R493 WeakPolarHBondContact O-CG 3.42Å; A489-R493 PolarHBondContact O-N 3.28Å; A489-R493 VanDerWaalsContact O-N 3.1Å; A489-R493 PolarHBondContact O-NE 2.77Å
490T89.6Confident89.1Confident40 Ų4059.6 Ų59.625%0.24532%0.323CS..Hα-helixtrans-74.4-37.2174.9-56.70000111.5C485 N487 P488 R493 K494C485-T490 HydrophobicContact CB-CG2 4.4Å; N487-T490 PolarHBondContact O-N 3.12Å; N487-T490 WeakPolarHBondContact OD1-CB 3.41Å; N487-T490 PolarHBondContact OD1-N 2.97Å; N487-T490 PolarHBondContact OD1-OG1 3.46Å; P488-T490 VanDerWaalsContact C-N 3.29Å; P488-T490 PolarHBondContact O-N 3.26Å; T490-R493 PolarHBondContact O-N 3.04Å; T490-R493 PolarHBondContact OG1-NH2 2.89Å; T490-K494 PolarHBondContact O-N 2.94Å
491I88.2Confident89.3Confident3 Ų357 Ų572%0.01531%0.313CS..Hα-helixtrans-62.1-51.6173.7-61.3154.4000109.8E448 Y482 C485 N487 P488 R493 K494 V495E448-I491 HydrophobicContact CG-CD1 3.63Å; E448-I491 HydrophobicContact CG-CG1 4.48Å; E448-I491 HydrophobicContact CG-CG2 4.46Å; E448-I491 WeakPolarHBondContact OE1-CD1 3.41Å; Y482-I491 HydrophobicContact CD2-CG2 3.85Å; Y482-I491 HydrophobicContact CE2-CG2 4.42Å; Y482-I491 HydrophobicContact CG-CG2 4.07Å; C485-I491 HydrophobicContact CB-CD1 4.15Å; C485-I491 HydrophobicContact CB-CG1 3.43Å; C485-I491 VanDerWaalsContact CB-CG1 3.43Å; N487-I491 PolarHBondContact O-N 2.94Å; P488-I491 WeakPolarHBondContact O-CB 3.36Å; P488-I491 PolarHBondContact O-N 3.02Å; I491-R493 PolarHBondContact O-N 3.46Å; I491-K494 WeakPolarHBondContact O-CB 3.42Å; I491-K494 PolarHBondContact O-N 3.28Å; I491-V495 HydrophobicContact CG2-CG2 4.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.26Å; I491-V495 PolarHBondContact O-N 2.65Å
492Y83.1Confident89.4Confident91 Ų9161.4 Ų61.436%0.35733%0.333SS..Hα-helixtrans-53.1-49.1175176.6-106.5000112.2Y455 P488 K494 V495 I496Y455-Y492 HydrophobicContact CD1-CD2 4.38Å; Y455-Y492 HydrophobicContact CD1-CE2 4.28Å; Y455-Y492 AromaticContact CD2-CD2 3.79Å; Y455-Y492 HydrophobicContact CD2-CD2 3.79Å; Y455-Y492 AromaticContact CD2-CE2 3.67Å; Y455-Y492 HydrophobicContact CD2-CE2 3.67Å; Y455-Y492 HydrophobicContact CE1-CD2 4.27Å; Y455-Y492 AromaticContact CE2-CD2 3.67Å; Y455-Y492 HydrophobicContact CE2-CD2 3.67Å; Y455-Y492 HydrophobicContact CE2-CE2 4.07Å; Y455-Y492 HydrophobicContact CG-CD2 4.15Å; Y455-Y492 AromaticContact CG-CE2 3.78Å; Y455-Y492 HydrophobicContact CG-CE2 3.78Å; Y455-Y492 AromaticContact CZ-CD2 3.92Å; P488-Y492 WeakPolarHBondContact O-CB 3.34Å; P488-Y492 PolarHBondContact O-N 2.83Å; Y492-K494 VanDerWaalsContact C-N 3.34Å; Y492-K494 PolarHBondContact O-N 2.9Å; Y492-V495 PolarHBondContact O-N 3.19Å; Y492-I496 HydrophobicContact CD1-CD1 4.28Å; Y492-I496 HydrophobicContact CD2-CG2 4.1Å; Y492-I496 HydrophobicContact CE1-CD1 3.85Å; Y492-I496 HydrophobicContact CE1-CG2 4.33Å; Y492-I496 HydrophobicContact CE2-CG2 3.66Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.12Å
493R87.6Confident89.4Confident139 Ų13961.1 Ų61.153%0.52533%0.332SS..Hα-helixtrans-58.9-39.4175.9-76.4-179.5-63.6-1504.3113.3A489 T490 I491 I496 S497A489-R493 WeakPolarHBondContact O-CG 3.42Å; A489-R493 PolarHBondContact O-N 3.28Å; A489-R493 VanDerWaalsContact O-N 3.1Å; A489-R493 PolarHBondContact O-NE 2.77Å; T490-R493 PolarHBondContact O-N 3.04Å; T490-R493 PolarHBondContact OG1-NH2 2.89Å; I491-R493 PolarHBondContact O-N 3.46Å; R493-I496 WeakPolarHBondContact O-CG1 3.35Å; R493-S497 WeakPolarHBondContact O-CB 3.48Å; R493-S497 PolarHBondContact O-N 3.32Å; R493-S497 PolarHBondContact O-OG 3.17Å
494K91.8Very high89.5Confident49 Ų4958.8 Ų58.821%0.21331%0.313CS..Hα-helixtrans-66.1-46174.3-79.5-169.3177.4-179.50111.9Y482 E484 C485 T490 I491 Y492 S497 G498 V499Y482-K494 HydrophobicContact CD1-CD 3.94Å; Y482-K494 HydrophobicContact CE1-CB 3.91Å; Y482-K494 HydrophobicContact CE1-CD 3.89Å; E484-K494 IonicContact OE1-NZ 3.16Å; E484-K494 PolarHBondContact OE1-NZ 2.82Å; C485-K494 PolarHBondContact SG-NZ 2.98Å; C485-K494 VanDerWaalsContact SG-NZ 3.41Å; T490-K494 PolarHBondContact O-N 2.94Å; I491-K494 WeakPolarHBondContact O-CB 3.42Å; I491-K494 PolarHBondContact O-N 3.28Å; Y492-K494 VanDerWaalsContact C-N 3.34Å; Y492-K494 PolarHBondContact O-N 2.9Å; K494-S497 CarbonylContact O-C 3.57Å; K494-S497 PolarHBondContact O-N 3.29Å; K494-S497 PolarHBondContact O-OG 3.36Å; K494-S497 VanDerWaalsContact O-OG 3.1Å; K494-G498 PolarHBondContact O-N 2.97Å; K494-V499 HydrophobicContact CB-CB 3.96Å; K494-V499 HydrophobicContact CB-CG1 4.32Å; K494-V499 HydrophobicContact CD-CB 4.47Å; K494-V499 HydrophobicContact CD-CG1 3.92Å; K494-V499 HydrophobicContact CG-CB 4Å; K494-V499 HydrophobicContact CG-CG1 3.92Å; K494-V499 PolarHBondContact O-N 3.31Å
495V89.2Confident89.6Confident6 Ų660.1 Ų60.14%0.03633%0.329CS..Hα-helixtrans-63.4-47.3-177.3173.40000111.4P452 Y466 Y482 I491 Y492 S497 G498P452-V495 HydrophobicContact CB-CG1 3.98Å; P452-V495 HydrophobicContact CG-CG1 4.08Å; Y466-V495 WeakPolarHBondContact OH-CG1 3.36Å; Y466-V495 WeakPolarHBondContact OH-CG2 3.36Å; Y482-V495 HydrophobicContact CD2-CG2 4.43Å; Y482-V495 HydrophobicContact CE2-CG2 3.52Å; I491-V495 HydrophobicContact CG2-CG2 4.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.26Å; I491-V495 PolarHBondContact O-N 2.65Å; Y492-V495 PolarHBondContact O-N 3.19Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.06Å; V495-G498 PolarHBondContact O-N 3.23Å
496I86.1Confident89.7Confident77 Ų7764.2 Ų64.240%0.39534%0.341SS..Hα-helixtrans-67.8-27.8178.468.3-177.8000113.3P452 Y492 R493P452-I496 HydrophobicContact CB-CG2 4.02Å; Y492-I496 HydrophobicContact CD1-CD1 4.28Å; Y492-I496 HydrophobicContact CD2-CG2 4.1Å; Y492-I496 HydrophobicContact CE1-CD1 3.85Å; Y492-I496 HydrophobicContact CE1-CG2 4.33Å; Y492-I496 HydrophobicContact CE2-CG2 3.66Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.12Å; R493-I496 WeakPolarHBondContact O-CG1 3.35Å
497S89Confident89.9Confident80 Ų8055.5 Ų55.556%0.55930%0.299SS*.THydrogen-bonded Turntrans-88.1-0175.757.50000113.9R493 K494 V495 V499R493-S497 WeakPolarHBondContact O-CB 3.48Å; R493-S497 PolarHBondContact O-N 3.32Å; R493-S497 PolarHBondContact O-OG 3.17Å; K494-S497 CarbonylContact O-C 3.57Å; K494-S497 PolarHBondContact O-N 3.29Å; K494-S497 PolarHBondContact O-OG 3.36Å; K494-S497 VanDerWaalsContact O-OG 3.1Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.06Å; S497-V499 PolarHBondContact O-N 2.95Å
498G89.5Confident90.1Very high35 Ų3554 Ų5436%0.36129%0.293SS..THydrogen-bonded Turntrans73.211.8-179.700000115.2K494 V495 K500K494-G498 PolarHBondContact O-N 2.97Å; V495-G498 PolarHBondContact O-N 3.23Å; G498-K500 PolarHBondContact O-N 3.03Å; G498-K500 VanDerWaalsContact O-N 3.12Å
499V94.3Very high90.3Very high70 Ų7055.2 Ų55.242%0.42431%0.309SS..  trans-70.8105.9171.9179.70000108.3Y482 K494 S497Y482-V499 WeakPolarHBondContact CE1-O 3.38Å; Y482-V499 PolarHBondContact OH-O 3.39Å; K494-V499 HydrophobicContact CB-CB 3.96Å; K494-V499 HydrophobicContact CB-CG1 4.32Å; K494-V499 HydrophobicContact CD-CB 4.47Å; K494-V499 HydrophobicContact CD-CG1 3.92Å; K494-V499 HydrophobicContact CG-CB 4Å; K494-V499 HydrophobicContact CG-CG1 3.92Å; K494-V499 PolarHBondContact O-N 3.31Å; S497-V499 PolarHBondContact O-N 2.95Å
500K95.4Very high90.3Very high67 Ų6757.2 Ų57.229%0.29131%0.309SS..  trans-64.4159.2178-70.6-172.3168.177.80112G498 F504 D519 I522G498-K500 PolarHBondContact O-N 3.03Å; G498-K500 VanDerWaalsContact O-N 3.12Å; K500-F504 HydrophobicContact CB-CB 4.27Å; K500-F504 HydrophobicContact CB-CD1 4.36Å; K500-F504 HydrophobicContact CB-CG 4.32Å; K500-F504 HydrophobicContact CD-CD1 3.5Å; K500-F504 VanDerWaalsContact CD-CD1 3.5Å; K500-F504 HydrophobicContact CD-CD2 4.01Å; K500-F504 HydrophobicContact CD-CE1 3.46Å; K500-F504 VanDerWaalsContact CD-CE1 3.46Å; K500-F504 HydrophobicContact CD-CE2 3.98Å; K500-F504 HydrophobicContact CD-CG 3.78Å; K500-F504 HydrophobicContact CD-CZ 3.72Å; K500-D519 WeakPolarHBondContact CE-OD1 3.24Å; K500-D519 IonicContact NZ-OD1 3.95Å; K500-D519 PolarHBondContact NZ-OD1 3.02Å; K500-I522 HydrophobicContact CD-CD1 4.01Å; K500-I522 HydrophobicContact CG-CD1 4.05Å
501P94.7Very high90.1Very high3 Ų358.8 Ų58.82%0.01931%0.311CS..  trans-55.7147172.4-24.333.8000112.2M470 L473 P481 Y482 C503 F504M470-P501 HydrophobicContact CE-CG 3.95Å; M470-P501 HydrophobicContact SD-CG 4.05Å; L473-P501 HydrophobicContact CD2-CB 4.01Å; L473-P501 HydrophobicContact CD2-CG 3.81Å; P481-P501 HydrophobicContact CB-CG 4.27Å; Y482-P501 HydrophobicContact CD1-CB 4.14Å; Y482-P501 HydrophobicContact CD1-CG 4.1Å; Y482-P501 HydrophobicContact CD2-CG 3.93Å; Y482-P501 HydrophobicContact CE1-CB 4.22Å; Y482-P501 HydrophobicContact CE1-CG 3.87Å; Y482-P501 HydrophobicContact CE2-CG 3.68Å; Y482-P501 HydrophobicContact CG-CB 4.32Å; Y482-P501 HydrophobicContact CG-CG 4.13Å; P501-C503 VanDerWaalsContact C-N 3.25Å; P501-C503 PolarHBondContact O-N 2.98Å; P501-F504 WeakPolarHBondContact O-CB 3.22Å; P501-F504 PolarHBondContact O-N 3.24Å
502E94.7Very high89.9Confident93 Ų9362.1 Ų62.144%0.43533%0.333SS..G310 helixtrans-58.6-39.9177.8-167.5-172.4108.200111.9E484 F504 S505 R506E484-E502 HydrophobicContact CB-CB 4.45Å; E484-E502 WeakPolarHBondContact CB-OE2 3.22Å; E484-E502 HydrophobicContact CG-CB 4.01Å; E502-F504 PolarHBondContact O-N 2.79Å; E502-F504 VanDerWaalsContact O-N 3.12Å; E502-S505 WeakPolarHBondContact O-CB 3.14Å; E502-S505 PolarHBondContact O-N 2.75Å; E502-S505 PolarHBondContact O-OG 3.04Å; E502-R506 IonicContact OE1-CZ 2.76Å; E502-R506 IonicContact OE1-NH1 2.69Å; E502-R506 PolarHBondContact OE1-NH1 3.13Å; E502-R506 IonicContact OE1-NH2 3.68Å; E502-R506 PolarHBondContact OE1-NH2 3.41Å
503C94.2Very high90.1Very high0 Ų060.8 Ų60.80%033%0.329CS..G310 helixtrans-64.6-13.617865.40000114.1T477 E479 P501 S505 R506T477-C503 HydrophobicContact CG2-CB 4.12Å; T477-C503 WeakPolarHBondContact CG2-O 3.42Å; E479-C503 HydrophobicContact CB-CB 4.21Å; E479-C503 WeakPolarHBondContact OE2-CB 3.41Å; P501-C503 VanDerWaalsContact C-N 3.25Å; P501-C503 PolarHBondContact O-N 2.98Å; C503-S505 PolarHBondContact O-N 2.82Å; C503-R506 PolarHBondContact O-N 3.29Å
504F95.6Very high90.4Very high22 Ų2254.2 Ų54.210%0.09631%0.305CS..G310 helixtrans-63.2-27.9169.1-178.1-94.1000112.2L473 K500 P501 E502 R506 I507 R515 I518 D519 I522L473-F504 HydrophobicContact CD1-CB 4.48Å; K500-F504 HydrophobicContact CB-CB 4.27Å; K500-F504 HydrophobicContact CB-CD1 4.36Å; K500-F504 HydrophobicContact CB-CG 4.32Å; K500-F504 HydrophobicContact CD-CD1 3.5Å; K500-F504 VanDerWaalsContact CD-CD1 3.5Å; K500-F504 HydrophobicContact CD-CD2 4.01Å; K500-F504 HydrophobicContact CD-CE1 3.46Å; K500-F504 VanDerWaalsContact CD-CE1 3.46Å; K500-F504 HydrophobicContact CD-CE2 3.98Å; K500-F504 HydrophobicContact CD-CG 3.78Å; K500-F504 HydrophobicContact CD-CZ 3.72Å; P501-F504 WeakPolarHBondContact O-CB 3.22Å; P501-F504 PolarHBondContact O-N 3.24Å; E502-F504 PolarHBondContact O-N 2.79Å; E502-F504 VanDerWaalsContact O-N 3.12Å; F504-R506 VanDerWaalsContact C-N 3.33Å; F504-I507 HydrophobicContact CD2-CD1 3.6Å; F504-I507 HydrophobicContact CE2-CD1 3.88Å; F504-I507 HydrophobicContact CG-CD1 4.13Å; F504-I507 WeakPolarHBondContact O-CD1 3.35Å; F504-I507 WeakPolarHBondContact O-CG1 3.34Å; F504-R515 HydrophobicContact CE1-CG 4.37Å; F504-R515 HydrophobicContact CE2-CG 4.31Å; F504-R515 HydrophobicContact CZ-CG 3.87Å; F504-I518 HydrophobicContact CD2-CG2 3.8Å; F504-I518 HydrophobicContact CE2-CB 4.14Å; F504-I518 HydrophobicContact CE2-CG2 3.75Å; F504-D519 HydrophobicContact CZ-CB 4.19Å; F504-I522 HydrophobicContact CD2-CD1 4.04Å; F504-I522 HydrophobicContact CE2-CD1 4.34Å
505S93.7Very high90.4Very high82 Ų8257.9 Ų57.957%0.57332%0.317SS*.THydrogen-bonded Turntrans-73.8-24.9171.870.60000113.1E502 C503 I507E502-S505 WeakPolarHBondContact O-CB 3.14Å; E502-S505 PolarHBondContact O-N 2.75Å; E502-S505 PolarHBondContact O-OG 3.04Å; C503-S505 PolarHBondContact O-N 2.82Å; S505-I507 VanDerWaalsContact C-N 3.33Å
506R92.4Very high90.7Very high102 Ų10262.7 Ų62.739%0.38534%0.339SS..THydrogen-bonded Turntrans-85.44.5179.5-67-167.2-84.5-85.75.1114.2E479 E502 C503 F504 P508E479-R506 VanDerWaalsContact CD-NE 3.29Å; E479-R506 IonicContact OE1-CZ 3.34Å; E479-R506 IonicContact OE1-NE 3.02Å; E479-R506 PolarHBondContact OE1-NE 2.86Å; E479-R506 IonicContact OE1-NH2 3.91Å; E479-R506 IonicContact OE2-CZ 3Å; E479-R506 IonicContact OE2-NE 2.69Å; E479-R506 PolarHBondContact OE2-NE 2.81Å; E479-R506 IonicContact OE2-NH2 3.44Å; E479-R506 PolarHBondContact OE2-NH2 2.71Å; E502-R506 IonicContact OE1-CZ 2.76Å; E502-R506 IonicContact OE1-NH1 2.69Å; E502-R506 PolarHBondContact OE1-NH1 3.13Å; E502-R506 IonicContact OE1-NH2 3.68Å; E502-R506 PolarHBondContact OE1-NH2 3.41Å; C503-R506 PolarHBondContact O-N 3.29Å; F504-R506 VanDerWaalsContact C-N 3.33Å; R506-P508 WeakPolarHBondContact O-CD 3.37Å
507I92.8Very high91.1Very high9 Ų959 Ų595%0.04632%0.321CS..SBendtrans-60.7123.7171.6-63.6166.6000108.9L473 V476 F504 S505 A509 R515 I518L473-I507 HydrophobicContact CD1-CD1 3.94Å; L473-I507 HydrophobicContact CD1-CG1 3.87Å; V476-I507 HydrophobicContact CG1-CG2 4.15Å; F504-I507 HydrophobicContact CD2-CD1 3.6Å; F504-I507 HydrophobicContact CE2-CD1 3.88Å; F504-I507 HydrophobicContact CG-CD1 4.13Å; F504-I507 WeakPolarHBondContact O-CD1 3.35Å; F504-I507 WeakPolarHBondContact O-CG1 3.34Å; S505-I507 VanDerWaalsContact C-N 3.33Å; I507-A509 PolarHBondContact O-N 2.62Å; I507-R515 HydrophobicContact CD1-CB 4.16Å; I507-R515 HydrophobicContact CD1-CG 4.05Å; I507-R515 HydrophobicContact CG2-CB 4.03Å; I507-I518 HydrophobicContact CD1-CD1 3.7Å; I507-I518 HydrophobicContact CG1-CD1 4.38Å
508P88.4Confident91.5Very high43 Ų4355.2 Ų55.228%0.27929%0.294SS..  trans-60.4130.2-174-23.833.1000112.9R506 Q510 Y511R506-P508 WeakPolarHBondContact O-CD 3.37Å; P508-Q510 PolarHBondContact O-N 2.8Å; P508-Y511 HydrophobicContact CB-CD2 4.12Å; P508-Y511 PolarHBondContact O-N 2.94Å
509A85.2Confident91.8Very high93 Ų9355.5 Ų55.577%0.76929%0.287SS*.THydrogen-bonded Turntrans-61.9-18.5-171.600000114.5I507 Y511I507-A509 PolarHBondContact O-N 2.62Å; A509-Y511 PolarHBondContact O-N 2.84Å
510Q80.7Confident91.8Very high98 Ų9854.2 Ų54.246%0.45827%0.274SS..THydrogen-bonded Turntrans-75.1-2.4173.772.5-86.937.600114.6P508 P512 R635P508-Q510 PolarHBondContact O-N 2.8Å; Q510-P512 VanDerWaalsContact C-CD 3.43Å; Q510-R635 PolarHBondContact O-NH1 2.72Å
511Y84.6Confident91.9Very high73 Ų7351 Ų5129%0.28626%0.261SS..  trans-125.858.8175.9-53.2-60.8000112.7I381 P508 A509 E513 I514 R515I381-Y511 HydrophobicContact CD1-CE1 4.46Å; I381-Y511 HydrophobicContact CG1-CE1 4.19Å; P508-Y511 HydrophobicContact CB-CD2 4.12Å; P508-Y511 PolarHBondContact O-N 2.94Å; A509-Y511 PolarHBondContact O-N 2.84Å; Y511-E513 VanDerWaalsContact CA-OE2 3.3Å; Y511-E513 WeakPolarHBondContact CA-OE2 3.44Å; Y511-E513 PolarHBondContact O-N 3.3Å; Y511-I514 HydrophobicContact CD1-CD1 4.35Å; Y511-I514 HydrophobicContact CD2-CD1 4.36Å; Y511-I514 HydrophobicContact CG-CD1 3.87Å; Y511-I514 WeakPolarHBondContact O-CB 3.25Å; Y511-I514 PolarHBondContact O-N 3.07Å; Y511-I514 VanDerWaalsContact O-N 3.14Å; Y511-R515 PolarHBondContact O-N 3.31Å
512P84.9Confident91.9Very high73 Ų7351.4 Ų51.447%0.47426%0.263SS..Hα-helixtrans-59.1-31.3-17927.3-35.9000112.8Q510 I514 R515 E516Q510-P512 VanDerWaalsContact C-CD 3.43Å; P512-I514 VanDerWaalsContact C-N 3.32Å; P512-I514 PolarHBondContact O-N 2.76Å; P512-R515 WeakPolarHBondContact O-CB 3.41Å; P512-R515 PolarHBondContact O-N 2.96Å; P512-E516 PolarHBondContact O-N 3.39Å
513E87.1Confident91.9Very high62 Ų6250.8 Ų50.829%0.2926%0.256SS..Hα-helixtrans-67.1-32.8179.376.8-73.8-173.200112.3Y511 E516 I517 F540Y511-E513 VanDerWaalsContact CA-OE2 3.3Å; Y511-E513 WeakPolarHBondContact CA-OE2 3.44Å; Y511-E513 PolarHBondContact O-N 3.3Å; E513-E516 PolarHBondContact O-N 3.34Å; E513-I517 WeakPolarHBondContact O-CD1 3.49Å; E513-I517 VanDerWaalsContact O-CG1 3.25Å; E513-I517 WeakPolarHBondContact O-CG1 3.42Å; E513-I517 PolarHBondContact O-N 2.86Å; E513-F540 HydrophobicContact CG-CB 4.47Å; E513-F540 HydrophobicContact CG-CD2 3.33Å; E513-F540 HydrophobicContact CG-CE2 3.85Å; E513-F540 HydrophobicContact CG-CG 4.2Å; E513-F540 WeakPolarHBondContact OE1-CE2 3.45Å
514I93.3Very high91.7Very high1 Ų153.4 Ų53.41%0.00527%0.272CS..Hα-helixtrans-67.5-42.4173.3-61.3-177.8000110.4I381 L472 V476 Y511 P512 E516 I517 I518 F540I381-I514 HydrophobicContact CD1-CD1 3.66Å; L472-I514 HydrophobicContact CD1-CG2 4.28Å; L472-I514 HydrophobicContact CG-CG2 4.43Å; V476-I514 HydrophobicContact CG1-CG2 4.41Å; V476-I514 HydrophobicContact CG2-CD1 4.45Å; V476-I514 HydrophobicContact CG2-CG2 3.64Å; Y511-I514 HydrophobicContact CD1-CD1 4.35Å; Y511-I514 HydrophobicContact CD2-CD1 4.36Å; Y511-I514 HydrophobicContact CG-CD1 3.87Å; Y511-I514 WeakPolarHBondContact O-CB 3.25Å; Y511-I514 PolarHBondContact O-N 3.07Å; Y511-I514 VanDerWaalsContact O-N 3.14Å; P512-I514 VanDerWaalsContact C-N 3.32Å; P512-I514 PolarHBondContact O-N 2.76Å; I514-E516 VanDerWaalsContact C-N 3.31Å; I514-E516 PolarHBondContact O-N 3.28Å; I514-I517 PolarHBondContact O-N 3.08Å; I514-I518 HydrophobicContact CG2-CD1 3.81Å; I514-I518 HydrophobicContact CG2-CG1 4.39Å; I514-I518 WeakPolarHBondContact O-CG1 3.44Å; I514-I518 PolarHBondContact O-N 3.15Å; I514-F540 HydrophobicContact CD1-CE2 3.87Å; I514-F540 HydrophobicContact CD1-CZ 3.63Å; I514-F540 HydrophobicContact CG1-CD2 4.34Å; I514-F540 HydrophobicContact CG1-CE1 4.23Å; I514-F540 HydrophobicContact CG1-CE2 3.42Å; I514-F540 VanDerWaalsContact CG1-CE2 3.42Å; I514-F540 HydrophobicContact CG1-CZ 3.38Å
515R93.5Very high91.3Very high127 Ų12759.4 Ų59.448%0.47929%0.294SS..Hα-helixtrans-62.3-39.2178.2-177173.2173.4176-3.4111.8F504 I507 Y511 P512 D519F504-R515 HydrophobicContact CE1-CG 4.37Å; F504-R515 HydrophobicContact CE2-CG 4.31Å; F504-R515 HydrophobicContact CZ-CG 3.87Å; I507-R515 HydrophobicContact CD1-CB 4.16Å; I507-R515 HydrophobicContact CD1-CG 4.05Å; I507-R515 HydrophobicContact CG2-CB 4.03Å; Y511-R515 PolarHBondContact O-N 3.31Å; P512-R515 WeakPolarHBondContact O-CB 3.41Å; P512-R515 PolarHBondContact O-N 2.96Å; R515-D519 PolarHBondContact O-N 2.91Å
516E94Very high91Very high106 Ų10659.5 Ų59.550%0.49528%0.282SS..Hα-helixtrans-66.7-44.3175.2-162.6-149.6111.900112.2P512 E513 I514 I518 D519 R520P512-E516 PolarHBondContact O-N 3.39Å; E513-E516 PolarHBondContact O-N 3.34Å; I514-E516 VanDerWaalsContact C-N 3.31Å; I514-E516 PolarHBondContact O-N 3.28Å; E516-I518 PolarHBondContact O-N 2.94Å; E516-D519 PolarHBondContact O-N 2.93Å; E516-R520 WeakPolarHBondContact O-CB 3.37Å; E516-R520 WeakPolarHBondContact O-CG 3.44Å; E516-R520 PolarHBondContact O-N 3.49Å; E516-R520 IonicContact OE1-CZ 3.92Å; E516-R520 IonicContact OE1-NE 3.76Å; E516-R520 PolarHBondContact OE1-NE 3.41Å; E516-R520 IonicContact OE1-NH2 3.04Å; E516-R520 PolarHBondContact OE1-NH2 3.12Å
517I95.8Very high90.8Very high1 Ų161.1 Ų61.11%0.00529%0.294CS..Hα-helixtrans-61.1-45175.8-71.5163.9000111L472 E513 I514 R520 C521 L535 F540 F541L472-I517 HydrophobicContact CD2-CB 4.47Å; L472-I517 HydrophobicContact CD2-CG2 3.62Å; E513-I517 WeakPolarHBondContact O-CD1 3.49Å; E513-I517 VanDerWaalsContact O-CG1 3.25Å; E513-I517 WeakPolarHBondContact O-CG1 3.42Å; E513-I517 PolarHBondContact O-N 2.86Å; I514-I517 PolarHBondContact O-N 3.08Å; I517-R520 PolarHBondContact O-N 3.13Å; I517-C521 PolarHBondContact O-N 3.48Å; I517-C521 PolarHBondContact O-SG 2.74Å; I517-L535 HydrophobicContact CG2-CD2 4.22Å; I517-F540 HydrophobicContact CD1-CB 3.51Å; I517-F540 HydrophobicContact CD1-CD1 3.61Å; I517-F540 HydrophobicContact CD1-CE1 4.47Å; I517-F540 HydrophobicContact CD1-CG 3.65Å; I517-F541 HydrophobicContact CD1-CD2 4.48Å; I517-F541 HydrophobicContact CD1-CE2 3.96Å; I517-F541 HydrophobicContact CD1-CZ 4.34Å; I517-F541 HydrophobicContact CG2-CE2 3.73Å; I517-F541 HydrophobicContact CG2-CZ 4.02Å
518I96.9Very high90.8Very high0 Ų064.3 Ų64.30%031%0.309CS..Hα-helixtrans-62.2-47.7176.1-65.3165.1000109.9L472 L473 F504 I507 I514 E516 R520 C521 I522L472-I518 HydrophobicContact CB-CG1 4.26Å; L472-I518 HydrophobicContact CD2-CD1 4.43Å; L472-I518 HydrophobicContact CD2-CG1 3.65Å; L472-I518 HydrophobicContact CG-CD1 4Å; L472-I518 HydrophobicContact CG-CG1 3.67Å; L473-I518 HydrophobicContact CB-CD1 4.2Å; L473-I518 HydrophobicContact CB-CG2 4.34Å; L473-I518 HydrophobicContact CD1-CD1 4.24Å; F504-I518 HydrophobicContact CD2-CG2 3.8Å; F504-I518 HydrophobicContact CE2-CB 4.14Å; F504-I518 HydrophobicContact CE2-CG2 3.75Å; I507-I518 HydrophobicContact CD1-CD1 3.7Å; I507-I518 HydrophobicContact CG1-CD1 4.38Å; I514-I518 HydrophobicContact CG2-CD1 3.81Å; I514-I518 HydrophobicContact CG2-CG1 4.39Å; I514-I518 WeakPolarHBondContact O-CG1 3.44Å; I514-I518 PolarHBondContact O-N 3.15Å; E516-I518 PolarHBondContact O-N 2.94Å; I518-R520 VanDerWaalsContact C-N 3.32Å; I518-R520 PolarHBondContact O-N 2.92Å; I518-C521 PolarHBondContact O-N 3.09Å; I518-I522 HydrophobicContact CG2-CD1 3.93Å; I518-I522 HydrophobicContact CG2-CG1 4.27Å; I518-I522 HydrophobicContact CG2-CG2 4.24Å; I518-I522 WeakPolarHBondContact O-CG1 3.35Å; I518-I522 PolarHBondContact O-N 3.5Å
519D95.3Very high91.1Very high40 Ų4063 Ų6321%0.21430%0.298CS..Hα-helixtrans-53.7-48.3176-179.183.9000111.9K500 F504 R515 E516 C521 I522 R523K500-D519 WeakPolarHBondContact CE-OD1 3.24Å; K500-D519 IonicContact NZ-OD1 3.95Å; K500-D519 PolarHBondContact NZ-OD1 3.02Å; F504-D519 HydrophobicContact CZ-CB 4.19Å; R515-D519 PolarHBondContact O-N 2.91Å; E516-D519 PolarHBondContact O-N 2.93Å; D519-C521 PolarHBondContact O-N 3.5Å; D519-I522 PolarHBondContact O-N 3.31Å; D519-R523 WeakPolarHBondContact O-CG 3.39Å; D519-R523 IonicContact OD2-CZ 3.55Å; D519-R523 IonicContact OD2-NE 2.69Å; D519-R523 PolarHBondContact OD2-NE 2.93Å; D519-R523 IonicContact OD2-NH2 2.69Å; D519-R523 PolarHBondContact OD2-NH2 3.33Å
520R95.5Very high91.4Very high43 Ų4359.2 Ų59.216%0.16227%0.266CS..Hα-helixtrans-64-18.9177.2-78.6-165.5-81.6122.4-10.5114.2E516 I517 I518 R529 S530 D538E516-R520 WeakPolarHBondContact O-CB 3.37Å; E516-R520 WeakPolarHBondContact O-CG 3.44Å; E516-R520 PolarHBondContact O-N 3.49Å; E516-R520 IonicContact OE1-CZ 3.92Å; E516-R520 IonicContact OE1-NE 3.76Å; E516-R520 PolarHBondContact OE1-NE 3.41Å; E516-R520 IonicContact OE1-NH2 3.04Å; E516-R520 PolarHBondContact OE1-NH2 3.12Å; I517-R520 PolarHBondContact O-N 3.13Å; I518-R520 VanDerWaalsContact C-N 3.32Å; I518-R520 PolarHBondContact O-N 2.92Å; R520-R529 CarbonylContact O-C 3.53Å; R520-R529 VanDerWaalsContact O-CA 3.27Å; R520-R529 WeakPolarHBondContact O-CA 3.34Å; R520-S530 PolarHBondContact NH1-OG 3.18Å; R520-S530 PolarHBondContact O-N 2.84Å; R520-D538 IonicContact CZ-OD2 2.78Å; R520-D538 IonicContact NH1-OD2 3.99Å; R520-D538 PolarHBondContact NH1-OD2 2.86Å; R520-D538 IonicContact NH2-OD2 3.72Å; R520-D538 PolarHBondContact NH2-OD2 3.49Å
521C96.9Very high92.1Very high0 Ų058 Ų580%027%0.265CS..Hα-helixtrans-91-41.6174.6-64.30000112.3V465 I517 I518 D519 R523 R529V465-C521 HydrophobicContact CG1-CB 4.21Å; I517-C521 PolarHBondContact O-N 3.48Å; I517-C521 PolarHBondContact O-SG 2.74Å; I518-C521 PolarHBondContact O-N 3.09Å; D519-C521 PolarHBondContact O-N 3.5Å; C521-R523 PolarHBondContact O-N 3.25Å; C521-R529 WeakPolarHBondContact O-CD 3.5Å
522I95.2Very high92.6Very high12 Ų1254.9 Ų54.96%0.06225%0.254CS..SBendtrans-93.824.2-170.173.9174.1000114.7Y466 M470 K500 F504 I518 D519Y466-I522 HydrophobicContact CD2-CB 4.21Å; Y466-I522 HydrophobicContact CE2-CB 4.05Å; M470-I522 HydrophobicContact CE-CB 4.09Å; M470-I522 HydrophobicContact CE-CD1 4.22Å; M470-I522 HydrophobicContact CE-CG2 3.9Å; M470-I522 HydrophobicContact CG-CG2 4.23Å; M470-I522 HydrophobicContact SD-CG2 4.01Å; K500-I522 HydrophobicContact CD-CD1 4.01Å; K500-I522 HydrophobicContact CG-CD1 4.05Å; F504-I522 HydrophobicContact CD2-CD1 4.04Å; F504-I522 HydrophobicContact CE2-CD1 4.34Å; I518-I522 HydrophobicContact CG2-CD1 3.93Å; I518-I522 HydrophobicContact CG2-CG1 4.27Å; I518-I522 HydrophobicContact CG2-CG2 4.24Å; I518-I522 WeakPolarHBondContact O-CG1 3.35Å; I518-I522 PolarHBondContact O-N 3.5Å; D519-I522 PolarHBondContact O-N 3.31Å
523R93.8Very high93Very high79 Ų7958.4 Ų58.430%0.29826%0.262SS..  trans-69.5144.6178-57.8-164.8172.5157.2-10.8111.9D519 C521 E528 R529D519-R523 WeakPolarHBondContact O-CG 3.39Å; D519-R523 IonicContact OD2-CZ 3.55Å; D519-R523 IonicContact OD2-NE 2.69Å; D519-R523 PolarHBondContact OD2-NE 2.93Å; D519-R523 IonicContact OD2-NH2 2.69Å; D519-R523 PolarHBondContact OD2-NH2 3.33Å; C521-R523 PolarHBondContact O-N 3.25Å; R523-E528 HydrophobicContact CB-CB 4.39Å; R523-E528 WeakPolarHBondContact CD-O 3.48Å; R523-E528 PolarHBondContact NH1-O 3.22Å; R523-R529 HydrophobicContact CB-CG 4.11Å; R523-R529 PolarHBondContact O-NE 3.42Å; R523-R529 PolarHBondContact O-NH2 3.12Å
524V89.3Confident93.3Very high56 Ų5660.4 Ų60.434%0.33927%0.271SS..SBendtrans-60.5-59.7179.5-172.90000110.5P452 R526 R529P452-V524 HydrophobicContact CG-CG1 4.21Å; V524-R526 PolarHBondContact O-N 3.24Å; V524-R529 PolarHBondContact O-NH2 2.98Å
525R87.2Confident93.4Very high147 Ų14760.3 Ų60.356%0.55527%0.271SS*.SBendtrans-70.9120177.3-74-177.5-77.5113.98.6110E527 E528R525-E527 PolarHBondContact O-N 3.34Å; R525-E528 HydrophobicContact CB-CG 4.25Å; R525-E528 IonicContact CZ-OE1 2.72Å; R525-E528 IonicContact CZ-OE2 3.6Å; R525-E528 VanDerWaalsContact CZ-OE2 3.28Å; R525-E528 IonicContact NE-OE2 3.31Å; R525-E528 IonicContact NH1-OE1 3.6Å; R525-E528 PolarHBondContact NH1-OE1 2.65Å; R525-E528 IonicContact NH1-OE2 3.27Å; R525-E528 IonicContact NH2-OE1 3.74Å; R525-E528 PolarHBondContact NH2-OE1 3.1Å; R525-E528 IonicContact NH2-OE2 2.72Å; R525-E528 PolarHBondContact NH2-OE2 3.35Å; R525-E528 PolarHBondContact O-N 2.97Å; R525-E528 VanDerWaalsContact O-N 3.16Å
526R87.9Confident93.3Very high84 Ų8456.5 Ų56.532%0.31726%0.259SS..G310 helixtrans-60.7-33.5-176.461.5176.8178.7-160.4-7.3113.1M458 S462 V524 E528 R529M458-R526 PolarHBondContact O-NH1 3.48Å; S462-R526 WeakPolarHBondContact OG-CB 3.32Å; V524-R526 PolarHBondContact O-N 3.24Å; R526-E528 PolarHBondContact O-N 2.82Å; R526-R529 WeakPolarHBondContact O-CB 3.37Å; R526-R529 PolarHBondContact O-N 2.96Å; R526-R529 VanDerWaalsContact O-N 3.1Å
527E88.9Confident93Very high136 Ų13656.8 Ų56.864%0.63627%0.268SS*.G310 helixtrans-67-18-179.2-60.175.6-16500112.6R525R525-E527 PolarHBondContact O-N 3.34Å
528E92Very high92.6Very high77 Ų7758 Ų5836%0.3628%0.275SS..G310 helixtrans-93.2-6.1176.3-60.4-169.6140.300113.7R523 R525 R526R523-E528 HydrophobicContact CB-CB 4.39Å; R523-E528 WeakPolarHBondContact CD-O 3.48Å; R523-E528 PolarHBondContact NH1-O 3.22Å; R525-E528 HydrophobicContact CB-CG 4.25Å; R525-E528 IonicContact CZ-OE1 2.72Å; R525-E528 IonicContact CZ-OE2 3.6Å; R525-E528 VanDerWaalsContact CZ-OE2 3.28Å; R525-E528 IonicContact NE-OE2 3.31Å; R525-E528 IonicContact NH1-OE1 3.6Å; R525-E528 PolarHBondContact NH1-OE1 2.65Å; R525-E528 IonicContact NH1-OE2 3.27Å; R525-E528 IonicContact NH2-OE1 3.74Å; R525-E528 PolarHBondContact NH2-OE1 3.1Å; R525-E528 IonicContact NH2-OE2 2.72Å; R525-E528 PolarHBondContact NH2-OE2 3.35Å; R525-E528 PolarHBondContact O-N 2.97Å; R525-E528 VanDerWaalsContact O-N 3.16Å; R526-E528 PolarHBondContact O-N 2.82Å
529R94.8Very high91.9Very high15 Ų1561.7 Ų61.76%0.05729%0.294CS..SBendtrans-77.9145.1-178.8-59.3179.7-164.4146.414.2110.8E453 S462 V465 R520 C521 R523 V524 R526 T531E453-R529 IonicContact OE1-CZ 2.77Å; E453-R529 IonicContact OE1-NH1 3.74Å; E453-R529 PolarHBondContact OE1-NH1 3.2Å; E453-R529 IonicContact OE1-NH2 2.65Å; E453-R529 PolarHBondContact OE1-NH2 3.48Å; E453-R529 IonicContact OE2-CZ 3.91Å; E453-R529 IonicContact OE2-NH1 3.34Å; E453-R529 IonicContact OE2-NH2 3.67Å; E453-R529 PolarHBondContact OE2-NH2 3.01Å; S462-R529 PolarHBondContact O-NH1 3.37Å; S462-R529 PolarHBondContact OG-NH1 3.1Å; V465-R529 HydrophobicContact CG1-CB 4.17Å; R520-R529 CarbonylContact O-C 3.53Å; R520-R529 VanDerWaalsContact O-CA 3.27Å; R520-R529 WeakPolarHBondContact O-CA 3.34Å; C521-R529 WeakPolarHBondContact O-CD 3.5Å; R523-R529 HydrophobicContact CB-CG 4.11Å; R523-R529 PolarHBondContact O-NE 3.42Å; R523-R529 PolarHBondContact O-NH2 3.12Å; V524-R529 PolarHBondContact O-NH2 2.98Å; R526-R529 WeakPolarHBondContact O-CB 3.37Å; R526-R529 PolarHBondContact O-N 2.96Å; R526-R529 VanDerWaalsContact O-N 3.1Å; R529-T531 PolarHBondContact O-N 3.03Å
530S93Very high91.4Very high13 Ų1360.1 Ų60.19%0.09129%0.286CS..PPolyproline II helixtrans-69.2125.2174.2-70.80000111.5V465 R520V465-S530 WeakPolarHBondContact CG1-O 3.47Å; R520-S530 PolarHBondContact NH1-OG 3.18Å; R520-S530 PolarHBondContact O-N 2.84Å
531T94.6Very high90.9Very high72 Ų7258.1 Ų58.144%0.44228%0.278SS..PPolyproline II helixtrans-61.7153.2172.863.40000111.3R529 K533 Q534 L535R529-T531 PolarHBondContact O-N 3.03Å; T531-K533 PolarHBondContact O-N 2.99Å; T531-K533 VanDerWaalsContact O-N 3.09Å; T531-Q534 WeakPolarHBondContact O-CB 3.34Å; T531-Q534 PolarHBondContact O-N 2.76Å; T531-Q534 WeakPolarHBondContact OG1-CG 3.43Å; T531-Q534 PolarHBondContact OG1-N 2.89Å; T531-Q534 PolarHBondContact OG1-OE1 2.82Å; T531-L535 PolarHBondContact O-N 3.15Å
532V95.8Very high90Very high9 Ų959.8 Ų59.86%0.05529%0.289CS..Hα-helixtrans-55.7-30.8175.8-177.70000112.1L392 L395 V465 L535 L536L392-V532 HydrophobicContact CB-CG1 4.29Å; L392-V532 HydrophobicContact CD2-CG1 4.01Å; L392-V532 WeakPolarHBondContact O-CG1 3.37Å; L395-V532 HydrophobicContact CB-CG1 4.17Å; L395-V532 HydrophobicContact CB-CG2 4.19Å; V465-V532 HydrophobicContact CG2-CG2 3.72Å; V532-L535 PolarHBondContact O-N 3.11Å; V532-L536 HydrophobicContact CG1-CD1 4.25Å; V532-L536 WeakPolarHBondContact O-CB 3.49Å; V532-L536 WeakPolarHBondContact O-CG 3.44Å; V532-L536 PolarHBondContact O-N 3.06Å
533K93.1Very high88.8Confident146 Ų14660.3 Ų60.364%0.63529%0.293SS*.Hα-helixtrans-65.8-45.7173.5-68.7179.5-179.7174.30112.3T531 L535 L536 V537T531-K533 PolarHBondContact O-N 2.99Å; T531-K533 VanDerWaalsContact O-N 3.09Å; K533-L535 VanDerWaalsContact C-N 3.35Å; K533-L536 PolarHBondContact O-N 3.41Å; K533-V537 PolarHBondContact O-N 2.64Å
534Q93.1Very high87.4Confident104 Ų10460.3 Ų60.349%0.48630%0.296SS..Hα-helixtrans-63.8-40175.2-74.6158.4-44.900111.5T531 L536 V537 D538T531-Q534 WeakPolarHBondContact O-CB 3.34Å; T531-Q534 PolarHBondContact O-N 2.76Å; T531-Q534 WeakPolarHBondContact OG1-CG 3.43Å; T531-Q534 PolarHBondContact OG1-N 2.89Å; T531-Q534 PolarHBondContact OG1-OE1 2.82Å; Q534-L536 PolarHBondContact O-N 2.64Å; Q534-V537 WeakPolarHBondContact O-CG2 3.3Å; Q534-V537 PolarHBondContact O-N 3.24Å; Q534-D538 PolarHBondContact O-N 3.18Å; Q534-D538 VanDerWaalsContact O-N 3.11Å
535L95Very high86Confident0 Ų064.2 Ų64.20%032%0.315CS..Hα-helixtrans-66.4-34.3175.5-65.2172.2000112.5L392 V465 F468 I517 T531 V532 K533 V537 D538 F541L392-L535 HydrophobicContact CD1-CB 3.87Å; L392-L535 HydrophobicContact CD2-CB 3.85Å; L392-L535 HydrophobicContact CD2-CD1 3.8Å; L392-L535 HydrophobicContact CD2-CG 4.49Å; V465-L535 HydrophobicContact CG1-CD1 4.31Å; F468-L535 HydrophobicContact CD1-CD1 4.1Å; F468-L535 HydrophobicContact CE1-CD1 4.12Å; I517-L535 HydrophobicContact CG2-CD2 4.22Å; T531-L535 PolarHBondContact O-N 3.15Å; V532-L535 PolarHBondContact O-N 3.11Å; K533-L535 VanDerWaalsContact C-N 3.35Å; L535-V537 VanDerWaalsContact C-N 3.3Å; L535-V537 PolarHBondContact O-N 2.73Å; L535-D538 WeakPolarHBondContact O-CB 3.46Å; L535-D538 PolarHBondContact O-N 2.97Å; L535-F541 VanDerWaalsContact O-CD2 3.24Å; L535-F541 WeakPolarHBondContact O-CD2 3.4Å
536L92.1Very high84.6Confident46 Ų4663.7 Ų63.724%0.24132%0.322CS..Hα-helixtrans-71.9-20.2176.7-80172000114.5L392 K393 V532 K533 Q534L392-L536 HydrophobicContact CB-CD2 3.6Å; L392-L536 HydrophobicContact CB-CG 3.93Å; K393-L536 HydrophobicContact CG-CD2 3.99Å; V532-L536 HydrophobicContact CG1-CD1 4.25Å; V532-L536 WeakPolarHBondContact O-CB 3.49Å; V532-L536 WeakPolarHBondContact O-CG 3.44Å; V532-L536 PolarHBondContact O-N 3.06Å; K533-L536 PolarHBondContact O-N 3.41Å; Q534-L536 PolarHBondContact O-N 2.64Å
537V87.1Confident83.6Confident113 Ų11360.7 Ų60.769%0.68531%0.313SS*.THydrogen-bonded Turntrans-103.66.2173.4-56.30000113K533 Q534 L535K533-V537 PolarHBondContact O-N 2.64Å; Q534-V537 WeakPolarHBondContact O-CG2 3.3Å; Q534-V537 PolarHBondContact O-N 3.24Å; L535-V537 VanDerWaalsContact C-N 3.3Å; L535-V537 PolarHBondContact O-N 2.73Å
538D87.6Confident82.7Confident25 Ų2554.3 Ų54.313%0.13428%0.283CS..SBendtrans-67.8132.7173.6-167.7-64.5000109.5R520 Q534 L535 F540 F541 T542R520-D538 IonicContact CZ-OD2 2.78Å; R520-D538 IonicContact NH1-OD2 3.99Å; R520-D538 PolarHBondContact NH1-OD2 2.86Å; R520-D538 IonicContact NH2-OD2 3.72Å; R520-D538 PolarHBondContact NH2-OD2 3.49Å; Q534-D538 PolarHBondContact O-N 3.18Å; Q534-D538 VanDerWaalsContact O-N 3.11Å; L535-D538 WeakPolarHBondContact O-CB 3.46Å; L535-D538 PolarHBondContact O-N 2.97Å; D538-F540 PolarHBondContact O-N 3.46Å; D538-F540 VanDerWaalsContact O-N 3.1Å; D538-F540 WeakPolarHBondContact OD1-CB 3.14Å; D538-F540 PolarHBondContact OD1-N 2.9Å; D538-F540 VanDerWaalsContact OD1-N 3.08Å; D538-F541 HydrophobicContact CB-CD2 4.12Å; D538-F541 CarbonylContact O-C 3.59Å; D538-F541 WeakPolarHBondContact O-CA 3.28Å; D538-F541 PolarHBondContact O-N 3.48Å; D538-T542 PolarHBondContact O-N 2.96Å; D538-T542 PolarHBondContact O-OG1 3.41Å
539D81.2Confident82.1Confident78 Ų7850.8 Ų50.842%0.41727%0.267SS..G310 helixtrans-54.8-34.4-175.8-66.7-48.1000112.4F541 T542 K624D539-F541 VanDerWaalsContact C-N 3.25Å; D539-F541 PolarHBondContact O-N 2.81Å; D539-T542 PolarHBondContact O-N 3.18Å; D539-K624 IonicContact OD2-NZ 2.66Å; D539-K624 PolarHBondContact OD2-NZ 3.46Å
540F84.8Confident81.5Confident7 Ų752.5 Ų52.53%0.03127%0.273CS..G310 helixtrans-61.9-35.9177.2179.6-97.2000112.3I381 L384 K385 E513 I514 I517 D538I381-F540 HydrophobicContact CD1-CE2 4.01Å; I381-F540 HydrophobicContact CD1-CZ 3.78Å; L384-F540 HydrophobicContact CD2-CE1 4.42Å; L384-F540 HydrophobicContact CD2-CZ 4.23Å; K385-F540 HydrophobicContact CD-CD2 4.47Å; K385-F540 HydrophobicContact CD-CE2 4.24Å; K385-F540 HydrophobicContact CD-CZ 4.24Å; K385-F540 WeakPolarHBondContact CD-O 3.21Å; K385-F540 VanDerWaalsContact CE-O 3.26Å; K385-F540 WeakPolarHBondContact CE-O 3.23Å; K385-F540 HydrophobicContact CG-CD1 4.26Å; K385-F540 HydrophobicContact CG-CE1 3.7Å; K385-F540 HydrophobicContact CG-CE2 4.12Å; K385-F540 HydrophobicContact CG-CZ 3.6Å; K385-F540 PolarHBondContact NZ-O 3.47Å; K385-F540 VanDerWaalsContact NZ-O 3.15Å; E513-F540 HydrophobicContact CG-CB 4.47Å; E513-F540 HydrophobicContact CG-CD2 3.33Å; E513-F540 HydrophobicContact CG-CE2 3.85Å; E513-F540 HydrophobicContact CG-CG 4.2Å; E513-F540 WeakPolarHBondContact OE1-CE2 3.45Å; I514-F540 HydrophobicContact CD1-CE2 3.87Å; I514-F540 HydrophobicContact CD1-CZ 3.63Å; I514-F540 HydrophobicContact CG1-CD2 4.34Å; I514-F540 HydrophobicContact CG1-CE1 4.23Å; I514-F540 HydrophobicContact CG1-CE2 3.42Å; I514-F540 VanDerWaalsContact CG1-CE2 3.42Å; I514-F540 HydrophobicContact CG1-CZ 3.38Å; I517-F540 HydrophobicContact CD1-CB 3.51Å; I517-F540 HydrophobicContact CD1-CD1 3.61Å; I517-F540 HydrophobicContact CD1-CE1 4.47Å; I517-F540 HydrophobicContact CD1-CG 3.65Å; D538-F540 PolarHBondContact O-N 3.46Å; D538-F540 VanDerWaalsContact O-N 3.1Å; D538-F540 WeakPolarHBondContact OD1-CB 3.14Å; D538-F540 PolarHBondContact OD1-N 2.9Å; D538-F540 VanDerWaalsContact OD1-N 3.08Å
541F86.4Confident81.2Confident1 Ų152 Ų520%0.00427%0.269CS..G310 helixtrans-94.7-1.4179.9-64.8-53.8000114C388 R389 L392 F468 L472 I517 L535 D538 D539C388-F541 HydrophobicContact CB-CD1 3.92Å; C388-F541 HydrophobicContact CB-CE1 3.22Å; C388-F541 HydrophobicContact CB-CZ 3.92Å; R389-F541 WeakPolarHBondContact CD-O 3.12Å; R389-F541 HydrophobicContact CG-CB 4.17Å; R389-F541 WeakPolarHBondContact CG-O 3.44Å; R389-F541 PolarHBondContact NH1-O 3.41Å; L392-F541 HydrophobicContact CD1-CD1 4.45Å; L392-F541 HydrophobicContact CD1-CD2 3.8Å; L392-F541 HydrophobicContact CD1-CE2 3.91Å; L392-F541 HydrophobicContact CD1-CG 4.08Å; L392-F541 HydrophobicContact CD1-CZ 4.33Å; F468-F541 HydrophobicContact CE1-CE2 4.45Å; F468-F541 HydrophobicContact CE1-CZ 4.36Å; F468-F541 HydrophobicContact CZ-CE2 4.26Å; F468-F541 AromaticContact CZ-CZ 3.84Å; F468-F541 HydrophobicContact CZ-CZ 3.84Å; L472-F541 HydrophobicContact CD2-CZ 4.31Å; I517-F541 HydrophobicContact CD1-CD2 4.48Å; I517-F541 HydrophobicContact CD1-CE2 3.96Å; I517-F541 HydrophobicContact CD1-CZ 4.34Å; I517-F541 HydrophobicContact CG2-CE2 3.73Å; I517-F541 HydrophobicContact CG2-CZ 4.02Å; L535-F541 VanDerWaalsContact O-CD2 3.24Å; L535-F541 WeakPolarHBondContact O-CD2 3.4Å; D538-F541 HydrophobicContact CB-CD2 4.12Å; D538-F541 CarbonylContact O-C 3.59Å; D538-F541 WeakPolarHBondContact O-CA 3.28Å; D538-F541 PolarHBondContact O-N 3.48Å; D539-F541 VanDerWaalsContact C-N 3.25Å; D539-F541 PolarHBondContact O-N 2.81Å
542T77.2Confident80.9Confident36 Ų3651 Ų5122%0.22126%0.26CS..SBendtrans-66131.8169.1-49.90000110R389 D538 D539 I547R389-T542 VanDerWaalsContact NH1-C 3.3Å; R389-T542 PolarHBondContact NH1-O 3.17Å; D538-T542 PolarHBondContact O-N 2.96Å; D538-T542 PolarHBondContact O-OG1 3.41Å; D539-T542 PolarHBondContact O-N 3.18Å; T542-I547 HydrophobicContact CG2-CD1 4.11Å; T542-I547 HydrophobicContact CG2-CG1 3.57Å
543P69.8Low80.7Confident22 Ų2251.5 Ų51.514%0.14326%0.262CS..  trans-68.5136.1172.3-15.227.5000111.2D545 L546 I547P543-D545 PolarHBondContact O-N 3.18Å; P543-D545 VanDerWaalsContact O-N 3.12Å; P543-L546 HydrophobicContact CB-CB 4.1Å; P543-L546 HydrophobicContact CB-CD1 4.32Å; P543-L546 HydrophobicContact CG-CB 4.04Å; P543-L546 HydrophobicContact CG-CD1 4.17Å; P543-L546 HydrophobicContact CG-CD2 4.14Å; P543-L546 HydrophobicContact CG-CG 4.34Å; P543-L546 PolarHBondContact O-N 2.75Å; P543-I547 PolarHBondContact O-N 2.69Å
544E65.5Low80.4Confident79 Ų7949.1 Ų49.137%0.36925%0.252SS..Hα-helixtrans-53.2-34.3173.5-69.7179.7-131.500111.1G548 R550E544-G548 PolarHBondContact O-N 2.8Å; E544-R550 WeakPolarHBondContact OE2-CD 3.25Å; E544-R550 IonicContact OE2-CZ 2.64Å; E544-R550 IonicContact OE2-NE 2.72Å; E544-R550 PolarHBondContact OE2-NE 3.22Å; E544-R550 IonicContact OE2-NH2 2.71Å
545D59.6Low80.2Confident138 Ų13848 Ų4874%0.73825%0.249SC*.Hα-helixtrans-69.6-31.8178.8-35.9-66.2000113.4P543 G548P543-D545 PolarHBondContact O-N 3.18Å; P543-D545 VanDerWaalsContact O-N 3.12Å; D545-G548 PolarHBondContact O-N 3.28Å
546L57.9Low79.8Confident136 Ų13651.1 Ų51.171%0.71226%0.261SS*.Hα-helixtrans-83.8-24.9-179.8-104.369.5000112.9P543 G548P543-L546 HydrophobicContact CB-CB 4.1Å; P543-L546 HydrophobicContact CB-CD1 4.32Å; P543-L546 HydrophobicContact CG-CB 4.04Å; P543-L546 HydrophobicContact CG-CD1 4.17Å; P543-L546 HydrophobicContact CG-CD2 4.14Å; P543-L546 HydrophobicContact CG-CG 4.34Å; P543-L546 PolarHBondContact O-N 2.75Å; L546-G548 PolarHBondContact O-N 3.2Å
547I67.1Low79.5Confident22 Ų2254.8 Ų54.811%0.11328%0.281CS..Hα-helixtrans-63.7-31.1167.2-58.6172.5000109.1T542 P543 I549 M621 L625T542-I547 HydrophobicContact CG2-CD1 4.11Å; T542-I547 HydrophobicContact CG2-CG1 3.57Å; P543-I547 PolarHBondContact O-N 2.69Å; I547-I549 HydrophobicContact CG2-CB 4.13Å; I547-I549 WeakPolarHBondContact CG2-O 3.47Å; I547-I549 WeakPolarHBondContact O-CG1 3.42Å; I547-I549 PolarHBondContact O-N 3.07Å; I547-I549 VanDerWaalsContact O-N 3.09Å; I547-M621 HydrophobicContact CD1-SD 4.4Å; I547-M621 HydrophobicContact CG1-SD 4.38Å; I547-M621 HydrophobicContact CG2-CG 3.65Å; I547-M621 HydrophobicContact CG2-SD 3.71Å; I547-L625 HydrophobicContact CD1-CD2 4.44Å; I547-L625 HydrophobicContact CG2-CD1 4.07Å
548G69.3Low79.5Confident2 Ų251.7 Ų51.72%0.02127%0.267CS..  trans69.8-0.8-18000000113.6E544 D545 L546 V573 Y574 D575E544-G548 PolarHBondContact O-N 2.8Å; D545-G548 PolarHBondContact O-N 3.28Å; L546-G548 PolarHBondContact O-N 3.2Å; G548-V573 CarbonylContact O-C 3.5Å; G548-V573 WeakPolarHBondContact O-CA 3.44Å; G548-Y574 PolarHBondContact O-N 2.91Å; G548-D575 PolarHBondContact O-N 3.24Å; G548-D575 VanDerWaalsContact O-N 3.12Å
549I78.7Confident79.5Confident2 Ų251 Ų511%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-139.7136.5-169.1-51.6155000107.4I547 L571 R572 V573 K578 Y582 D618 I622 L625I547-I549 HydrophobicContact CG2-CB 4.13Å; I547-I549 WeakPolarHBondContact CG2-O 3.47Å; I547-I549 WeakPolarHBondContact O-CG1 3.42Å; I547-I549 PolarHBondContact O-N 3.07Å; I547-I549 VanDerWaalsContact O-N 3.09Å; I549-L571 HydrophobicContact CG2-CD1 3.39Å; I549-L571 HydrophobicContact CG2-CG 4.37Å; I549-R572 CarbonylContact C-O 3.56Å; I549-R572 WeakPolarHBondContact CA-O 3.22Å; I549-V573 HydrophobicContact CG1-CG2 4.29Å; I549-V573 HydrophobicContact CG2-CG2 4.44Å; I549-K578 HydrophobicContact CD1-CD 4.31Å; I549-K578 HydrophobicContact CG1-CD 4.47Å; I549-Y582 VanDerWaalsContact CD1-OH 3.25Å; I549-Y582 WeakPolarHBondContact CD1-OH 3.48Å; I549-D618 HydrophobicContact CD1-CB 4.03Å; I549-I622 HydrophobicContact CD1-CD1 4.37Å; I549-I622 HydrophobicContact CD1-CG1 4.4Å; I549-I622 HydrophobicContact CG2-CD1 4.12Å; I549-I622 HydrophobicContact CG2-CG1 3.97Å; I549-L625 HydrophobicContact CB-CD1 4.28Å; I549-L625 HydrophobicContact CG2-CD1 4.1Å
550R82.2Confident79.7Confident52 Ų5248.6 Ų48.620%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-142.9134.7-173.8-163.8163.1170.7-87.5-22.6110.6E544 E552 R572 Y574E544-R550 WeakPolarHBondContact OE2-CD 3.25Å; E544-R550 IonicContact OE2-CZ 2.64Å; E544-R550 IonicContact OE2-NE 2.72Å; E544-R550 PolarHBondContact OE2-NE 3.22Å; E544-R550 IonicContact OE2-NH2 2.71Å; R550-E552 IonicContact CZ-OE1 3.87Å; R550-E552 IonicContact NH1-OE1 3.35Å; R550-E552 PolarHBondContact NH1-OE1 3.45Å; R550-E552 IonicContact NH1-OE2 2.67Å; R550-E552 IonicContact NH2-OE1 3.26Å; R550-E552 PolarHBondContact NH2-OE1 3.35Å; R550-R572 PolarHBondContact N-O 3.24Å; R550-R572 PolarHBondContact O-N 3.11Å; R550-Y574 HydrophobicContact CB-CD2 4Å; R550-Y574 HydrophobicContact CB-CE2 3.76Å; R550-Y574 HydrophobicContact CG-CE2 4.45Å
551V88Confident79.8Confident1 Ų152.3 Ų52.31%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-108.2127.7175.2178.70000109.3M569 Q570 L571 L625 I626 K629V551-M569 HydrophobicContact CG1-CE 3.72Å; V551-Q570 WeakPolarHBondContact CA-O 3.25Å; V551-L571 HydrophobicContact CG2-CD1 3.68Å; V551-L625 HydrophobicContact CB-CB 4.24Å; V551-L625 HydrophobicContact CG2-CB 3.69Å; V551-L625 HydrophobicContact CG2-CD1 4.37Å; V551-I626 HydrophobicContact CG1-CG1 4.29Å; V551-I626 HydrophobicContact CG2-CG1 4.14Å; V551-K629 HydrophobicContact CB-CG 4.22Å; V551-K629 HydrophobicContact CG1-CB 4.46Å; V551-K629 HydrophobicContact CG1-CG 4.09Å; V551-K629 WeakPolarHBondContact O-CD 3.12Å; V551-K629 WeakPolarHBondContact O-CE 3.33Å; V551-K629 PolarHBondContact O-NZ 3.41Å
552E87.7Confident79.8Confident51 Ų5157.8 Ų57.824%0.23830%0.3CS..EExtended strand (participates in β ladder)trans-122.2152.7175-60-165.2120.600110.4R550 M569 Q570 R572R550-E552 IonicContact CZ-OE1 3.87Å; R550-E552 IonicContact NH1-OE1 3.35Å; R550-E552 PolarHBondContact NH1-OE1 3.45Å; R550-E552 IonicContact NH1-OE2 2.67Å; R550-E552 IonicContact NH2-OE1 3.26Å; R550-E552 PolarHBondContact NH2-OE1 3.35Å; E552-M569 CarbonylContact O-C 3.6Å; E552-M569 WeakPolarHBondContact O-CA 3.49Å; E552-Q570 PolarHBondContact N-O 3.34Å; E552-Q570 PolarHBondContact O-N 3.48Å; E552-R572 IonicContact OE2-CZ 3.22Å; E552-R572 VanDerWaalsContact OE2-CZ 3.26Å; E552-R572 IonicContact OE2-NH1 2.77Å; E552-R572 PolarHBondContact OE2-NH1 2.94Å; E552-R572 IonicContact OE2-NH2 2.74Å; E552-R572 PolarHBondContact OE2-NH2 3.37Å
553I90.9Very high80.3Confident20 Ų2058.5 Ų58.510%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-99.5120.4168.6-60.1170.7000105.8R556 I567 Q568 M569 F633I553-R556 HydrophobicContact CB-CB 4.26Å; I553-R556 HydrophobicContact CG2-CB 4.16Å; I553-I567 HydrophobicContact CD1-CD1 3.85Å; I553-I567 HydrophobicContact CG1-CD1 4.24Å; I553-I567 HydrophobicContact CG2-CB 4.36Å; I553-Q568 CarbonylContact C-O 3.5Å; I553-Q568 WeakPolarHBondContact CA-O 3.43Å; I553-M569 HydrophobicContact CG1-CE 4.11Å; I553-M569 HydrophobicContact CG1-CG 4.38Å; I553-F633 HydrophobicContact CD1-CB 3.81Å; I553-F633 HydrophobicContact CD1-CD2 3.67Å; I553-F633 HydrophobicContact CD1-CG 4Å
554K87.8Confident81.1Confident96 Ų9660.2 Ų60.242%0.41731%0.31SS..THydrogen-bonded Turntrans-66.8-45.9-168.5-96.6-165.1173.6-173.90113.1Q568 Q570K554-Q568 PolarHBondContact N-O 3.2Å; K554-Q570 HydrophobicContact CG-CB 4.29Å
555N88.9Confident82.2Confident80 Ų8058.8 Ų58.843%0.42831%0.306SS..THydrogen-bonded Turntrans-109.629.4-172.3-61.7-10.3000111.7D557 A558 D559N555-D557 VanDerWaalsContact C-N 3.25Å; N555-D557 PolarHBondContact O-N 3.39Å; N555-A558 HydrophobicContact CB-CB 4.5Å; N555-A558 PolarHBondContact O-N 3.01Å; N555-D559 WeakPolarHBondContact CB-OD2 3.3Å; N555-D559 PolarHBondContact O-N 2.87Å
556R87.1Confident83.8Confident67 Ų6756.2 Ų56.225%0.25329%0.29SS..Hα-helixtrans-41.8-50-167.3-175-178.2-17988.9-5113.2I553 L560 A632 F633 D636I553-R556 HydrophobicContact CB-CB 4.26Å; I553-R556 HydrophobicContact CG2-CB 4.16Å; R556-L560 WeakPolarHBondContact O-CB 3.27Å; R556-L560 PolarHBondContact O-N 3.17Å; R556-A632 PolarHBondContact NH2-O 2.69Å; R556-F633 HydrophobicContact CG-CD2 4.1Å; R556-F633 HydrophobicContact CG-CE2 4.05Å; R556-D636 IonicContact CZ-OD2 3.7Å; R556-D636 IonicContact NE-OD2 3.93Å; R556-D636 VanDerWaalsContact NH2-CG 3.27Å; R556-D636 IonicContact NH2-OD1 3.97Å; R556-D636 IonicContact NH2-OD2 2.76Å; R556-D636 PolarHBondContact NH2-OD2 3.03Å
557D85.4Confident85.5Confident123 Ų12349.8 Ų49.866%0.65826%0.256SS*.Hα-helixtrans-73.8-27.6-173.1-49.4-38.1000113N555 N561N555-D557 VanDerWaalsContact C-N 3.25Å; N555-D557 PolarHBondContact O-N 3.39Å; D557-N561 PolarHBondContact O-N 3.25Å; D557-N561 PolarHBondContact O-ND2 2.87Å
558A85.8Confident86.7Confident48 Ų4851.6 Ų51.640%0.39726%0.264SS..Hα-helixtrans-76.3-50.7171.700000110.1N555 L560 N561 D562N555-A558 HydrophobicContact CB-CB 4.5Å; N555-A558 PolarHBondContact O-N 3.01Å; A558-L560 PolarHBondContact O-N 2.75Å; A558-L560 VanDerWaalsContact O-N 3.14Å; A558-N561 PolarHBondContact O-N 2.95Å; A558-D562 PolarHBondContact O-N 3.32Å
559D88.2Confident87.9Confident11 Ų1151.5 Ų51.56%0.05926%0.263CS..Hα-helixtrans-56.5-34.1179.1-65.5-31.9000112.3N555 L563 N564 I567 F633N555-D559 WeakPolarHBondContact CB-OD2 3.3Å; N555-D559 PolarHBondContact O-N 2.87Å; D559-L563 WeakPolarHBondContact O-CA 3.28Å; D559-L563 PolarHBondContact O-N 2.85Å; D559-L563 VanDerWaalsContact O-N 3.16Å; D559-N564 HydrophobicContact CB-CB 4.18Å; D559-N564 PolarHBondContact O-N 2.84Å; D559-N564 PolarHBondContact OD1-ND2 3.02Å; D559-I567 HydrophobicContact CB-CG2 3.93Å; D559-F633 HydrophobicContact CB-CE2 4.09Å; D559-F633 HydrophobicContact CB-CZ 3.72Å
560L86.3Confident88.4Confident27 Ų2751.9 Ų51.914%0.14127%0.265CS..Hα-helixtrans-77.7-29.5178.1-155.782.6000113.6R556 A558 F633 D636 R637R556-L560 WeakPolarHBondContact O-CB 3.27Å; R556-L560 PolarHBondContact O-N 3.17Å; A558-L560 PolarHBondContact O-N 2.75Å; A558-L560 VanDerWaalsContact O-N 3.14Å; L560-F633 HydrophobicContact CB-CE2 4.15Å; L560-F633 HydrophobicContact CB-CZ 4.2Å; L560-F633 HydrophobicContact CD1-CD1 4.47Å; L560-F633 HydrophobicContact CD1-CD2 4.02Å; L560-F633 HydrophobicContact CD1-CE1 4.12Å; L560-F633 HydrophobicContact CD1-CE2 3.64Å; L560-F633 HydrophobicContact CD1-CG 4.43Å; L560-F633 HydrophobicContact CD1-CZ 3.7Å; L560-D636 HydrophobicContact CD1-CB 3.71Å; L560-D636 HydrophobicContact CD2-CB 4.03Å; L560-D636 HydrophobicContact CG-CB 4.5Å; L560-R637 HydrophobicContact CD1-CB 4.2Å
561N85.2Confident88.8Confident85 Ų8549.4 Ų49.446%0.45526%0.256SS..Hα-helixtrans-81.6-39.9177.3-83.8-59.8000111.9D557 A558 L563 R640D557-N561 PolarHBondContact O-N 3.25Å; D557-N561 PolarHBondContact O-ND2 2.87Å; A558-N561 PolarHBondContact O-N 2.95Å; N561-L563 PolarHBondContact O-N 2.86Å; N561-R640 PolarHBondContact OD1-NE 3.1Å; N561-R640 PolarHBondContact OD1-NH2 3.47Å
562D87.6Confident88.6Confident116 Ų11652.6 Ų52.662%0.6227%0.268SS*.THydrogen-bonded Turntrans-78.5-7.3176.3-62.8-27.2000112.5A558 N564A558-D562 PolarHBondContact O-N 3.32Å; D562-N564 VanDerWaalsContact C-N 3.27Å; D562-N564 PolarHBondContact O-N 2.92Å
563L86.7Confident88.4Confident51 Ų5150.7 Ų50.727%0.26726%0.26SS..THydrogen-bonded Turntrans58.633.9-177.5-58.9169.5000113.4D559 N561 R637 R640 L641 I644D559-L563 WeakPolarHBondContact O-CA 3.28Å; D559-L563 PolarHBondContact O-N 2.85Å; D559-L563 VanDerWaalsContact O-N 3.16Å; N561-L563 PolarHBondContact O-N 2.86Å; L563-R637 HydrophobicContact CD2-CG 3.74Å; L563-R640 HydrophobicContact CD2-CG 4.45Å; L563-L641 HydrophobicContact CD1-CD2 3.73Å; L563-L641 HydrophobicContact CD1-CG 4.25Å; L563-L641 HydrophobicContact CD2-CD2 4.4Å; L563-L641 HydrophobicContact CD2-CG 4.01Å; L563-I644 HydrophobicContact CD1-CD1 4.28Å
564N86.9Confident87.6Confident57 Ų5755 Ų5531%0.30528%0.275SS..  trans-56.5140.2-176.5-73.3-23.3000112.4D559 D562D559-N564 HydrophobicContact CB-CB 4.18Å; D559-N564 PolarHBondContact O-N 2.84Å; D559-N564 PolarHBondContact OD1-ND2 3.02Å; D562-N564 VanDerWaalsContact C-N 3.27Å; D562-N564 PolarHBondContact O-N 2.92Å
565V90.1Very high86.9Confident49 Ų4953 Ų5330%0.29727%0.269SS..SBendtrans-91.3-39.6175.3-174.10000111.4D595 I596 E597V565-D595 WeakPolarHBondContact CG1-OD1 3.25Å; V565-I596 WeakPolarHBondContact O-CB 3.44Å; V565-I596 WeakPolarHBondContact O-CG1 3.37Å; V565-I596 PolarHBondContact O-N 3.29Å; V565-E597 HydrophobicContact CG1-CB 4.02Å; V565-E597 HydrophobicContact CG1-CG 3.99Å
566E92.8Very high86.1Confident85 Ų8555.6 Ų55.640%0.39728%0.279SS..EExtended strand (participates in β ladder)trans-85.1114.3169.4-174.1-171.9-174.800109.1R22 A593R22-E566 IonicContact CZ-OE1 3.88Å; R22-E566 IonicContact CZ-OE2 2.84Å; R22-E566 IonicContact NE-OE1 2.76Å; R22-E566 IonicContact NH2-OE1 3.61Å; R22-E566 PolarHBondContact NH2-OE1 3.37Å; R22-E566 IonicContact NH2-OE2 3.52Å; R22-E566 PolarHBondContact NH2-OE2 2.93Å; E566-A593 HydrophobicContact CG-CB 3.98Å; E566-A593 VanDerWaalsContact OE1-CB 3.27Å; E566-A593 WeakPolarHBondContact OE1-CB 3.43Å
567I93Very high85.3Confident0 Ų061.1 Ų61.10%030%0.304CS..EExtended strand (participates in β ladder)trans-108.7146.9175.255.6168.5000111.9I553 D559 M569 A593 F594 I596 F633I553-I567 HydrophobicContact CD1-CD1 3.85Å; I553-I567 HydrophobicContact CG1-CD1 4.24Å; I553-I567 HydrophobicContact CG2-CB 4.36Å; D559-I567 HydrophobicContact CB-CG2 3.93Å; I567-M569 HydrophobicContact CD1-CG 4.23Å; I567-M569 HydrophobicContact CD1-SD 4.36Å; I567-M569 HydrophobicContact CG1-CG 4.32Å; I567-A593 WeakPolarHBondContact O-CA 3.35Å; I567-F594 HydrophobicContact CG1-CB 4.25Å; I567-F594 WeakPolarHBondContact CG1-O 3.45Å; I567-F594 PolarHBondContact N-O 2.87Å; I567-F594 PolarHBondContact O-N 3.4Å; I567-I596 HydrophobicContact CB-CD1 4.48Å; I567-I596 HydrophobicContact CD1-CD1 4.15Å; I567-I596 HydrophobicContact CD1-CG1 4Å; I567-I596 HydrophobicContact CG1-CD1 4.15Å; I567-I596 HydrophobicContact CG1-CG1 3.99Å; I567-I596 HydrophobicContact CG2-CD1 3.6Å; I567-I596 HydrophobicContact CG2-CG1 4.37Å; I567-F633 HydrophobicContact CD1-CG 4.41Å; I567-F633 HydrophobicContact CG2-CD1 4.37Å; I567-F633 HydrophobicContact CG2-CE1 3.84Å; I567-F633 HydrophobicContact CG2-CE2 4.38Å; I567-F633 HydrophobicContact CG2-CZ 3.84Å
568Q93.1Very high84.7Confident61 Ų6157.7 Ų57.729%0.28528%0.284SS..EExtended strand (participates in β ladder)trans-94.3114.7176.3-65.6-164.91.400111.5I553 K554I553-Q568 CarbonylContact C-O 3.5Å; I553-Q568 WeakPolarHBondContact CA-O 3.43Å; K554-Q568 PolarHBondContact N-O 3.2Å
569M92.9Very high83.8Confident0 Ų057.5 Ų57.50%027%0.273CS..EExtended strand (participates in β ladder)trans-104.3153.6179.6-56.1-170.690.200111V551 E552 I553 I567 Q591 F592 F594 I626 K629 V630V551-M569 HydrophobicContact CG1-CE 3.72Å; E552-M569 CarbonylContact O-C 3.6Å; E552-M569 WeakPolarHBondContact O-CA 3.49Å; I553-M569 HydrophobicContact CG1-CE 4.11Å; I553-M569 HydrophobicContact CG1-CG 4.38Å; I567-M569 HydrophobicContact CD1-CG 4.23Å; I567-M569 HydrophobicContact CD1-SD 4.36Å; I567-M569 HydrophobicContact CG1-CG 4.32Å; M569-Q591 WeakPolarHBondContact O-CA 3.36Å; M569-F592 HydrophobicContact CB-CD1 4.25Å; M569-F592 HydrophobicContact CB-CD2 4.03Å; M569-F592 HydrophobicContact CB-CE1 3.76Å; M569-F592 HydrophobicContact CB-CE2 3.51Å; M569-F592 HydrophobicContact CB-CG 4.37Å; M569-F592 HydrophobicContact CB-CZ 3.35Å; M569-F592 HydrophobicContact CG-CE2 4.02Å; M569-F592 HydrophobicContact CG-CZ 4.21Å; M569-F592 PolarHBondContact N-O 2.95Å; M569-F592 PolarHBondContact O-N 3.31Å; M569-F592 VanDerWaalsContact O-O 3.12Å; M569-F592 HydrophobicContact SD-CE2 3.68Å; M569-F592 HydrophobicContact SD-CZ 3.98Å; M569-F594 HydrophobicContact CG-CB 4.08Å; M569-F594 HydrophobicContact SD-CB 3.6Å; M569-F594 HydrophobicContact SD-CD2 4.25Å; M569-F594 HydrophobicContact SD-CG 3.93Å; M569-I626 HydrophobicContact CE-CG2 4.32Å; M569-I626 HydrophobicContact SD-CG2 4.13Å; M569-K629 HydrophobicContact CE-CB 3.64Å; M569-V630 HydrophobicContact CE-CG2 4.01Å; M569-V630 HydrophobicContact SD-CG2 4.1Å
570Q90.5Very high83Confident9 Ų966.1 Ų66.14%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-137.6120178-170.3-1765.800110.4V551 E552 K554 R572 E588 L590V551-Q570 WeakPolarHBondContact CA-O 3.25Å; E552-Q570 PolarHBondContact N-O 3.34Å; E552-Q570 PolarHBondContact O-N 3.48Å; K554-Q570 HydrophobicContact CG-CB 4.29Å; Q570-R572 HydrophobicContact CG-CG 4.21Å; Q570-R572 VanDerWaalsContact NE2-NE 3.12Å; Q570-E588 PolarHBondContact NE2-O 3.44Å; Q570-L590 WeakPolarHBondContact CA-O 3.45Å
571L89.5Confident82.4Confident0 Ų069.3 Ų69.30%032%0.324CS..EExtended strand (participates in β ladder)trans-90.8126171.817774000109.3I549 V551 F584 G589 L590 F592 I614 I622I549-L571 HydrophobicContact CG2-CD1 3.39Å; I549-L571 HydrophobicContact CG2-CG 4.37Å; V551-L571 HydrophobicContact CG2-CD1 3.68Å; L571-F584 HydrophobicContact CD2-CE1 4.27Å; L571-G589 CarbonylContact O-C 3.51Å; L571-G589 VanDerWaalsContact O-CA 3.28Å; L571-G589 WeakPolarHBondContact O-CA 3.33Å; L571-L590 HydrophobicContact CB-CB 4.24Å; L571-L590 HydrophobicContact CD2-CB 4.41Å; L571-L590 HydrophobicContact CD2-CD2 4.19Å; L571-L590 PolarHBondContact N-O 2.81Å; L571-L590 PolarHBondContact O-N 2.7Å; L571-F592 HydrophobicContact CB-CE1 4.19Å; L571-I614 HydrophobicContact CD2-CD1 3.6Å; L571-I614 HydrophobicContact CD2-CG1 4Å; L571-I622 HydrophobicContact CD1-CD1 4.18Å; L571-I622 HydrophobicContact CD1-CG1 4.17Å; L571-I622 HydrophobicContact CD1-CG2 3.96Å; L571-I622 HydrophobicContact CD2-CD1 4.14Å; L571-I622 HydrophobicContact CD2-CG2 4.32Å
572R85.1Confident82Confident68 Ų6865.8 Ų65.826%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-126.2138.7174.5-61.8-168.4-164.1127.29.7111.1I549 R550 E552 Q570 Y574I549-R572 CarbonylContact C-O 3.56Å; I549-R572 WeakPolarHBondContact CA-O 3.22Å; R550-R572 PolarHBondContact N-O 3.24Å; R550-R572 PolarHBondContact O-N 3.11Å; E552-R572 IonicContact OE2-CZ 3.22Å; E552-R572 VanDerWaalsContact OE2-CZ 3.26Å; E552-R572 IonicContact OE2-NH1 2.77Å; E552-R572 PolarHBondContact OE2-NH1 2.94Å; E552-R572 IonicContact OE2-NH2 2.74Å; E552-R572 PolarHBondContact OE2-NH2 3.37Å; Q570-R572 HydrophobicContact CG-CG 4.21Å; Q570-R572 VanDerWaalsContact NE2-NE 3.12Å; R572-Y574 HydrophobicContact CB-CD2 4.24Å; R572-Y574 HydrophobicContact CB-CE2 3.7Å; R572-Y574 PolarHBondContact NH1-OH 2.85Å
573V82.9Confident81.1Confident12 Ų1269 Ų697%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-104.6109.8175.3174.90000108.8G548 I549 K578 R579 Y582 F584G548-V573 CarbonylContact O-C 3.5Å; G548-V573 WeakPolarHBondContact O-CA 3.44Å; I549-V573 HydrophobicContact CG1-CG2 4.29Å; I549-V573 HydrophobicContact CG2-CG2 4.44Å; V573-K578 HydrophobicContact CG1-CB 4.1Å; V573-R579 HydrophobicContact CG1-CB 4.14Å; V573-R579 HydrophobicContact CG1-CG 4.49Å; V573-R579 PolarHBondContact O-NE 3.44Å; V573-Y582 HydrophobicContact CB-CD2 4.41Å; V573-Y582 HydrophobicContact CG1-CD2 4.16Å; V573-Y582 HydrophobicContact CG1-CE2 4.2Å; V573-Y582 HydrophobicContact CG2-CD1 3.9Å; V573-Y582 HydrophobicContact CG2-CD2 3.68Å; V573-Y582 HydrophobicContact CG2-CE1 3.83Å; V573-Y582 HydrophobicContact CG2-CE2 3.61Å; V573-Y582 HydrophobicContact CG2-CG 3.83Å; V573-F584 HydrophobicContact CB-CZ 4.33Å; V573-F584 HydrophobicContact CG2-CE2 4.48Å; V573-F584 HydrophobicContact CG2-CZ 3.74Å
574Y74.7Confident80.4Confident111 Ų11168.3 Ų68.344%0.43530%0.303SS..  trans-86.8-36.3179.9-73.9-91.4000111.6G548 R550 R572 E576 R579G548-Y574 PolarHBondContact O-N 2.91Å; R550-Y574 HydrophobicContact CB-CD2 4Å; R550-Y574 HydrophobicContact CB-CE2 3.76Å; R550-Y574 HydrophobicContact CG-CE2 4.45Å; R572-Y574 HydrophobicContact CB-CD2 4.24Å; R572-Y574 HydrophobicContact CB-CE2 3.7Å; R572-Y574 PolarHBondContact NH1-OH 2.85Å; Y574-E576 PolarHBondContact O-N 2.86Å; Y574-R579 PolarHBondContact O-NH2 3.33Å; Y574-R579 VanDerWaalsContact O-NH2 3.07Å
575D72.7Confident79.2Confident53 Ų5373 Ų7328%0.28332%0.321SS..  trans-67.6115.1176.8176.120.1000111.4G548 K577 K578 R579G548-D575 PolarHBondContact O-N 3.24Å; G548-D575 VanDerWaalsContact O-N 3.12Å; D575-K577 PolarHBondContact O-N 3.14Å; D575-K577 WeakPolarHBondContact OD1-CB 3.46Å; D575-K577 PolarHBondContact OD1-N 3.44Å; D575-K578 HydrophobicContact CB-CB 4.23Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 WeakPolarHBondContact OD2-CG 3.31Å; D575-K578 PolarHBondContact OD2-N 3.48Å; D575-R579 WeakPolarHBondContact O-CB 3.43Å; D575-R579 PolarHBondContact O-N 3.21Å
576E71.1Confident77.7Confident135 Ų13575.8 Ų75.863%0.63133%0.33SS*.THydrogen-bonded Turntrans-67.7-20.7-179.1-165.7159.1-102.100113.4Y574 R579Y574-E576 PolarHBondContact O-N 2.86Å; E576-R579 IonicContact OE1-NH1 2.79Å; E576-R579 PolarHBondContact OE1-NH1 2.95Å
577K71.7Confident75.8Confident182 Ų18278.8 Ų78.879%0.79135%0.349SS*.THydrogen-bonded Turntrans-72.4-53.6171-63.1179.5179.1-179.90110.4D575 R579D575-K577 PolarHBondContact O-N 3.14Å; D575-K577 WeakPolarHBondContact OD1-CB 3.46Å; D575-K577 PolarHBondContact OD1-N 3.44Å; K577-R579 VanDerWaalsContact C-N 3.33Å; K577-R579 PolarHBondContact O-N 2.89Å
578K71.4Confident74.7Confident52 Ų5285 Ų8523%0.22638%0.378CS..G310 helixtrans-62.6-33.9175.8-79.6-172.8173.5-161.40113.6I549 V573 D575 K580 Q581 Y582 D618I549-K578 HydrophobicContact CD1-CD 4.31Å; I549-K578 HydrophobicContact CG1-CD 4.47Å; V573-K578 HydrophobicContact CG1-CB 4.1Å; D575-K578 HydrophobicContact CB-CB 4.23Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 WeakPolarHBondContact OD2-CG 3.31Å; D575-K578 PolarHBondContact OD2-N 3.48Å; K578-K580 PolarHBondContact O-N 3.4Å; K578-Q581 VanDerWaalsContact O-CB 3.27Å; K578-Q581 WeakPolarHBondContact O-CB 3.25Å; K578-Q581 PolarHBondContact O-N 3.18Å; K578-Y582 HydrophobicContact CB-CE2 4.3Å; K578-Y582 WeakPolarHBondContact O-CD2 3.24Å; K578-D618 WeakPolarHBondContact CE-OD2 3.43Å; K578-D618 IonicContact NZ-OD1 2.97Å; K578-D618 PolarHBondContact NZ-OD1 3.28Å; K578-D618 IonicContact NZ-OD2 2.89Å; K578-D618 PolarHBondContact NZ-OD2 3.3Å
579R67.2Low73.9Confident44 Ų4482.9 Ų82.917%0.16637%0.372CS..G310 helixtrans-51.1-33.1-173.7-160.3-178.1-65.7148.410.9114V573 Y574 D575 E576 K577 Q581 Y582 E586V573-R579 HydrophobicContact CG1-CB 4.14Å; V573-R579 HydrophobicContact CG1-CG 4.49Å; V573-R579 PolarHBondContact O-NE 3.44Å; Y574-R579 PolarHBondContact O-NH2 3.33Å; Y574-R579 VanDerWaalsContact O-NH2 3.07Å; D575-R579 WeakPolarHBondContact O-CB 3.43Å; D575-R579 PolarHBondContact O-N 3.21Å; E576-R579 IonicContact OE1-NH1 2.79Å; E576-R579 PolarHBondContact OE1-NH1 2.95Å; K577-R579 VanDerWaalsContact C-N 3.33Å; K577-R579 PolarHBondContact O-N 2.89Å; R579-Q581 VanDerWaalsContact C-N 3.25Å; R579-Q581 PolarHBondContact O-N 2.61Å; R579-Y582 PolarHBondContact O-N 2.66Å; R579-E586 VanDerWaalsContact CD-OE1 3.29Å; R579-E586 WeakPolarHBondContact CD-OE1 3.05Å; R579-E586 WeakPolarHBondContact CD-OE2 3.5Å; R579-E586 HydrophobicContact CG-CG 4.44Å; R579-E586 IonicContact CZ-OE2 3.73Å; R579-E586 IonicContact NE-OE2 2.69Å; R579-E586 IonicContact NH1-OE2 2.76Å; R579-E586 PolarHBondContact NH1-OE2 2.92Å
580K70.7Confident73.7Confident192 Ų19283.9 Ų83.984%0.83538%0.378SS*.G310 helixtrans-67.1-19.4177.3-66177.9-178.6176.50114.9K578K578-K580 PolarHBondContact O-N 3.4Å
581Q73.7Confident73.6Confident93 Ų9387.1 Ų87.144%0.43539%0.393SS..G310 helixtrans-88.9-19-177.7-148.1174.3-15.800111.9K578 R579 P615 E617K578-Q581 VanDerWaalsContact O-CB 3.27Å; K578-Q581 WeakPolarHBondContact O-CB 3.25Å; K578-Q581 PolarHBondContact O-N 3.18Å; R579-Q581 VanDerWaalsContact C-N 3.25Å; R579-Q581 PolarHBondContact O-N 2.61Å; Q581-P615 HydrophobicContact CB-CG 3.89Å; Q581-P615 HydrophobicContact CG-CB 4.03Å; Q581-P615 HydrophobicContact CG-CG 3.65Å; Q581-E617 PolarHBondContact NE2-OE2 3.46Å
582Y77.3Confident73.8Confident12 Ų1287.6 Ų87.65%0.04740%0.395CS..SBendtrans-90.3147.4175.8-69-99.1000111I549 V573 K578 R579 F584 H613 I614 P615 D618 I622I549-Y582 VanDerWaalsContact CD1-OH 3.25Å; I549-Y582 WeakPolarHBondContact CD1-OH 3.48Å; V573-Y582 HydrophobicContact CB-CD2 4.41Å; V573-Y582 HydrophobicContact CG1-CD2 4.16Å; V573-Y582 HydrophobicContact CG1-CE2 4.2Å; V573-Y582 HydrophobicContact CG2-CD1 3.9Å; V573-Y582 HydrophobicContact CG2-CD2 3.68Å; V573-Y582 HydrophobicContact CG2-CE1 3.83Å; V573-Y582 HydrophobicContact CG2-CE2 3.61Å; V573-Y582 HydrophobicContact CG2-CG 3.83Å; K578-Y582 HydrophobicContact CB-CE2 4.3Å; K578-Y582 WeakPolarHBondContact O-CD2 3.24Å; R579-Y582 PolarHBondContact O-N 2.66Å; Y582-F584 HydrophobicContact CD1-CD1 4.37Å; Y582-F584 AromaticContact CD1-CE1 3.58Å; Y582-F584 HydrophobicContact CD1-CE1 3.58Å; Y582-F584 HydrophobicContact CD1-CZ 4.1Å; Y582-F584 HydrophobicContact CE1-CE1 4.45Å; Y582-F584 HydrophobicContact CG-CE1 4.13Å; Y582-F584 HydrophobicContact CG-CZ 4.4Å; Y582-H613 WeakPolarHBondContact CD1-O 3.24Å; Y582-I614 HydrophobicContact CD1-CG1 4.41Å; Y582-I614 HydrophobicContact CE1-CB 4.31Å; Y582-I614 HydrophobicContact CE1-CG1 4.15Å; Y582-I614 HydrophobicContact CE1-CG2 4.14Å; Y582-P615 HydrophobicContact CD2-CG 4.27Å; Y582-P615 VanDerWaalsContact CE1-CD 3.41Å; Y582-P615 HydrophobicContact CE1-CG 4.44Å; Y582-P615 HydrophobicContact CE2-CG 4.04Å; Y582-P615 VanDerWaalsContact CZ-CD 3.48Å; Y582-D618 WeakPolarHBondContact OH-CB 3.37Å; Y582-D618 PolarHBondContact OH-OD2 3.26Å; Y582-I622 HydrophobicContact CE1-CD1 4.03Å; Y582-I622 WeakPolarHBondContact OH-CD1 3.4Å
583R69.8Low74.1Confident184 Ų18485 Ų8569%0.69439%0.388SS*.  trans-92-7.5-176.6-65.2-63.6-162.2173.44.9115.3Q612R583-Q612 WeakPolarHBondContact CB-O 3.2Å; R583-Q612 WeakPolarHBondContact CG-O 3.49Å
584F72Confident74.7Confident36 Ų3684.5 Ų84.516%0.15839%0.385CS..SBendtrans-87.4152.818059.8-103.9000112.5L571 V573 Y582 L590L571-F584 HydrophobicContact CD2-CE1 4.27Å; V573-F584 HydrophobicContact CB-CZ 4.33Å; V573-F584 HydrophobicContact CG2-CE2 4.48Å; V573-F584 HydrophobicContact CG2-CZ 3.74Å; Y582-F584 HydrophobicContact CD1-CD1 4.37Å; Y582-F584 AromaticContact CD1-CE1 3.58Å; Y582-F584 HydrophobicContact CD1-CE1 3.58Å; Y582-F584 HydrophobicContact CD1-CZ 4.1Å; Y582-F584 HydrophobicContact CE1-CE1 4.45Å; Y582-F584 HydrophobicContact CG-CE1 4.13Å; Y582-F584 HydrophobicContact CG-CZ 4.4Å; F584-L590 HydrophobicContact CD1-CB 3.72Å; F584-L590 HydrophobicContact CE1-CB 3.84Å; F584-L590 HydrophobicContact CG-CB 4.27Å; F584-L590 HydrophobicContact CZ-CB 4.49Å
585K61.7Low75.6Confident156 Ų15680.8 Ų80.868%0.67837%0.372SS*.PPolyproline II helixtrans-64148.6-177.7-73.8-178.6-179.1173.20112.4
586E57.2Low76.5Confident106 Ų10678.3 Ų78.350%0.49536%0.359SS..THydrogen-bonded Turntrans-59.4145.3173.4-44.3-149.5168.700111.3R579 E588R579-E586 VanDerWaalsContact CD-OE1 3.29Å; R579-E586 WeakPolarHBondContact CD-OE1 3.05Å; R579-E586 WeakPolarHBondContact CD-OE2 3.5Å; R579-E586 HydrophobicContact CG-CG 4.44Å; R579-E586 IonicContact CZ-OE2 3.73Å; R579-E586 IonicContact NE-OE2 2.69Å; R579-E586 IonicContact NH1-OE2 2.76Å; R579-E586 PolarHBondContact NH1-OE2 2.92Å; E586-E588 PolarHBondContact O-N 2.75Å
587N54.4Low77.4Confident149 Ų14977.1 Ų77.180%0.79735%0.354SS*.THydrogen-bonded Turntrans70.3-31.2-179.5-46.3-63000117.2
588E68.3Low78.4Confident130 Ų13074.5 Ų74.561%0.60735%0.348SS*.THydrogen-bonded Turntrans-78.1-36-179.7-67.1-170.9122.400113.2Q570 E586Q570-E588 PolarHBondContact NE2-O 3.44Å; E586-E588 PolarHBondContact O-N 2.75Å
589G77.8Confident79.5Confident16 Ų1673 Ų7317%0.16534%0.343CS..  trans70.4165.8-178.500000114.1L571 Q591L571-G589 CarbonylContact O-C 3.51Å; L571-G589 VanDerWaalsContact O-CA 3.28Å; L571-G589 WeakPolarHBondContact O-CA 3.33Å; G589-Q591 PolarHBondContact O-N 3.18Å
590L87.2Confident80.8Confident22 Ų2273 Ų7312%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-84.7108.4172.9-179.769.6000109.2Q570 L571 F584 M608 H613 I614Q570-L590 WeakPolarHBondContact CA-O 3.45Å; L571-L590 HydrophobicContact CB-CB 4.24Å; L571-L590 HydrophobicContact CD2-CB 4.41Å; L571-L590 HydrophobicContact CD2-CD2 4.19Å; L571-L590 PolarHBondContact N-O 2.81Å; L571-L590 PolarHBondContact O-N 2.7Å; F584-L590 HydrophobicContact CD1-CB 3.72Å; F584-L590 HydrophobicContact CE1-CB 3.84Å; F584-L590 HydrophobicContact CG-CB 4.27Å; F584-L590 HydrophobicContact CZ-CB 4.49Å; L590-M608 HydrophobicContact CD2-CB 4.34Å; L590-M608 HydrophobicContact CD2-CE 4.23Å; L590-M608 HydrophobicContact CD2-CG 3.88Å; L590-M608 HydrophobicContact CD2-SD 3.87Å; L590-H613 HydrophobicContact CD1-CB 4.22Å; L590-H613 HydrophobicContact CD2-CB 3.83Å; L590-I614 HydrophobicContact CD2-CD1 4.4Å; L590-I614 HydrophobicContact CD2-CG1 4.48Å
591Q89.6Confident81.8Confident76 Ų7664.7 Ų64.736%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-93.9136.1172.2-178.4175.8-14.800110.3M569 G589M569-Q591 WeakPolarHBondContact O-CA 3.36Å; G589-Q591 PolarHBondContact O-N 3.18Å
592F92.4Very high82.7Confident11 Ų1165.1 Ų65.15%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-145.7155.7-17958.3-79.3000110.5M569 L571 F594 V604 M608 I626M569-F592 HydrophobicContact CB-CD1 4.25Å; M569-F592 HydrophobicContact CB-CD2 4.03Å; M569-F592 HydrophobicContact CB-CE1 3.76Å; M569-F592 HydrophobicContact CB-CE2 3.51Å; M569-F592 HydrophobicContact CB-CG 4.37Å; M569-F592 HydrophobicContact CB-CZ 3.35Å; M569-F592 HydrophobicContact CG-CE2 4.02Å; M569-F592 HydrophobicContact CG-CZ 4.21Å; M569-F592 PolarHBondContact N-O 2.95Å; M569-F592 PolarHBondContact O-N 3.31Å; M569-F592 VanDerWaalsContact O-O 3.12Å; M569-F592 HydrophobicContact SD-CE2 3.68Å; M569-F592 HydrophobicContact SD-CZ 3.98Å; L571-F592 HydrophobicContact CB-CE1 4.19Å; F592-F594 HydrophobicContact CE2-CB 4.46Å; F592-F594 HydrophobicContact CE2-CD2 4.5Å; F592-V604 HydrophobicContact CD2-CG1 3.98Å; F592-V604 HydrophobicContact CE2-CG1 4.07Å; F592-M608 HydrophobicContact CB-CE 3.86Å; F592-M608 HydrophobicContact CD1-CE 3.34Å; F592-M608 HydrophobicContact CD2-CE 3.42Å; F592-M608 VanDerWaalsContact CD2-CE 3.42Å; F592-M608 HydrophobicContact CE1-CE 3.62Å; F592-M608 HydrophobicContact CE2-CE 3.67Å; F592-M608 HydrophobicContact CG-CE 3.25Å; F592-M608 HydrophobicContact CZ-CE 3.76Å; F592-I626 HydrophobicContact CE1-CD1 4.44Å; F592-I626 HydrophobicContact CE2-CD1 3.83Å; F592-I626 HydrophobicContact CE2-CG1 4.39Å; F592-I626 HydrophobicContact CZ-CD1 3.5Å; F592-I626 VanDerWaalsContact CZ-CD1 3.5Å; F592-I626 HydrophobicContact CZ-CG1 3.88Å
593A92.7Very high83.5Confident13 Ų1370.3 Ų70.311%0.10735%0.345CS..EExtended strand (participates in β ladder)trans-86.8148.4166.300000109.9W21 E566 I567W21-A593 HydrophobicContact CZ3-CB 4.35Å; E566-A593 HydrophobicContact CG-CB 3.98Å; E566-A593 VanDerWaalsContact OE1-CB 3.27Å; E566-A593 WeakPolarHBondContact OE1-CB 3.43Å; I567-A593 WeakPolarHBondContact O-CA 3.35Å
594F95.6Very high84.6Confident1 Ų162 Ų620%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-135.3120.5172.5-169.4-78.5000109I567 M569 F592 D599 P601 V604 I626 V630I567-F594 HydrophobicContact CG1-CB 4.25Å; I567-F594 WeakPolarHBondContact CG1-O 3.45Å; I567-F594 PolarHBondContact N-O 2.87Å; I567-F594 PolarHBondContact O-N 3.4Å; M569-F594 HydrophobicContact CG-CB 4.08Å; M569-F594 HydrophobicContact SD-CB 3.6Å; M569-F594 HydrophobicContact SD-CD2 4.25Å; M569-F594 HydrophobicContact SD-CG 3.93Å; F592-F594 HydrophobicContact CE2-CB 4.46Å; F592-F594 HydrophobicContact CE2-CD2 4.5Å; F594-D599 HydrophobicContact CD1-CB 4.31Å; F594-D599 HydrophobicContact CD2-CB 4.19Å; F594-D599 HydrophobicContact CE1-CB 4.03Å; F594-D599 HydrophobicContact CE2-CB 3.91Å; F594-D599 HydrophobicContact CG-CB 4.37Å; F594-D599 HydrophobicContact CZ-CB 3.82Å; F594-D599 VanDerWaalsContact CZ-O 3.26Å; F594-D599 WeakPolarHBondContact CZ-O 3.5Å; F594-P601 HydrophobicContact CE2-CG 4.29Å; F594-P601 HydrophobicContact CZ-CG 4.04Å; F594-V604 HydrophobicContact CD2-CB 4.33Å; F594-V604 HydrophobicContact CD2-CG1 4.27Å; F594-V604 HydrophobicContact CD2-CG2 3.9Å; F594-V604 HydrophobicContact CE2-CB 4.25Å; F594-V604 HydrophobicContact CE2-CG2 3.85Å; F594-I626 HydrophobicContact CD2-CG2 3.97Å; F594-I626 HydrophobicContact CE2-CG2 3.86Å; F594-V630 HydrophobicContact CD1-CG1 4.44Å; F594-V630 HydrophobicContact CD1-CG2 3.68Å; F594-V630 HydrophobicContact CE1-CB 4.37Å; F594-V630 HydrophobicContact CE1-CG1 3.87Å; F594-V630 HydrophobicContact CE1-CG2 3.61Å; F594-V630 HydrophobicContact CE2-CG2 4.44Å; F594-V630 HydrophobicContact CG-CG2 4.17Å; F594-V630 HydrophobicContact CZ-CG2 4.02Å
595D93.8Very high85.6Confident34 Ų3460.2 Ų60.218%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-80.7115.2171.6-175.4-45.3000110V565 E597 N598 D599V565-D595 WeakPolarHBondContact CG1-OD1 3.25Å; D595-E597 PolarHBondContact O-N 3.2Å; D595-E597 VanDerWaalsContact O-N 3.15Å; D595-E597 PolarHBondContact OD1-N 2.92Å; D595-N598 HydrophobicContact CB-CB 4.24Å; D595-N598 VanDerWaalsContact CG-ND2 3.28Å; D595-N598 PolarHBondContact OD1-N 3.49Å; D595-N598 PolarHBondContact OD1-ND2 2.97Å; D595-N598 VanDerWaalsContact OD1-ND2 3.14Å; D595-N598 PolarHBondContact OD2-ND2 3.21Å; D595-D599 HydrophobicContact CB-CB 4.21Å; D595-D599 PolarHBondContact N-OD2 3.45Å; D595-D599 WeakPolarHBondContact O-CB 3.43Å; D595-D599 PolarHBondContact O-N 3.47Å
596I91.3Very high87Confident0 Ų058.1 Ų58.10%030%0.299CS..THydrogen-bonded Turntrans-60.9-25.2-175.1-69.8161.6000113V565 I567 F633 R634V565-I596 WeakPolarHBondContact O-CB 3.44Å; V565-I596 WeakPolarHBondContact O-CG1 3.37Å; V565-I596 PolarHBondContact O-N 3.29Å; I567-I596 HydrophobicContact CB-CD1 4.48Å; I567-I596 HydrophobicContact CD1-CD1 4.15Å; I567-I596 HydrophobicContact CD1-CG1 4Å; I567-I596 HydrophobicContact CG1-CD1 4.15Å; I567-I596 HydrophobicContact CG1-CG1 3.99Å; I567-I596 HydrophobicContact CG2-CD1 3.6Å; I567-I596 HydrophobicContact CG2-CG1 4.37Å; I596-F633 HydrophobicContact CD1-CD1 3.39Å; I596-F633 HydrophobicContact CD1-CE1 3.4Å; I596-F633 HydrophobicContact CG1-CD1 4.41Å; I596-R634 HydrophobicContact CG2-CG 3.52Å; I596-R634 PolarHBondContact O-NE 2.91Å; I596-R634 PolarHBondContact O-NH2 2.63Å
597E90.5Very high88.5Confident111 Ų11155.6 Ų55.652%0.51929%0.287SS..THydrogen-bonded Turntrans-108.6-30.1-172.7-69174.2-16600112.4V565 D595 R637V565-E597 HydrophobicContact CG1-CB 4.02Å; V565-E597 HydrophobicContact CG1-CG 3.99Å; D595-E597 PolarHBondContact O-N 3.2Å; D595-E597 VanDerWaalsContact O-N 3.15Å; D595-E597 PolarHBondContact OD1-N 2.92Å; E597-R637 IonicContact OE1-CZ 3.58Å; E597-R637 VanDerWaalsContact OE1-CZ 3.22Å; E597-R637 IonicContact OE1-NH1 3.33Å; E597-R637 PolarHBondContact OE1-NH1 3.08Å; E597-R637 IonicContact OE1-NH2 3.02Å; E597-R637 PolarHBondContact OE1-NH2 3.45Å
598N92.4Very high90.2Very high126 Ų12648.9 Ų48.967%0.67425%0.251SS*.THydrogen-bonded Turntrans-107.2-28.5-175.8-57.7-71.6000114.9D595D595-N598 HydrophobicContact CB-CB 4.24Å; D595-N598 VanDerWaalsContact CG-ND2 3.28Å; D595-N598 PolarHBondContact OD1-N 3.49Å; D595-N598 PolarHBondContact OD1-ND2 2.97Å; D595-N598 VanDerWaalsContact OD1-ND2 3.14Å; D595-N598 PolarHBondContact OD2-ND2 3.21Å
599D94Very high91.1Very high22 Ų2243.7 Ų43.712%0.11823%0.227CC..  trans-86.6142.9-177.9-72.8-19.7000112.3R25 F594 D595 V604R25-D599 IonicContact CZ-OD1 2.75Å; R25-D599 IonicContact CZ-OD2 3.37Å; R25-D599 IonicContact NH1-OD1 3.41Å; R25-D599 PolarHBondContact NH1-OD1 2.98Å; R25-D599 IonicContact NH1-OD2 2.76Å; R25-D599 VanDerWaalsContact NH2-CG 3.26Å; R25-D599 IonicContact NH2-OD1 3.09Å; R25-D599 PolarHBondContact NH2-OD1 3.31Å; R25-D599 VanDerWaalsContact NH2-OD1 3.09Å; R25-D599 IonicContact NH2-OD2 2.76Å; R25-D599 PolarHBondContact NH2-OD2 2.81Å; F594-D599 HydrophobicContact CD1-CB 4.31Å; F594-D599 HydrophobicContact CD2-CB 4.19Å; F594-D599 HydrophobicContact CE1-CB 4.03Å; F594-D599 HydrophobicContact CE2-CB 3.91Å; F594-D599 HydrophobicContact CG-CB 4.37Å; F594-D599 HydrophobicContact CZ-CB 3.82Å; F594-D599 VanDerWaalsContact CZ-O 3.26Å; F594-D599 WeakPolarHBondContact CZ-O 3.5Å; D595-D599 HydrophobicContact CB-CB 4.21Å; D595-D599 PolarHBondContact N-OD2 3.45Å; D595-D599 WeakPolarHBondContact O-CB 3.43Å; D595-D599 PolarHBondContact O-N 3.47Å; D599-V604 HydrophobicContact CB-CG2 3.94Å
600S93.7Very high91.5Very high42 Ų4250.4 Ų50.429%0.29426%0.255SS..  trans-100.2133.9170.8177.10000110.8D602 E603 V604S600-D602 VanDerWaalsContact C-N 3.27Å; S600-D602 PolarHBondContact O-N 3.36Å; S600-E603 PolarHBondContact O-N 2.82Å; S600-E603 VanDerWaalsContact O-N 3.16Å; S600-V604 WeakPolarHBondContact O-CG2 3.46Å; S600-V604 PolarHBondContact O-N 3.4Å
601P93Very high91.4Very high19 Ų1953.4 Ų53.412%0.12327%0.268CS..Hα-helixtrans-53.8-42.5176-26.836.3000113.1F594 V604 V605 T623 I626 K627F594-P601 HydrophobicContact CE2-CG 4.29Å; F594-P601 HydrophobicContact CZ-CG 4.04Å; P601-V604 PolarHBondContact O-N 3.01Å; P601-V605 WeakPolarHBondContact O-CG2 3.26Å; P601-V605 PolarHBondContact O-N 2.88Å; P601-T623 HydrophobicContact CB-CG2 4.08Å; P601-I626 HydrophobicContact CB-CB 4.48Å; P601-I626 HydrophobicContact CB-CG2 4.07Å; P601-I626 HydrophobicContact CG-CG2 4.47Å; P601-K627 HydrophobicContact CB-CB 4.19Å; P601-K627 HydrophobicContact CG-CB 3.98Å; P601-K627 HydrophobicContact CG-CG 4.39Å
602D93Very high90.8Very high102 Ų10255.9 Ų55.955%0.54528%0.28SS..Hα-helixtrans-63.5-42.8178.6-61.6-101.2000112.1S600 Q606 T623S600-D602 VanDerWaalsContact C-N 3.27Å; S600-D602 PolarHBondContact O-N 3.36Å; D602-Q606 VanDerWaalsContact O-CB 3.28Å; D602-Q606 WeakPolarHBondContact O-CB 3.38Å; D602-Q606 PolarHBondContact O-N 3.41Å; D602-T623 HydrophobicContact CB-CG2 4.32Å; D602-T623 WeakPolarHBondContact OD1-CG2 3.35Å
603E93.2Very high90.1Very high121 Ų12158 Ų5857%0.56529%0.29SS*.Hα-helixtrans-70.8-36.5179-65.4-167.217200112.3S600 Q606 Q607S600-E603 PolarHBondContact O-N 2.82Å; S600-E603 VanDerWaalsContact O-N 3.16Å; E603-Q606 PolarHBondContact O-N 3.32Å; E603-Q607 WeakPolarHBondContact O-CG 3.48Å; E603-Q607 PolarHBondContact O-N 2.97Å; E603-Q607 PolarHBondContact O-NE2 3.03Å
604V93.4Very high89.6Confident8 Ų857.9 Ų57.95%0.04829%0.287CS..Hα-helixtrans-67-43.3176.6169.10000110.8F592 F594 D599 S600 P601 Q607 M608F592-V604 HydrophobicContact CD2-CG1 3.98Å; F592-V604 HydrophobicContact CE2-CG1 4.07Å; F594-V604 HydrophobicContact CD2-CB 4.33Å; F594-V604 HydrophobicContact CD2-CG1 4.27Å; F594-V604 HydrophobicContact CD2-CG2 3.9Å; F594-V604 HydrophobicContact CE2-CB 4.25Å; F594-V604 HydrophobicContact CE2-CG2 3.85Å; D599-V604 HydrophobicContact CB-CG2 3.94Å; S600-V604 WeakPolarHBondContact O-CG2 3.46Å; S600-V604 PolarHBondContact O-N 3.4Å; P601-V604 PolarHBondContact O-N 3.01Å; V604-Q607 PolarHBondContact O-N 3.48Å; V604-M608 HydrophobicContact CG1-CE 3.55Å; V604-M608 HydrophobicContact CG1-SD 4.46Å; V604-M608 VanDerWaalsContact O-CG 3.32Å; V604-M608 WeakPolarHBondContact O-CG 3.26Å; V604-M608 PolarHBondContact O-N 3.41Å; V604-M608 VanDerWaalsContact O-N 3.14Å
605V92.3Very high88.9Confident0 Ų058.5 Ų58.50%029%0.291CS..Hα-helixtrans-68.4-37.7174.6176.80000111.6P601 Q607 M608 I609 T619 I622 I626P601-V605 WeakPolarHBondContact O-CG2 3.26Å; P601-V605 PolarHBondContact O-N 2.88Å; V605-Q607 VanDerWaalsContact C-N 3.29Å; V605-Q607 PolarHBondContact O-N 2.75Å; V605-M608 WeakPolarHBondContact O-CB 3.38Å; V605-M608 PolarHBondContact O-N 2.89Å; V605-I609 HydrophobicContact CG1-CD1 3.93Å; V605-I609 HydrophobicContact CG1-CG1 4.45Å; V605-I609 WeakPolarHBondContact O-CG1 3.46Å; V605-I609 PolarHBondContact O-N 3.07Å; V605-T619 HydrophobicContact CG1-CG2 4.03Å; V605-I622 HydrophobicContact CG2-CG2 3.97Å; V605-I626 HydrophobicContact CG2-CD1 3.66Å
606Q91.3Very high88.3Confident111 Ų11162.5 Ų62.552%0.51931%0.313SS..Hα-helixtrans-61.8-36.9176.1-170.85983.700112.3D602 E603 I609 E610D602-Q606 VanDerWaalsContact O-CB 3.28Å; D602-Q606 WeakPolarHBondContact O-CB 3.38Å; D602-Q606 PolarHBondContact O-N 3.41Å; E603-Q606 PolarHBondContact O-N 3.32Å; Q606-I609 PolarHBondContact O-N 3.23Å; Q606-E610 WeakPolarHBondContact O-CB 3.34Å; Q606-E610 PolarHBondContact O-N 2.9Å
607Q89.2Confident87.9Confident53 Ų5369 Ų6925%0.24834%0.343CS..Hα-helixtrans-65.8-37.7171.4-73.1169.451.600112.5E603 V604 V605 I609 E610 Q611E603-Q607 WeakPolarHBondContact O-CG 3.48Å; E603-Q607 PolarHBondContact O-N 2.97Å; E603-Q607 PolarHBondContact O-NE2 3.03Å; V604-Q607 PolarHBondContact O-N 3.48Å; V605-Q607 VanDerWaalsContact C-N 3.29Å; V605-Q607 PolarHBondContact O-N 2.75Å; Q607-I609 VanDerWaalsContact C-N 3.31Å; Q607-I609 PolarHBondContact O-N 3.02Å; Q607-E610 PolarHBondContact O-N 3.46Å; Q607-Q611 WeakPolarHBondContact O-CB 3.49Å; Q607-Q611 WeakPolarHBondContact O-CG 3.36Å; Q607-Q611 PolarHBondContact O-N 2.79Å
608M88.9Confident87.5Confident8 Ų864.6 Ų64.64%0.03932%0.323CS..Hα-helixtrans-66.8-32.5175.8-65.4168.3179.100112.7L590 F592 V604 V605 Q612 H613 I614 I626L590-M608 HydrophobicContact CD2-CB 4.34Å; L590-M608 HydrophobicContact CD2-CE 4.23Å; L590-M608 HydrophobicContact CD2-CG 3.88Å; L590-M608 HydrophobicContact CD2-SD 3.87Å; F592-M608 HydrophobicContact CB-CE 3.86Å; F592-M608 HydrophobicContact CD1-CE 3.34Å; F592-M608 HydrophobicContact CD2-CE 3.42Å; F592-M608 VanDerWaalsContact CD2-CE 3.42Å; F592-M608 HydrophobicContact CE1-CE 3.62Å; F592-M608 HydrophobicContact CE2-CE 3.67Å; F592-M608 HydrophobicContact CG-CE 3.25Å; F592-M608 HydrophobicContact CZ-CE 3.76Å; V604-M608 HydrophobicContact CG1-CE 3.55Å; V604-M608 HydrophobicContact CG1-SD 4.46Å; V604-M608 VanDerWaalsContact O-CG 3.32Å; V604-M608 WeakPolarHBondContact O-CG 3.26Å; V604-M608 PolarHBondContact O-N 3.41Å; V604-M608 VanDerWaalsContact O-N 3.14Å; V605-M608 WeakPolarHBondContact O-CB 3.38Å; V605-M608 PolarHBondContact O-N 2.89Å; M608-Q612 PolarHBondContact O-N 3.42Å; M608-H613 PolarHBondContact O-N 3.25Å; M608-I614 HydrophobicContact CB-CD1 3.53Å; M608-I614 HydrophobicContact CB-CG1 4.01Å; M608-I614 HydrophobicContact CG-CD1 4.11Å; M608-I614 HydrophobicContact SD-CD1 3.53Å; M608-I614 VanDerWaalsContact SD-CD1 3.53Å; M608-I626 HydrophobicContact CE-CD1 4.35Å; M608-I626 HydrophobicContact SD-CD1 4.47Å
609I87.5Confident87.3Confident21 Ų2160.1 Ų60.111%0.10830%0.3CS..Hα-helixtrans-71.6-44.6173.4-68161.6000110.5V605 Q606 Q607 Q611 Q612 I614 D616 T619V605-I609 HydrophobicContact CG1-CD1 3.93Å; V605-I609 HydrophobicContact CG1-CG1 4.45Å; V605-I609 WeakPolarHBondContact O-CG1 3.46Å; V605-I609 PolarHBondContact O-N 3.07Å; Q606-I609 PolarHBondContact O-N 3.23Å; Q607-I609 VanDerWaalsContact C-N 3.31Å; Q607-I609 PolarHBondContact O-N 3.02Å; I609-Q611 VanDerWaalsContact C-N 3.25Å; I609-Q611 PolarHBondContact O-N 3.46Å; I609-Q612 VanDerWaalsContact O-CA 3.31Å; I609-Q612 WeakPolarHBondContact O-CA 3.36Å; I609-Q612 PolarHBondContact O-N 3.24Å; I609-I614 HydrophobicContact CG1-CB 4.32Å; I609-I614 HydrophobicContact CG1-CG2 4.4Å; I609-D616 WeakPolarHBondContact CG2-OD1 3.45Å; I609-T619 HydrophobicContact CD1-CG2 3.65Å; I609-T619 WeakPolarHBondContact CD1-OG1 3.33Å
610E87.5Confident86.9Confident157 Ų15768.6 Ų68.673%0.73433%0.331SS*.Hα-helixtrans-60.9-35.4176-171.9171.3-152.200111.9Q606 Q607 Q612Q606-E610 WeakPolarHBondContact O-CB 3.34Å; Q606-E610 PolarHBondContact O-N 2.9Å; Q607-E610 PolarHBondContact O-N 3.46Å; E610-Q612 PolarHBondContact O-N 2.87Å
611Q84.4Confident86.4Confident86 Ų8669.3 Ų69.340%0.40233%0.33SS..THydrogen-bonded Turntrans-78.14.3171.8-66.5164.926.500113.7Q607 I609 H613Q607-Q611 WeakPolarHBondContact O-CB 3.49Å; Q607-Q611 WeakPolarHBondContact O-CG 3.36Å; Q607-Q611 PolarHBondContact O-N 2.79Å; I609-Q611 VanDerWaalsContact C-N 3.25Å; I609-Q611 PolarHBondContact O-N 3.46Å; Q611-H613 PolarHBondContact O-N 2.82Å; Q611-H613 VanDerWaalsContact O-N 3.15Å; Q611-H613 PolarHBondContact O-ND1 3.14Å
612Q76.9Confident86.2Confident127 Ų12768.4 Ų68.459%0.59332%0.324SS*.THydrogen-bonded Turntrans52.625.6-175.2-59.6-165.82.800115.1R583 M608 I609 E610 I614R583-Q612 WeakPolarHBondContact CB-O 3.2Å; R583-Q612 WeakPolarHBondContact CG-O 3.49Å; M608-Q612 PolarHBondContact O-N 3.42Å; I609-Q612 VanDerWaalsContact O-CA 3.31Å; I609-Q612 WeakPolarHBondContact O-CA 3.36Å; I609-Q612 PolarHBondContact O-N 3.24Å; E610-Q612 PolarHBondContact O-N 2.87Å; Q612-I614 VanDerWaalsContact C-N 3.35Å
613H76.6Confident86.1Confident57 Ų5764.2 Ų64.226%0.26430%0.302SS..SBendtrans-77.9-20.7177.8-67-30.6000113.2Y582 L590 M608 Q611Y582-H613 WeakPolarHBondContact CD1-O 3.24Å; L590-H613 HydrophobicContact CD1-CB 4.22Å; L590-H613 HydrophobicContact CD2-CB 3.83Å; M608-H613 PolarHBondContact O-N 3.25Å; Q611-H613 PolarHBondContact O-N 2.82Å; Q611-H613 VanDerWaalsContact O-N 3.15Å; Q611-H613 PolarHBondContact O-ND1 3.14Å
614I82.7Confident85.8Confident9 Ų961.8 Ų61.85%0.04629%0.29CS..SBendtrans-134.5141.9-171.7-63.1-179.2000110.5L571 Y582 L590 M608 I609 Q612 I622L571-I614 HydrophobicContact CD2-CD1 3.6Å; L571-I614 HydrophobicContact CD2-CG1 4Å; Y582-I614 HydrophobicContact CD1-CG1 4.41Å; Y582-I614 HydrophobicContact CE1-CB 4.31Å; Y582-I614 HydrophobicContact CE1-CG1 4.15Å; Y582-I614 HydrophobicContact CE1-CG2 4.14Å; L590-I614 HydrophobicContact CD2-CD1 4.4Å; L590-I614 HydrophobicContact CD2-CG1 4.48Å; M608-I614 HydrophobicContact CB-CD1 3.53Å; M608-I614 HydrophobicContact CB-CG1 4.01Å; M608-I614 HydrophobicContact CG-CD1 4.11Å; M608-I614 HydrophobicContact SD-CD1 3.53Å; M608-I614 VanDerWaalsContact SD-CD1 3.53Å; I609-I614 HydrophobicContact CG1-CB 4.32Å; I609-I614 HydrophobicContact CG1-CG2 4.4Å; Q612-I614 VanDerWaalsContact C-N 3.35Å; I614-I622 HydrophobicContact CD1-CD1 4Å; I614-I622 HydrophobicContact CD1-CG2 4.09Å; I614-I622 HydrophobicContact CG1-CD1 4.39Å; I614-I622 HydrophobicContact CG2-CD1 3.67Å
615P81.2Confident85.5Confident15 Ų1562.5 Ų62.510%0.09729%0.293CS..  trans-76.8141.6171.4-10.426.9000113Q581 Y582 E617 D618Q581-P615 HydrophobicContact CB-CG 3.89Å; Q581-P615 HydrophobicContact CG-CB 4.03Å; Q581-P615 HydrophobicContact CG-CG 3.65Å; Y582-P615 HydrophobicContact CD2-CG 4.27Å; Y582-P615 VanDerWaalsContact CE1-CD 3.41Å; Y582-P615 HydrophobicContact CE1-CG 4.44Å; Y582-P615 HydrophobicContact CE2-CG 4.04Å; Y582-P615 VanDerWaalsContact CZ-CD 3.48Å; P615-E617 PolarHBondContact O-N 2.95Å; P615-D618 PolarHBondContact O-N 2.95Å; P615-D618 VanDerWaalsContact O-N 3.15Å
616D82.1Confident85.4Confident118 Ų11862.5 Ų62.563%0.63129%0.293SS*.G310 helixtrans-53.5-32.1-179.8-57.8-35.9000113.9I609 D618 T619I609-D616 WeakPolarHBondContact CG2-OD1 3.45Å; D616-D618 VanDerWaalsContact C-N 3.34Å; D616-D618 PolarHBondContact O-N 2.73Å; D616-T619 VanDerWaalsContact C-OG1 3.29Å; D616-T619 WeakPolarHBondContact CA-OG1 3.47Å; D616-T619 VanDerWaalsContact O-CB 3.28Å; D616-T619 WeakPolarHBondContact O-CB 3.34Å; D616-T619 PolarHBondContact O-N 3.46Å; D616-T619 PolarHBondContact O-OG1 3.24Å
617E81.9Confident85.4Confident137 Ų13762.2 Ų62.264%0.6429%0.29SS*.G310 helixtrans-61.4-39-178.2-60.6178.5143.700112.7Q581 P615Q581-E617 PolarHBondContact NE2-OE2 3.46Å; P615-E617 PolarHBondContact O-N 2.95Å
618D82.9Confident85.2Confident18 Ų1863 Ų6310%0.09630%0.296CS..G310 helixtrans-92.80.1-176.5-85.7-44.9000113.7I549 K578 Y582 P615 D616 R620 M621 I622I549-D618 HydrophobicContact CD1-CB 4.03Å; K578-D618 WeakPolarHBondContact CE-OD2 3.43Å; K578-D618 IonicContact NZ-OD1 2.97Å; K578-D618 PolarHBondContact NZ-OD1 3.28Å; K578-D618 IonicContact NZ-OD2 2.89Å; K578-D618 PolarHBondContact NZ-OD2 3.3Å; Y582-D618 WeakPolarHBondContact OH-CB 3.37Å; Y582-D618 PolarHBondContact OH-OD2 3.26Å; P615-D618 PolarHBondContact O-N 2.95Å; P615-D618 VanDerWaalsContact O-N 3.15Å; D616-D618 VanDerWaalsContact C-N 3.34Å; D616-D618 PolarHBondContact O-N 2.73Å; D618-R620 PolarHBondContact O-N 3.3Å; D618-M621 WeakPolarHBondContact O-CB 3.36Å; D618-M621 PolarHBondContact O-N 3.39Å; D618-M621 VanDerWaalsContact O-N 3.09Å; D618-I622 HydrophobicContact CB-CD1 4.19Å; D618-I622 PolarHBondContact O-N 2.9Å
619T86.9Confident85.2Confident32 Ų3265.7 Ų65.720%0.19631%0.308CS..Hα-helixtrans-43.2-59.6178.1-57.60000112.4V605 I609 D616 M621 I622 T623V605-T619 HydrophobicContact CG1-CG2 4.03Å; I609-T619 HydrophobicContact CD1-CG2 3.65Å; I609-T619 WeakPolarHBondContact CD1-OG1 3.33Å; D616-T619 VanDerWaalsContact C-OG1 3.29Å; D616-T619 WeakPolarHBondContact CA-OG1 3.47Å; D616-T619 VanDerWaalsContact O-CB 3.28Å; D616-T619 WeakPolarHBondContact O-CB 3.34Å; D616-T619 PolarHBondContact O-N 3.46Å; D616-T619 PolarHBondContact O-OG1 3.24Å; T619-M621 VanDerWaalsContact C-N 3.27Å; T619-M621 PolarHBondContact O-N 2.75Å; T619-I622 PolarHBondContact O-N 2.83Å; T619-I622 VanDerWaalsContact O-N 3.16Å; T619-T623 WeakPolarHBondContact O-CB 3.36Å; T619-T623 PolarHBondContact O-N 2.87Å; T619-T623 PolarHBondContact O-OG1 3.33Å
620R85.7Confident85.5Confident199 Ų19964.9 Ų64.975%0.75130%0.304SS*.Hα-helixtrans-60.6-37.4-175.4-66.9-176.5-65.2-85.7-5.4112.2D618 K624D618-R620 PolarHBondContact O-N 3.3Å; R620-K624 WeakPolarHBondContact O-CB 3.46Å; R620-K624 PolarHBondContact O-N 3.15Å; R620-K624 VanDerWaalsContact O-N 3.12Å
621M84.1Confident85.5Confident58 Ų5859.9 Ų59.929%0.28628%0.282SS..Hα-helixtrans-67.8-45.1178.5-177.259.568.600110.7I547 D618 T619 K624 L625I547-M621 HydrophobicContact CD1-SD 4.4Å; I547-M621 HydrophobicContact CG1-SD 4.38Å; I547-M621 HydrophobicContact CG2-CG 3.65Å; I547-M621 HydrophobicContact CG2-SD 3.71Å; D618-M621 WeakPolarHBondContact O-CB 3.36Å; D618-M621 PolarHBondContact O-N 3.39Å; D618-M621 VanDerWaalsContact O-N 3.09Å; T619-M621 VanDerWaalsContact C-N 3.27Å; T619-M621 PolarHBondContact O-N 2.75Å; M621-K624 PolarHBondContact O-N 3.47Å; M621-L625 HydrophobicContact CG-CD1 4.34Å; M621-L625 WeakPolarHBondContact O-CG 3.49Å; M621-L625 PolarHBondContact O-N 3.06Å
622I88Confident85.5Confident0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-73.4-39.6-177.9-65.1170.1000111.6I549 L571 Y582 V605 I614 D618 T619 K624 L625 I626I549-I622 HydrophobicContact CD1-CD1 4.37Å; I549-I622 HydrophobicContact CD1-CG1 4.4Å; I549-I622 HydrophobicContact CG2-CD1 4.12Å; I549-I622 HydrophobicContact CG2-CG1 3.97Å; L571-I622 HydrophobicContact CD1-CD1 4.18Å; L571-I622 HydrophobicContact CD1-CG1 4.17Å; L571-I622 HydrophobicContact CD1-CG2 3.96Å; L571-I622 HydrophobicContact CD2-CD1 4.14Å; L571-I622 HydrophobicContact CD2-CG2 4.32Å; Y582-I622 HydrophobicContact CE1-CD1 4.03Å; Y582-I622 WeakPolarHBondContact OH-CD1 3.4Å; V605-I622 HydrophobicContact CG2-CG2 3.97Å; I614-I622 HydrophobicContact CD1-CD1 4Å; I614-I622 HydrophobicContact CD1-CG2 4.09Å; I614-I622 HydrophobicContact CG1-CD1 4.39Å; I614-I622 HydrophobicContact CG2-CD1 3.67Å; D618-I622 HydrophobicContact CB-CD1 4.19Å; D618-I622 PolarHBondContact O-N 2.9Å; T619-I622 PolarHBondContact O-N 2.83Å; T619-I622 VanDerWaalsContact O-N 3.16Å; I622-K624 VanDerWaalsContact C-N 3.25Å; I622-K624 PolarHBondContact O-N 2.84Å; I622-L625 PolarHBondContact O-N 2.93Å; I622-I626 HydrophobicContact CG2-CD1 4.07Å; I622-I626 HydrophobicContact CG2-CG1 4.39Å; I622-I626 WeakPolarHBondContact O-CG1 3.41Å; I622-I626 PolarHBondContact O-N 3.2Å
623T91.1Very high86.1Confident14 Ų1451 Ų519%0.08625%0.245CC..Hα-helixtrans-54.9-45.1170.9-59.50000110.5P601 D602 T619 I626 K627P601-T623 HydrophobicContact CB-CG2 4.08Å; D602-T623 HydrophobicContact CB-CG2 4.32Å; D602-T623 WeakPolarHBondContact OD1-CG2 3.35Å; T619-T623 WeakPolarHBondContact O-CB 3.36Å; T619-T623 PolarHBondContact O-N 2.87Å; T619-T623 PolarHBondContact O-OG1 3.33Å; T623-I626 PolarHBondContact O-N 2.7Å; T623-K627 WeakPolarHBondContact O-CB 3.39Å; T623-K627 PolarHBondContact O-N 3.06Å
624K86.2Confident86.8Confident69 Ų6952.8 Ų52.830%0.325%0.249SC..Hα-helixtrans-65.4-47.4175.6-158-163.1177.4-170.40112.3D539 R620 M621 I622 I626 K627 D628D539-K624 IonicContact OD2-NZ 2.66Å; D539-K624 PolarHBondContact OD2-NZ 3.46Å; R620-K624 WeakPolarHBondContact O-CB 3.46Å; R620-K624 PolarHBondContact O-N 3.15Å; R620-K624 VanDerWaalsContact O-N 3.12Å; M621-K624 PolarHBondContact O-N 3.47Å; I622-K624 VanDerWaalsContact C-N 3.25Å; I622-K624 PolarHBondContact O-N 2.84Å; K624-I626 PolarHBondContact O-N 2.84Å; K624-K627 PolarHBondContact O-N 3.3Å; K624-K627 VanDerWaalsContact O-N 3.13Å; K624-D628 WeakPolarHBondContact CE-OD1 3.5Å; K624-D628 VanDerWaalsContact CE-OD2 3.3Å; K624-D628 WeakPolarHBondContact CE-OD2 3.36Å; K624-D628 IonicContact NZ-OD2 3.45Å; K624-D628 WeakPolarHBondContact O-CB 3.14Å; K624-D628 PolarHBondContact O-N 2.9Å
625L87.8Confident87Confident24 Ų2456.9 Ų56.913%0.12626%0.264CS..Hα-helixtrans-58.6-35178.2-73.7173.7000112.9I547 I549 V551 M621 I622 K629I547-L625 HydrophobicContact CD1-CD2 4.44Å; I547-L625 HydrophobicContact CG2-CD1 4.07Å; I549-L625 HydrophobicContact CB-CD1 4.28Å; I549-L625 HydrophobicContact CG2-CD1 4.1Å; V551-L625 HydrophobicContact CB-CB 4.24Å; V551-L625 HydrophobicContact CG2-CB 3.69Å; V551-L625 HydrophobicContact CG2-CD1 4.37Å; M621-L625 HydrophobicContact CG-CD1 4.34Å; M621-L625 WeakPolarHBondContact O-CG 3.49Å; M621-L625 PolarHBondContact O-N 3.06Å; I622-L625 PolarHBondContact O-N 2.93Å; L625-K629 WeakPolarHBondContact O-CB 3.31Å; L625-K629 WeakPolarHBondContact O-CG 3.43Å; L625-K629 PolarHBondContact O-N 3.03Å
626I91.2Very high87.3Confident0 Ų059.1 Ų59.10%028%0.275CS..Hα-helixtrans-70-51.5173.4-68.9176.9000109.7V551 M569 F592 F594 P601 V605 M608 I622 T623 K624 D628 K629 V630V551-I626 HydrophobicContact CG1-CG1 4.29Å; V551-I626 HydrophobicContact CG2-CG1 4.14Å; M569-I626 HydrophobicContact CE-CG2 4.32Å; M569-I626 HydrophobicContact SD-CG2 4.13Å; F592-I626 HydrophobicContact CE1-CD1 4.44Å; F592-I626 HydrophobicContact CE2-CD1 3.83Å; F592-I626 HydrophobicContact CE2-CG1 4.39Å; F592-I626 HydrophobicContact CZ-CD1 3.5Å; F592-I626 VanDerWaalsContact CZ-CD1 3.5Å; F592-I626 HydrophobicContact CZ-CG1 3.88Å; F594-I626 HydrophobicContact CD2-CG2 3.97Å; F594-I626 HydrophobicContact CE2-CG2 3.86Å; P601-I626 HydrophobicContact CB-CB 4.48Å; P601-I626 HydrophobicContact CB-CG2 4.07Å; P601-I626 HydrophobicContact CG-CG2 4.47Å; V605-I626 HydrophobicContact CG2-CD1 3.66Å; M608-I626 HydrophobicContact CE-CD1 4.35Å; M608-I626 HydrophobicContact SD-CD1 4.47Å; I622-I626 HydrophobicContact CG2-CD1 4.07Å; I622-I626 HydrophobicContact CG2-CG1 4.39Å; I622-I626 WeakPolarHBondContact O-CG1 3.41Å; I622-I626 PolarHBondContact O-N 3.2Å; T623-I626 PolarHBondContact O-N 2.7Å; K624-I626 PolarHBondContact O-N 2.84Å; I626-D628 PolarHBondContact O-N 3.38Å; I626-K629 PolarHBondContact O-N 2.96Å; I626-K629 VanDerWaalsContact O-N 3.1Å; I626-V630 HydrophobicContact CG2-CG2 4.24Å; I626-V630 WeakPolarHBondContact O-CG2 3.11Å; I626-V630 PolarHBondContact O-N 3.05Å
627K91Very high87.6Confident105 Ų10555 Ų5546%0.45725%0.251SS..Hα-helixtrans-55.3-52178.7-175.8-179.7176.2-176.20112.4P601 T623 K624 K629 V630 D631P601-K627 HydrophobicContact CB-CB 4.19Å; P601-K627 HydrophobicContact CG-CB 3.98Å; P601-K627 HydrophobicContact CG-CG 4.39Å; T623-K627 WeakPolarHBondContact O-CB 3.39Å; T623-K627 PolarHBondContact O-N 3.06Å; K624-K627 PolarHBondContact O-N 3.3Å; K624-K627 VanDerWaalsContact O-N 3.13Å; K627-K629 PolarHBondContact O-N 3.18Å; K627-K629 VanDerWaalsContact O-N 3.15Å; K627-V630 PolarHBondContact O-N 3.04Å; K627-V630 VanDerWaalsContact O-N 3.1Å; K627-D631 WeakPolarHBondContact CE-OD2 3.17Å; K627-D631 WeakPolarHBondContact CG-OD2 3.44Å; K627-D631 WeakPolarHBondContact O-CB 3.34Å; K627-D631 PolarHBondContact O-N 3.06Å
628D85.2Confident88Confident70 Ų7052 Ų5237%0.37424%0.239SC..Hα-helixtrans-57.6-31.2179.5-72-2.2000111.8K624 I626 A632K624-D628 WeakPolarHBondContact CE-OD1 3.5Å; K624-D628 VanDerWaalsContact CE-OD2 3.3Å; K624-D628 WeakPolarHBondContact CE-OD2 3.36Å; K624-D628 IonicContact NZ-OD2 3.45Å; K624-D628 WeakPolarHBondContact O-CB 3.14Å; K624-D628 PolarHBondContact O-N 2.9Å; I626-D628 PolarHBondContact O-N 3.38Å; D628-A632 WeakPolarHBondContact O-CB 3.08Å; D628-A632 PolarHBondContact O-N 3.45Å
629K88.9Confident88.2Confident64 Ų6456.9 Ų56.928%0.27826%0.261SS..Hα-helixtrans-80.7-37.3177-67.4-76.7167.4170.20112.9V551 M569 L625 I626 K627 F633V551-K629 HydrophobicContact CB-CG 4.22Å; V551-K629 HydrophobicContact CG1-CB 4.46Å; V551-K629 HydrophobicContact CG1-CG 4.09Å; V551-K629 WeakPolarHBondContact O-CD 3.12Å; V551-K629 WeakPolarHBondContact O-CE 3.33Å; V551-K629 PolarHBondContact O-NZ 3.41Å; M569-K629 HydrophobicContact CE-CB 3.64Å; L625-K629 WeakPolarHBondContact O-CB 3.31Å; L625-K629 WeakPolarHBondContact O-CG 3.43Å; L625-K629 PolarHBondContact O-N 3.03Å; I626-K629 PolarHBondContact O-N 2.96Å; I626-K629 VanDerWaalsContact O-N 3.1Å; K627-K629 PolarHBondContact O-N 3.18Å; K627-K629 VanDerWaalsContact O-N 3.15Å; K629-F633 WeakPolarHBondContact O-CB 3.15Å; K629-F633 PolarHBondContact O-N 3.34Å
630V92.2Very high88.3Confident4 Ų459.1 Ų59.12%0.02427%0.266CS..Hα-helixtrans-69.3-47.2175.1172.70000110.3M569 F594 I626 K627 A632 F633 R634M569-V630 HydrophobicContact CE-CG2 4.01Å; M569-V630 HydrophobicContact SD-CG2 4.1Å; F594-V630 HydrophobicContact CD1-CG1 4.44Å; F594-V630 HydrophobicContact CD1-CG2 3.68Å; F594-V630 HydrophobicContact CE1-CB 4.37Å; F594-V630 HydrophobicContact CE1-CG1 3.87Å; F594-V630 HydrophobicContact CE1-CG2 3.61Å; F594-V630 HydrophobicContact CE2-CG2 4.44Å; F594-V630 HydrophobicContact CG-CG2 4.17Å; F594-V630 HydrophobicContact CZ-CG2 4.02Å; I626-V630 HydrophobicContact CG2-CG2 4.24Å; I626-V630 WeakPolarHBondContact O-CG2 3.11Å; I626-V630 PolarHBondContact O-N 3.05Å; K627-V630 PolarHBondContact O-N 3.04Å; K627-V630 VanDerWaalsContact O-N 3.1Å; V630-A632 VanDerWaalsContact C-N 3.27Å; V630-A632 PolarHBondContact O-N 3.12Å; V630-F633 CarbonylContact O-C 3.51Å; V630-F633 WeakPolarHBondContact O-CA 3.21Å; V630-F633 PolarHBondContact O-N 3.29Å; V630-R634 HydrophobicContact CG1-CG 4.44Å; V630-R634 PolarHBondContact O-N 2.93Å
631D89.2Confident88.5Confident52 Ų5253.2 Ų53.228%0.27825%0.249SC..Hα-helixtrans-65.7-29.5176.9-72.9-22.4000112K627 R634 R635K627-D631 WeakPolarHBondContact CE-OD2 3.17Å; K627-D631 WeakPolarHBondContact CG-OD2 3.44Å; K627-D631 WeakPolarHBondContact O-CB 3.34Å; K627-D631 PolarHBondContact O-N 3.06Å; D631-R634 IonicContact OD1-NH1 3.25Å; D631-R635 WeakPolarHBondContact O-CG 3.32Å; D631-R635 PolarHBondContact O-N 2.82Å; D631-R635 PolarHBondContact O-NE 2.87Å
632A83.6Confident88.8Confident25 Ų2556.1 Ų56.121%0.20727%0.265CS..Hα-helixtrans-82.9-6.4169.800000114.3R556 D628 V630R556-A632 PolarHBondContact NH2-O 2.69Å; D628-A632 WeakPolarHBondContact O-CB 3.08Å; D628-A632 PolarHBondContact O-N 3.45Å; V630-A632 VanDerWaalsContact C-N 3.27Å; V630-A632 PolarHBondContact O-N 3.12Å
633F90.1Very high88.8Confident0 Ų060.5 Ų60.50%029%0.286CS..Hα-helixtrans-97.2-42170.4-173-84.9000110.9I553 R556 D559 L560 I567 I596 K629 V630 R635 D636 R637I553-F633 HydrophobicContact CD1-CB 3.81Å; I553-F633 HydrophobicContact CD1-CD2 3.67Å; I553-F633 HydrophobicContact CD1-CG 4Å; R556-F633 HydrophobicContact CG-CD2 4.1Å; R556-F633 HydrophobicContact CG-CE2 4.05Å; D559-F633 HydrophobicContact CB-CE2 4.09Å; D559-F633 HydrophobicContact CB-CZ 3.72Å; L560-F633 HydrophobicContact CB-CE2 4.15Å; L560-F633 HydrophobicContact CB-CZ 4.2Å; L560-F633 HydrophobicContact CD1-CD1 4.47Å; L560-F633 HydrophobicContact CD1-CD2 4.02Å; L560-F633 HydrophobicContact CD1-CE1 4.12Å; L560-F633 HydrophobicContact CD1-CE2 3.64Å; L560-F633 HydrophobicContact CD1-CG 4.43Å; L560-F633 HydrophobicContact CD1-CZ 3.7Å; I567-F633 HydrophobicContact CD1-CG 4.41Å; I567-F633 HydrophobicContact CG2-CD1 4.37Å; I567-F633 HydrophobicContact CG2-CE1 3.84Å; I567-F633 HydrophobicContact CG2-CE2 4.38Å; I567-F633 HydrophobicContact CG2-CZ 3.84Å; I596-F633 HydrophobicContact CD1-CD1 3.39Å; I596-F633 HydrophobicContact CD1-CE1 3.4Å; I596-F633 HydrophobicContact CG1-CD1 4.41Å; K629-F633 WeakPolarHBondContact O-CB 3.15Å; K629-F633 PolarHBondContact O-N 3.34Å; V630-F633 CarbonylContact O-C 3.51Å; V630-F633 WeakPolarHBondContact O-CA 3.21Å; V630-F633 PolarHBondContact O-N 3.29Å; F633-R635 PolarHBondContact O-N 2.64Å; F633-D636 PolarHBondContact O-N 2.86Å; F633-R637 HydrophobicContact CE1-CB 4.46Å; F633-R637 WeakPolarHBondContact O-CB 3.42Å; F633-R637 PolarHBondContact O-N 2.66Å
634R90.5Very high88.8Confident95 Ų9562.3 Ų62.336%0.35829%0.294SS..Hα-helixtrans-50.2-53.9170.8-75.6176.8171.8-178.5-4.2111I596 V630 D631 D636 R637 D638I596-R634 HydrophobicContact CG2-CG 3.52Å; I596-R634 PolarHBondContact O-NE 2.91Å; I596-R634 PolarHBondContact O-NH2 2.63Å; V630-R634 HydrophobicContact CG1-CG 4.44Å; V630-R634 PolarHBondContact O-N 2.93Å; D631-R634 IonicContact OD1-NH1 3.25Å; R634-D636 VanDerWaalsContact C-N 3.34Å; R634-D636 PolarHBondContact O-N 2.99Å; R634-R637 WeakPolarHBondContact O-CA 3.16Å; R634-R637 WeakPolarHBondContact O-CB 3.4Å; R634-R637 PolarHBondContact O-N 3.19Å; R634-D638 WeakPolarHBondContact O-CB 3.39Å; R634-D638 PolarHBondContact O-N 2.83Å
635R87.9Confident89.1Confident95 Ų9564.6 Ų64.636%0.35830%0.304SS..Hα-helixtrans-59.7-39.1179.7-71.1179.8-65.8134.8-17.4114Q510 D631 F633 H639Q510-R635 PolarHBondContact O-NH1 2.72Å; D631-R635 WeakPolarHBondContact O-CG 3.32Å; D631-R635 PolarHBondContact O-N 2.82Å; D631-R635 PolarHBondContact O-NE 2.87Å; F633-R635 PolarHBondContact O-N 2.64Å; R635-H639 WeakPolarHBondContact O-CB 3.44Å; R635-H639 PolarHBondContact O-N 2.71Å
636D85.9Confident89.2Confident62 Ų6271.8 Ų71.833%0.33233%0.33SS..Hα-helixtrans-71-35.9176.1-76.525.8000111.1R556 L560 F633 R634 H639 R640R556-D636 IonicContact CZ-OD2 3.7Å; R556-D636 IonicContact NE-OD2 3.93Å; R556-D636 VanDerWaalsContact NH2-CG 3.27Å; R556-D636 IonicContact NH2-OD1 3.97Å; R556-D636 IonicContact NH2-OD2 2.76Å; R556-D636 PolarHBondContact NH2-OD2 3.03Å; L560-D636 HydrophobicContact CD1-CB 3.71Å; L560-D636 HydrophobicContact CD2-CB 4.03Å; L560-D636 HydrophobicContact CG-CB 4.5Å; F633-D636 PolarHBondContact O-N 2.86Å; R634-D636 VanDerWaalsContact C-N 3.34Å; R634-D636 PolarHBondContact O-N 2.99Å; D636-H639 PolarHBondContact O-N 2.86Å; D636-R640 WeakPolarHBondContact O-CB 3.4Å; D636-R640 PolarHBondContact O-N 3.41Å
637R89.7Confident89.2Confident33 Ų3374.5 Ų74.513%0.12535%0.352CS..Hα-helixtrans-65.3-44.3175.3-170.1-173.576.4159.72.4110.7L560 L563 E597 F633 R634 R640 L641L560-R637 HydrophobicContact CD1-CB 4.2Å; L563-R637 HydrophobicContact CD2-CG 3.74Å; E597-R637 IonicContact OE1-CZ 3.58Å; E597-R637 VanDerWaalsContact OE1-CZ 3.22Å; E597-R637 IonicContact OE1-NH1 3.33Å; E597-R637 PolarHBondContact OE1-NH1 3.08Å; E597-R637 IonicContact OE1-NH2 3.02Å; E597-R637 PolarHBondContact OE1-NH2 3.45Å; F633-R637 HydrophobicContact CE1-CB 4.46Å; F633-R637 WeakPolarHBondContact O-CB 3.42Å; F633-R637 PolarHBondContact O-N 2.66Å; R634-R637 WeakPolarHBondContact O-CA 3.16Å; R634-R637 WeakPolarHBondContact O-CB 3.4Å; R634-R637 PolarHBondContact O-N 3.19Å; R637-R640 PolarHBondContact O-N 2.68Å; R637-L641 HydrophobicContact CG-CD1 4.33Å; R637-L641 WeakPolarHBondContact O-CB 3.36Å; R637-L641 WeakPolarHBondContact O-CG 3.4Å; R637-L641 PolarHBondContact O-N 2.84Å
638D89.9Confident89.3Confident72 Ų7276 Ų7639%0.38536%0.358SS..Hα-helixtrans-67.7-38.1179-57.9-23.2000111R634 L641 L642R634-D638 WeakPolarHBondContact O-CB 3.39Å; R634-D638 PolarHBondContact O-N 2.83Å; D638-L641 PolarHBondContact O-N 2.89Å; D638-L642 WeakPolarHBondContact O-CG 3.49Å; D638-L642 PolarHBondContact O-N 2.77Å
639H88.2Confident89.6Confident121 Ų12177.1 Ų77.156%0.5636%0.361SS*.Hα-helixtrans-63.2-43.3170.3-175.9-82.6000112R635 D636 L642 E643R635-H639 WeakPolarHBondContact O-CB 3.44Å; R635-H639 PolarHBondContact O-N 2.71Å; D636-H639 PolarHBondContact O-N 2.86Å; H639-L642 PolarHBondContact O-N 3.25Å; H639-E643 WeakPolarHBondContact O-CB 3.35Å; H639-E643 PolarHBondContact O-N 2.98Å
640R87.8Confident89.7Confident79 Ų7978.3 Ų78.330%0.29837%0.368SS..Hα-helixtrans-66.9-36177.6-171.455.7163.8167.20.5112.2N561 L563 D636 R637 E643 I644N561-R640 PolarHBondContact OD1-NE 3.1Å; N561-R640 PolarHBondContact OD1-NH2 3.47Å; L563-R640 HydrophobicContact CD2-CG 4.45Å; D636-R640 WeakPolarHBondContact O-CB 3.4Å; D636-R640 PolarHBondContact O-N 3.41Å; R637-R640 PolarHBondContact O-N 2.68Å; R640-E643 WeakPolarHBondContact CD-OE2 3.35Å; R640-E643 IonicContact CZ-OE2 2.67Å; R640-E643 IonicContact NE-OE2 3.25Å; R640-E643 IonicContact NH1-OE2 2.68Å; R640-E643 PolarHBondContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact O-N 3.24Å; R640-I644 HydrophobicContact CG-CD1 4.01Å; R640-I644 WeakPolarHBondContact O-CB 3.35Å; R640-I644 WeakPolarHBondContact O-CD1 3.43Å; R640-I644 VanDerWaalsContact O-CG1 3.24Å; R640-I644 WeakPolarHBondContact O-CG1 3.47Å; R640-I644 PolarHBondContact O-N 2.92Å
641L89.8Confident89.7Confident75 Ų7584 Ų8439%0.39339%0.394SS..Hα-helixtrans-61.3-44.5170.5-82.5161.5000112L563 R637 D638 K645L563-L641 HydrophobicContact CD1-CD2 3.73Å; L563-L641 HydrophobicContact CD1-CG 4.25Å; L563-L641 HydrophobicContact CD2-CD2 4.4Å; L563-L641 HydrophobicContact CD2-CG 4.01Å; R637-L641 HydrophobicContact CG-CD1 4.33Å; R637-L641 WeakPolarHBondContact O-CB 3.36Å; R637-L641 WeakPolarHBondContact O-CG 3.4Å; R637-L641 PolarHBondContact O-N 2.84Å; D638-L641 PolarHBondContact O-N 2.89Å; L641-K645 VanDerWaalsContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CB 3.43Å; L641-K645 PolarHBondContact O-N 2.91Å
642L90.3Very high89.8Confident120 Ų12087.4 Ų87.463%0.62841%0.408SS*.Hα-helixtrans-63.9-40.1175.1-77.1164.7000112.4D638 H639 K645 R646D638-L642 WeakPolarHBondContact O-CG 3.49Å; D638-L642 PolarHBondContact O-N 2.77Å; H639-L642 PolarHBondContact O-N 3.25Å; L642-K645 PolarHBondContact O-N 3.37Å; L642-R646 WeakPolarHBondContact O-CB 3.41Å; L642-R646 PolarHBondContact O-N 2.9Å
643E89.3Confident90.2Very high92 Ų9292.8 Ų92.843%0.4342%0.423SS..Hα-helixtrans-66.8-45.3176.9-172.7177.1-125.200112H639 R640 K645 R646 A647H639-E643 WeakPolarHBondContact O-CB 3.35Å; H639-E643 PolarHBondContact O-N 2.98Å; R640-E643 WeakPolarHBondContact CD-OE2 3.35Å; R640-E643 IonicContact CZ-OE2 2.67Å; R640-E643 IonicContact NE-OE2 3.25Å; R640-E643 IonicContact NH1-OE2 2.68Å; R640-E643 PolarHBondContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact O-N 3.24Å; E643-K645 VanDerWaalsContact C-N 3.31Å; E643-K645 PolarHBondContact O-N 2.87Å; E643-R646 PolarHBondContact O-N 3.31Å; E643-A647 WeakPolarHBondContact O-CB 3.46Å; E643-A647 PolarHBondContact O-N 3.43Å
644I90.3Very high90.3Very high52 Ų5297.8 Ų97.827%0.26745%0.449SS..Hα-helixtrans-63-38.1174.1-69.9165.5000111L563 R640 K648L563-I644 HydrophobicContact CD1-CD1 4.28Å; R640-I644 HydrophobicContact CG-CD1 4.01Å; R640-I644 WeakPolarHBondContact O-CB 3.35Å; R640-I644 WeakPolarHBondContact O-CD1 3.43Å; R640-I644 VanDerWaalsContact O-CG1 3.24Å; R640-I644 WeakPolarHBondContact O-CG1 3.47Å; R640-I644 PolarHBondContact O-N 2.92Å; I644-K648 HydrophobicContact CG2-CD 4.48Å; I644-K648 WeakPolarHBondContact O-CG 3.35Å; I644-K648 PolarHBondContact O-N 3.45Å; I644-K648 VanDerWaalsContact O-N 3.16Å
645K92Very high90.5Very high117 Ų117101 Ų10151%0.50946%0.461SS..Hα-helixtrans-62.3-52.6174.4177177.8168178.70110.9L641 L642 E643 A647 K648 E649L641-K645 VanDerWaalsContact O-CB 3.3Å; L641-K645 WeakPolarHBondContact O-CB 3.43Å; L641-K645 PolarHBondContact O-N 2.91Å; L642-K645 PolarHBondContact O-N 3.37Å; E643-K645 VanDerWaalsContact C-N 3.31Å; E643-K645 PolarHBondContact O-N 2.87Å; K645-A647 VanDerWaalsContact C-N 3.31Å; K645-A647 PolarHBondContact O-N 3.46Å; K645-K648 PolarHBondContact O-N 3.4Å; K645-K648 VanDerWaalsContact O-N 3.12Å; K645-E649 VanDerWaalsContact CE-CD 3.43Å; K645-E649 WeakPolarHBondContact CE-OE1 3.46Å; K645-E649 HydrophobicContact CG-CG 4.48Å; K645-E649 IonicContact NZ-OE1 3.46Å; K645-E649 PolarHBondContact NZ-OE1 2.89Å; K645-E649 WeakPolarHBondContact O-CG 3.4Å; K645-E649 PolarHBondContact O-N 3.45Å
646R91.3Very high90.7Very high175 Ų175101.8 Ų101.866%0.6647%0.469SS*.Hα-helixtrans-58.5-42.3178.8-179.8178.9174164.62.2112L642 E643 K648 E649 E650L642-R646 WeakPolarHBondContact O-CB 3.41Å; L642-R646 PolarHBondContact O-N 2.9Å; E643-R646 PolarHBondContact O-N 3.31Å; R646-K648 VanDerWaalsContact C-N 3.3Å; R646-K648 PolarHBondContact O-N 3.16Å; R646-E649 PolarHBondContact O-N 2.85Å; R646-E650 WeakPolarHBondContact O-CB 3.41Å; R646-E650 PolarHBondContact O-N 3.46Å
647A91.1Very high90.9Very high56 Ų56104.5 Ų104.546%0.46348%0.48SS..Hα-helixtrans-61.8-37.3177.600000112.4E643 K645 E650 E651E643-A647 WeakPolarHBondContact O-CB 3.46Å; E643-A647 PolarHBondContact O-N 3.43Å; K645-A647 VanDerWaalsContact C-N 3.31Å; K645-A647 PolarHBondContact O-N 3.46Å; A647-E650 PolarHBondContact O-N 3.02Å; A647-E651 WeakPolarHBondContact O-CB 3.5Å; A647-E651 PolarHBondContact O-N 2.87Å
648K92.5Very high91Very high136 Ų136105.7 Ų105.759%0.59150%0.496SS*.Hα-helixtrans-70-43.2174.2-73.1176.9178.6-176.40112.7I644 K645 R646 E650 E651 E652I644-K648 HydrophobicContact CG2-CD 4.48Å; I644-K648 WeakPolarHBondContact O-CG 3.35Å; I644-K648 PolarHBondContact O-N 3.45Å; I644-K648 VanDerWaalsContact O-N 3.16Å; K645-K648 PolarHBondContact O-N 3.4Å; K645-K648 VanDerWaalsContact O-N 3.12Å; R646-K648 VanDerWaalsContact C-N 3.3Å; R646-K648 PolarHBondContact O-N 3.16Å; K648-E650 PolarHBondContact O-N 3.47Å; K648-E651 PolarHBondContact O-N 3.37Å; K648-E652 VanDerWaalsContact O-CB 3.24Å; K648-E652 WeakPolarHBondContact O-CB 3.19Å; K648-E652 PolarHBondContact O-N 2.96Å
649E92.1Very high91.1Very high94 Ų94108.8 Ų108.844%0.43951%0.508SS..Hα-helixtrans-62.2-30.2175.5-68.7171.5151.100111.6K645 R646 R653K645-E649 VanDerWaalsContact CE-CD 3.43Å; K645-E649 WeakPolarHBondContact CE-OE1 3.46Å; K645-E649 HydrophobicContact CG-CG 4.48Å; K645-E649 IonicContact NZ-OE1 3.46Å; K645-E649 PolarHBondContact NZ-OE1 2.89Å; K645-E649 WeakPolarHBondContact O-CG 3.4Å; K645-E649 PolarHBondContact O-N 3.45Å; R646-E649 PolarHBondContact O-N 2.85Å; E649-R653 WeakPolarHBondContact O-CG 3.48Å; E649-R653 PolarHBondContact O-N 2.99Å
650E90Very high91.3Very high90 Ų90108.2 Ų108.242%0.42151%0.508SS..Hα-helixtrans-80.1-39.8174.5-169.9145.9-144.500112.9R646 A647 K648 R653 I654R646-E650 WeakPolarHBondContact O-CB 3.41Å; R646-E650 PolarHBondContact O-N 3.46Å; A647-E650 PolarHBondContact O-N 3.02Å; K648-E650 PolarHBondContact O-N 3.47Å; E650-R653 PolarHBondContact O-N 3.15Å; E650-I654 HydrophobicContact CG-CD1 4.15Å; E650-I654 WeakPolarHBondContact O-CB 3.44Å; E650-I654 WeakPolarHBondContact O-CD1 3.33Å; E650-I654 VanDerWaalsContact O-CG1 3.24Å; E650-I654 WeakPolarHBondContact O-CG1 3.48Å; E650-I654 PolarHBondContact O-N 2.9Å
651E91.3Very high91.5Very high122 Ų122111.2 Ų111.257%0.5752%0.524SS*.Hα-helixtrans-62.4-41.7171.6-172-174.416800111.9A647 K648 I654 R655A647-E651 WeakPolarHBondContact O-CB 3.5Å; A647-E651 PolarHBondContact O-N 2.87Å; K648-E651 PolarHBondContact O-N 3.37Å; E651-I654 PolarHBondContact O-N 3.17Å; E651-R655 PolarHBondContact O-N 3.21Å
652E91.9Very high91.6Very high124 Ų124112.4 Ų112.458%0.57953%0.527SS*.Hα-helixtrans-62-49.5177-172.6160.2-134.800110.7K648 I654 R655 E656K648-E652 VanDerWaalsContact O-CB 3.24Å; K648-E652 WeakPolarHBondContact O-CB 3.19Å; K648-E652 PolarHBondContact O-N 2.96Å; E652-I654 VanDerWaalsContact C-N 3.34Å; E652-I654 PolarHBondContact O-N 2.9Å; E652-R655 WeakPolarHBondContact O-CB 3.44Å; E652-R655 PolarHBondContact O-N 2.91Å; E652-R655 VanDerWaalsContact O-N 3.14Å; E652-E656 WeakPolarHBondContact O-CG 3.47Å; E652-E656 PolarHBondContact O-N 3.44Å
653R92.8Very high91.6Very high138 Ų138112.1 Ų112.152%0.52152%0.522SS..Hα-helixtrans-57.9-40.6172.8-81.5-17857.2-103.7-15.9113.8E649 E650 R655 E656 E657E649-R653 WeakPolarHBondContact O-CG 3.48Å; E649-R653 PolarHBondContact O-N 2.99Å; E650-R653 PolarHBondContact O-N 3.15Å; R653-R655 VanDerWaalsContact C-N 3.33Å; R653-E656 PolarHBondContact O-N 3.22Å; R653-E657 PolarHBondContact O-N 3.33Å
654I92.6Very high91.6Very high105 Ų105113.6 Ų113.654%0.53853%0.533SS..Hα-helixtrans-67.6-36.3178.4-71.5164.7000110.7E650 E651 E652 A658E650-I654 HydrophobicContact CG-CD1 4.15Å; E650-I654 WeakPolarHBondContact O-CB 3.44Å; E650-I654 WeakPolarHBondContact O-CD1 3.33Å; E650-I654 VanDerWaalsContact O-CG1 3.24Å; E650-I654 WeakPolarHBondContact O-CG1 3.48Å; E650-I654 PolarHBondContact O-N 2.9Å; E651-I654 PolarHBondContact O-N 3.17Å; E652-I654 VanDerWaalsContact C-N 3.34Å; E652-I654 PolarHBondContact O-N 2.9Å; I654-A658 WeakPolarHBondContact O-CB 3.43Å; I654-A658 PolarHBondContact O-N 3.45Å
655R93.3Very high91.7Very high164 Ų164117.1 Ų117.162%0.61954%0.543SS*.Hα-helixtrans-65.5-48.3172.5179.6-177.9-68.9-155.90.4111.6E651 E652 R653 E657 A658 E659E651-R655 PolarHBondContact O-N 3.21Å; E652-R655 WeakPolarHBondContact O-CB 3.44Å; E652-R655 PolarHBondContact O-N 2.91Å; E652-R655 VanDerWaalsContact O-N 3.14Å; R653-R655 VanDerWaalsContact C-N 3.33Å; R655-E657 PolarHBondContact O-N 2.88Å; R655-A658 PolarHBondContact O-N 3.38Å; R655-E659 PolarHBondContact O-N 2.91Å
656E91.9Very high91.7Very high111 Ų111115.9 Ų115.952%0.51954%0.541SS..Hα-helixtrans-58.5-45.6177.6-71.6-177.6148.600111.6E652 R653 A658 E659 I660E652-E656 WeakPolarHBondContact O-CG 3.47Å; E652-E656 PolarHBondContact O-N 3.44Å; R653-E656 PolarHBondContact O-N 3.22Å; E656-A658 VanDerWaalsContact C-N 3.33Å; E656-A658 PolarHBondContact O-N 3.38Å; E656-E659 PolarHBondContact O-N 3.46Å; E656-I660 WeakPolarHBondContact O-CB 3.36Å; E656-I660 WeakPolarHBondContact O-CD1 3.36Å; E656-I660 VanDerWaalsContact O-CG1 3.26Å; E656-I660 WeakPolarHBondContact O-CG1 3.22Å; E656-I660 PolarHBondContact O-N 2.8Å
657E90.1Very high91.5Very high119 Ų119114.8 Ų114.856%0.55654%0.537SS*.Hα-helixtrans-62.3-40.4176.3-166.4-170.4134.300111.6R653 R655 K661R653-E657 PolarHBondContact O-N 3.33Å; R655-E657 PolarHBondContact O-N 2.88Å; E657-K661 WeakPolarHBondContact O-CB 3.43Å; E657-K661 PolarHBondContact O-N 2.88Å
658A92Very high91.4Very high57 Ų57114.9 Ų114.947%0.47154%0.538SS..Hα-helixtrans-65.1-41.417700000112.6I654 R655 E656 K661 E662I654-A658 WeakPolarHBondContact O-CB 3.43Å; I654-A658 PolarHBondContact O-N 3.45Å; R655-A658 PolarHBondContact O-N 3.38Å; E656-A658 VanDerWaalsContact C-N 3.33Å; E656-A658 PolarHBondContact O-N 3.38Å; A658-K661 PolarHBondContact O-N 3.49Å; A658-E662 PolarHBondContact O-N 2.98Å
659E93.2Very high91.4Very high137 Ų137111.2 Ų111.264%0.6452%0.523SS*.Hα-helixtrans-69.3-45.2179.4-171.8162.5-169.900111.7R655 E656 K661 E662 E663R655-E659 PolarHBondContact O-N 2.91Å; E656-E659 PolarHBondContact O-N 3.46Å; E659-K661 VanDerWaalsContact C-N 3.26Å; E659-K661 PolarHBondContact O-N 3.24Å; E659-E662 PolarHBondContact O-N 2.9Å; E659-E663 PolarHBondContact O-N 3.14Å
660I91.5Very high91.3Very high110 Ų110109.4 Ų109.456%0.56452%0.524SS*.Hα-helixtrans-58.2-40.4173.1-69166.3000110.9E656 E663 L664E656-I660 WeakPolarHBondContact O-CB 3.36Å; E656-I660 WeakPolarHBondContact O-CD1 3.36Å; E656-I660 VanDerWaalsContact O-CG1 3.26Å; E656-I660 WeakPolarHBondContact O-CG1 3.22Å; E656-I660 PolarHBondContact O-N 2.8Å; I660-E663 PolarHBondContact O-N 3.36Å; I660-L664 WeakPolarHBondContact O-CB 3.47Å; I660-L664 PolarHBondContact O-N 3.04Å
661K91.3Very high91.3Very high142 Ų142111.5 Ų111.562%0.61753%0.532SS*.Hα-helixtrans-69.8-33.6179-174.7176.4-172.5169.60112.9E657 A658 E659 R665E657-K661 WeakPolarHBondContact O-CB 3.43Å; E657-K661 PolarHBondContact O-N 2.88Å; A658-K661 PolarHBondContact O-N 3.49Å; E659-K661 VanDerWaalsContact C-N 3.26Å; E659-K661 PolarHBondContact O-N 3.24Å; K661-R665 PolarHBondContact O-N 3.02Å; K661-R665 VanDerWaalsContact O-N 3.15Å
662E92.1Very high91.1Very high100 Ų100112.4 Ų112.447%0.46754%0.536SS..Hα-helixtrans-70.1-44.4170.7179126.5-10900111.7A658 E659 L664 R665 L666A658-E662 PolarHBondContact O-N 2.98Å; E659-E662 PolarHBondContact O-N 2.9Å; E662-L664 VanDerWaalsContact C-N 3.31Å; E662-L664 PolarHBondContact O-N 3Å; E662-R665 WeakPolarHBondContact O-CB 3.43Å; E662-R665 PolarHBondContact O-N 3.26Å; E662-R665 VanDerWaalsContact O-N 3.14Å; E662-R665 IonicContact OE1-CZ 2.85Å; E662-R665 IonicContact OE1-NE 3.62Å; E662-R665 IonicContact OE1-NH2 2.95Å; E662-R665 PolarHBondContact OE1-NH2 3.3Å; E662-L666 HydrophobicContact CG-CD1 4.06Å; E662-L666 HydrophobicContact CG-CG 4.43Å; E662-L666 WeakPolarHBondContact O-CG 3.46Å; E662-L666 PolarHBondContact O-N 2.86Å
663E91.1Very high91Very high113 Ų113112.3 Ų112.353%0.52853%0.533SS..Hα-helixtrans-59.2-44.4174.9-161.5-149.1131.400110.9E659 I660 R665 L666 R667E659-E663 PolarHBondContact O-N 3.14Å; I660-E663 PolarHBondContact O-N 3.36Å; E663-R665 VanDerWaalsContact C-N 3.28Å; E663-R665 PolarHBondContact O-N 2.78Å; E663-L666 PolarHBondContact O-N 2.83Å; E663-R667 VanDerWaalsContact O-CB 3.24Å; E663-R667 WeakPolarHBondContact O-CB 3.46Å; E663-R667 PolarHBondContact O-N 3.35Å; E663-R667 IonicContact OE1-NH1 3.83Å
664L88.8Confident90.8Very high123 Ų123111.9 Ų111.964%0.64454%0.538SS*.Hα-helixtrans-60.3-38.4177.5-135.783.1000112.1I660 E662 A668I660-L664 WeakPolarHBondContact O-CB 3.47Å; I660-L664 PolarHBondContact O-N 3.04Å; E662-L664 VanDerWaalsContact C-N 3.31Å; E662-L664 PolarHBondContact O-N 3Å; L664-A668 WeakPolarHBondContact O-CB 3.22Å; L664-A668 PolarHBondContact O-N 2.82Å
665R92.4Very high90.5Very high126 Ų126113.5 Ų113.548%0.47554%0.541SS..Hα-helixtrans-65.7-51.6175.4-177.917972.299.7-13.7111.3K661 E662 E663 R667 A668 E669K661-R665 PolarHBondContact O-N 3.02Å; K661-R665 VanDerWaalsContact O-N 3.15Å; E662-R665 WeakPolarHBondContact O-CB 3.43Å; E662-R665 PolarHBondContact O-N 3.26Å; E662-R665 VanDerWaalsContact O-N 3.14Å; E662-R665 IonicContact OE1-CZ 2.85Å; E662-R665 IonicContact OE1-NE 3.62Å; E662-R665 IonicContact OE1-NH2 2.95Å; E662-R665 PolarHBondContact OE1-NH2 3.3Å; E663-R665 VanDerWaalsContact C-N 3.28Å; E663-R665 PolarHBondContact O-N 2.78Å; R665-R667 PolarHBondContact O-N 3.29Å; R665-A668 WeakPolarHBondContact O-CB 3.45Å; R665-A668 PolarHBondContact O-N 2.95Å; R665-A668 VanDerWaalsContact O-N 3.07Å; R665-E669 IonicContact CZ-OE1 3.83Å; R665-E669 IonicContact NH1-OE1 2.88Å; R665-E669 PolarHBondContact NH1-OE1 2.76Å; R665-E669 PolarHBondContact O-N 3.04Å
666L91.7Very high90.1Very high92 Ų92112.1 Ų112.148%0.48254%0.541SS..Hα-helixtrans-59.3-37.9178.3-69171.2000111.5E662 E663 E669 A670E662-L666 HydrophobicContact CG-CD1 4.06Å; E662-L666 HydrophobicContact CG-CG 4.43Å; E662-L666 WeakPolarHBondContact O-CG 3.46Å; E662-L666 PolarHBondContact O-N 2.86Å; E663-L666 PolarHBondContact O-N 2.83Å; L666-E669 PolarHBondContact O-N 3.23Å; L666-A670 WeakPolarHBondContact O-CB 3.5Å; L666-A670 PolarHBondContact O-N 2.67Å
667R88.7Confident89.9Confident151 Ų151116.1 Ų116.157%0.5755%0.551SS**Hα-helixtrans-72.9-27.5176.6-163.2168.7-173169.9-1.4113.4E663 R665 K671E663-R667 VanDerWaalsContact O-CB 3.24Å; E663-R667 WeakPolarHBondContact O-CB 3.46Å; E663-R667 PolarHBondContact O-N 3.35Å; E663-R667 IonicContact OE1-NH1 3.83Å; R665-R667 PolarHBondContact O-N 3.29Å; R667-K671 WeakPolarHBondContact O-CG 3.45Å; R667-K671 PolarHBondContact O-N 3.39Å
668A88.5Confident89.6Confident58 Ų58115.6 Ų115.648%0.47955%0.552SS.*Hα-helixtrans-71.7-48.6169.600000111.3L664 R665 A670 K671 E672L664-A668 WeakPolarHBondContact O-CB 3.22Å; L664-A668 PolarHBondContact O-N 2.82Å; R665-A668 WeakPolarHBondContact O-CB 3.45Å; R665-A668 PolarHBondContact O-N 2.95Å; R665-A668 VanDerWaalsContact O-N 3.07Å; A668-A670 VanDerWaalsContact C-N 3.26Å; A668-A670 PolarHBondContact O-N 2.71Å; A668-K671 PolarHBondContact O-N 2.84Å; A668-K671 VanDerWaalsContact O-N 3.13Å; A668-E672 PolarHBondContact O-N 3.32Å
669E91.8Very high89.3Confident60 Ų60118 Ų11828%0.2855%0.554SS.*Hα-helixtrans-58.9-36.4175.6-70.2-178.4-148.600112.3R665 L666 E672 K673R665-E669 IonicContact CZ-OE1 3.83Å; R665-E669 IonicContact NH1-OE1 2.88Å; R665-E669 PolarHBondContact NH1-OE1 2.76Å; R665-E669 PolarHBondContact O-N 3.04Å; L666-E669 PolarHBondContact O-N 3.23Å; E669-E672 PolarHBondContact O-N 3.24Å; E669-K673 WeakPolarHBondContact O-CD 3.46Å; E669-K673 WeakPolarHBondContact O-CG 3.45Å; E669-K673 PolarHBondContact O-N 2.96Å; E669-K673 VanDerWaalsContact O-N 3.09Å; E669-K673 IonicContact OE2-NZ 3.98Å; E669-K673 PolarHBondContact OE2-NZ 3.2Å
670A91.4Very high88.8Confident56 Ų56118.6 Ų118.646%0.46355%0.554SS.*Hα-helixtrans-65.2-44.8174.600000112.3L666 A668 E672 K673 E674L666-A670 WeakPolarHBondContact O-CB 3.5Å; L666-A670 PolarHBondContact O-N 2.67Å; A668-A670 VanDerWaalsContact C-N 3.26Å; A668-A670 PolarHBondContact O-N 2.71Å; A670-E672 VanDerWaalsContact C-N 3.33Å; A670-E672 PolarHBondContact O-N 3.48Å; A670-K673 PolarHBondContact O-N 2.84Å; A670-E674 WeakPolarHBondContact O-CB 3.39Å; A670-E674 PolarHBondContact O-N 2.91Å
671K89.3Confident88.4Confident133 Ų133117.3 Ų117.358%0.57855%0.545SS*.Hα-helixtrans-65.3-34.3175.9-76.3175.6177.3-179.60112.7R667 A668 K675R667-K671 WeakPolarHBondContact O-CG 3.45Å; R667-K671 PolarHBondContact O-N 3.39Å; A668-K671 PolarHBondContact O-N 2.84Å; A668-K671 VanDerWaalsContact O-N 3.13Å; K671-K675 WeakPolarHBondContact O-CB 3.31Å; K671-K675 PolarHBondContact O-N 2.87Å
672E87.5Confident87.9Confident142 Ų142120 Ų12066%0.66455%0.552SS**Hα-helixtrans-66.6-47.3175.4-174.5163.9-140.500111.3A668 E669 A670 E674 K675 E676A668-E672 PolarHBondContact O-N 3.32Å; E669-E672 PolarHBondContact O-N 3.24Å; A670-E672 VanDerWaalsContact C-N 3.33Å; A670-E672 PolarHBondContact O-N 3.48Å; E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.23Å; E672-K675 PolarHBondContact O-N 2.8Å; E672-E676 PolarHBondContact O-N 2.79Å
673K89.7Confident87.2Confident121 Ų121120.6 Ų120.653%0.52656%0.558SS.*Hα-helixtrans-62.1-35.8174.5-70.3161.7-172.9154.90112.5E669 A670 R677E669-K673 WeakPolarHBondContact O-CD 3.46Å; E669-K673 WeakPolarHBondContact O-CG 3.45Å; E669-K673 PolarHBondContact O-N 2.96Å; E669-K673 VanDerWaalsContact O-N 3.09Å; E669-K673 IonicContact OE2-NZ 3.98Å; E669-K673 PolarHBondContact OE2-NZ 3.2Å; A670-K673 PolarHBondContact O-N 2.84Å; K673-R677 WeakPolarHBondContact O-CB 3.41Å; K673-R677 PolarHBondContact O-N 2.81Å; K673-R677 VanDerWaalsContact O-N 3.08Å
674E87.4Confident86.5Confident130 Ų130121.6 Ų121.661%0.60756%0.562SS**Hα-helixtrans-65.4-47.3172.6-177.3174.4-145.800111.7A670 E672 E676 R677 L678A670-E674 WeakPolarHBondContact O-CB 3.39Å; A670-E674 PolarHBondContact O-N 2.91Å; E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.23Å; E674-E676 PolarHBondContact O-N 2.89Å; E674-R677 WeakPolarHBondContact O-CB 3.5Å; E674-R677 PolarHBondContact O-N 2.84Å; E674-L678 WeakPolarHBondContact O-CB 3.43Å; E674-L678 PolarHBondContact O-N 3Å
675K86.3Confident86Confident138 Ų138122.2 Ų122.260%0.656%0.56SS**Hα-helixtrans-59.7-46.4176.3-177.2-163.8166.4-1570111.6K671 E672 R677 L678 E679K671-K675 WeakPolarHBondContact O-CB 3.31Å; K671-K675 PolarHBondContact O-N 2.87Å; E672-K675 PolarHBondContact O-N 2.8Å; K675-R677 VanDerWaalsContact C-N 3.33Å; K675-R677 PolarHBondContact O-N 2.81Å; K675-L678 PolarHBondContact O-N 3.04Å; K675-E679 WeakPolarHBondContact O-CB 3.27Å; K675-E679 PolarHBondContact O-N 3.25Å
676E85.8Confident85Confident135 Ų135123.9 Ų123.963%0.63157%0.57SS**Hα-helixtrans-59-44.4177.5-170.4-167.5175.400111.1E672 E674 L678 E679 K680E672-E676 PolarHBondContact O-N 2.79Å; E674-E676 PolarHBondContact O-N 2.89Å; E676-L678 PolarHBondContact O-N 3.4Å; E676-E679 PolarHBondContact O-N 2.86Å; E676-K680 WeakPolarHBondContact O-CB 3.34Å; E676-K680 PolarHBondContact O-N 2.89Å
677R87.2Confident84Confident195 Ų195122.5 Ų122.574%0.73657%0.572SS**Hα-helixtrans-60.7-43.3175.6-177.6-179.7175.8-168.7-1.9112.1K673 E674 K675 K680 E681K673-R677 WeakPolarHBondContact O-CB 3.41Å; K673-R677 PolarHBondContact O-N 2.81Å; K673-R677 VanDerWaalsContact O-N 3.08Å; E674-R677 WeakPolarHBondContact O-CB 3.5Å; E674-R677 PolarHBondContact O-N 2.84Å; K675-R677 VanDerWaalsContact C-N 3.33Å; K675-R677 PolarHBondContact O-N 2.81Å; R677-K680 PolarHBondContact O-N 3.37Å; R677-E681 PolarHBondContact O-N 3.37Å
678L84.2Confident82.9Confident109 Ų109118.4 Ų118.457%0.57157%0.571SS**Hα-helixtrans-69.9-36.3179.8-136.1171.2000111.8E674 K675 E676 R682E674-L678 WeakPolarHBondContact O-CB 3.43Å; E674-L678 PolarHBondContact O-N 3Å; K675-L678 PolarHBondContact O-N 3.04Å; E676-L678 PolarHBondContact O-N 3.4Å; L678-R682 WeakPolarHBondContact O-CB 3.3Å; L678-R682 PolarHBondContact O-N 3.02Å
679E84.4Confident81.7Confident108 Ų108119.1 Ų119.151%0.50558%0.577SS.*Hα-helixtrans-67.9-41.1173.8-177.5153.6-156.700111.8K675 E676 R682 L683K675-E679 WeakPolarHBondContact O-CB 3.27Å; K675-E679 PolarHBondContact O-N 3.25Å; E676-E679 PolarHBondContact O-N 2.86Å; E679-R682 PolarHBondContact O-N 2.95Å; E679-L683 HydrophobicContact CG-CD1 4.49Å; E679-L683 PolarHBondContact O-N 2.81Å
680K84.5Confident80.2Confident148 Ų148120 Ų12064%0.64359%0.594SS**Hα-helixtrans-61.3-46172.7-173.7173.9-178.61750112.1E676 R677 R682 L683 E684E676-K680 WeakPolarHBondContact O-CB 3.34Å; E676-K680 PolarHBondContact O-N 2.89Å; R677-K680 PolarHBondContact O-N 3.37Å; K680-R682 VanDerWaalsContact C-N 3.29Å; K680-R682 PolarHBondContact O-N 2.98Å; K680-L683 PolarHBondContact O-N 3.09Å; K680-E684 WeakPolarHBondContact O-CB 3.5Å; K680-E684 PolarHBondContact O-N 3.35Å
681E82Confident78.6Confident83 Ų83121.1 Ų121.139%0.38860%0.604SS.*Hα-helixtrans-62.5-36.8175.4-165.8-167.5129.100111.9R677 E684 K685R677-E681 PolarHBondContact O-N 3.37Å; E681-E684 PolarHBondContact O-N 2.92Å; E681-K685 HydrophobicContact CG-CD 4.4Å; E681-K685 WeakPolarHBondContact O-CB 3.49Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.68Å; E681-K685 WeakPolarHBondContact OE1-CE 3.35Å; E681-K685 IonicContact OE1-NZ 3.28Å; E681-K685 PolarHBondContact OE1-NZ 3.25Å
682R80.6Confident77Confident199 Ų199119 Ų11975%0.75161%0.611SS**Hα-helixtrans-68.4-37175.8-173.3174.4-178.3160.10.7112.5L678 E679 K680 K686L678-R682 WeakPolarHBondContact O-CB 3.3Å; L678-R682 PolarHBondContact O-N 3.02Å; E679-R682 PolarHBondContact O-N 2.95Å; K680-R682 VanDerWaalsContact C-N 3.29Å; K680-R682 PolarHBondContact O-N 2.98Å; R682-K686 WeakPolarHBondContact O-CB 3.34Å; R682-K686 PolarHBondContact O-N 2.72Å; R682-K686 VanDerWaalsContact O-N 3.09Å
683L77.9Confident75.1Confident113 Ų113116.3 Ų116.359%0.59261%0.613SS**Hα-helixtrans-66.4-44171.9-88.4159.9000111.6E679 K680 K686 A687E679-L683 HydrophobicContact CG-CD1 4.49Å; E679-L683 PolarHBondContact O-N 2.81Å; K680-L683 PolarHBondContact O-N 3.09Å; L683-K686 PolarHBondContact O-N 2.72Å; L683-K686 VanDerWaalsContact O-N 3.17Å; L683-A687 PolarHBondContact O-N 3.17Å
684E77.4Confident73Confident134 Ų134117.9 Ų117.963%0.62663%0.627SS**Hα-helixtrans-62.7-45.7177.2-173.4168.3-166.600111.9K680 E681 K686 A687 A688K680-E684 WeakPolarHBondContact O-CB 3.5Å; K680-E684 PolarHBondContact O-N 3.35Å; E681-E684 PolarHBondContact O-N 2.92Å; E684-K686 VanDerWaalsContact C-N 3.28Å; E684-K686 PolarHBondContact O-N 3.45Å; E684-A687 PolarHBondContact O-N 3.07Å; E684-A688 WeakPolarHBondContact O-CB 3.46Å; E684-A688 PolarHBondContact O-N 3.43Å
685K76.5Confident71Confident136 Ų136117 Ų11759%0.59163%0.632SS**Hα-helixtrans-61.3-34.2172.7-77.6172.51721710112.8E681 A689E681-K685 HydrophobicContact CG-CD 4.4Å; E681-K685 WeakPolarHBondContact O-CB 3.49Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.68Å; E681-K685 WeakPolarHBondContact OE1-CE 3.35Å; E681-K685 IonicContact OE1-NZ 3.28Å; E681-K685 PolarHBondContact OE1-NZ 3.25Å; K685-A689 WeakPolarHBondContact O-CB 3.47Å; K685-A689 PolarHBondContact O-N 2.87Å; K685-A689 VanDerWaalsContact O-N 3.07Å
686K72.9Confident68.7Low160 Ų160117.9 Ų117.970%0.69664%0.644SS**Hα-helixtrans-72.4-35.4175-166.6178.1-179.7-1740112.3R682 L683 E684 A690R682-K686 WeakPolarHBondContact O-CB 3.34Å; R682-K686 PolarHBondContact O-N 2.72Å; R682-K686 VanDerWaalsContact O-N 3.09Å; L683-K686 PolarHBondContact O-N 2.72Å; L683-K686 VanDerWaalsContact O-N 3.17Å; E684-K686 VanDerWaalsContact C-N 3.28Å; E684-K686 PolarHBondContact O-N 3.45Å; K686-A690 PolarHBondContact O-N 3.18Å
687A70.1Confident66.7Low63 Ų63116 Ų11652%0.52164%0.643SS.*Hα-helixtrans-67.9-43.7173.200000111.7L683 E684 A689 A690 A691L683-A687 PolarHBondContact O-N 3.17Å; E684-A687 PolarHBondContact O-N 3.07Å; A687-A689 VanDerWaalsContact C-N 3.33Å; A687-A689 PolarHBondContact O-N 3.14Å; A687-A690 PolarHBondContact O-N 3.46Å; A687-A690 VanDerWaalsContact O-N 3.14Å; A687-A691 PolarHBondContact O-N 2.84Å
688A65.8Low64.4Low66 Ų66112.7 Ų112.755%0.54565%0.645SS.*Hα-helixtrans-60.2-40.9174.700000112.4E684 A690 A691 A692E684-A688 WeakPolarHBondContact O-CB 3.46Å; E684-A688 PolarHBondContact O-N 3.43Å; A688-A690 VanDerWaalsContact C-N 3.33Å; A688-A690 PolarHBondContact O-N 2.96Å; A688-A691 PolarHBondContact O-N 3.43Å; A688-A692 PolarHBondContact O-N 3.15Å
689A63.2Low62.3Low73 Ų73112.6 Ų112.660%0.60365%0.651SS**Hα-helixtrans-64.5-33.9174.600000113.2K685 A687K685-A689 WeakPolarHBondContact O-CB 3.47Å; K685-A689 PolarHBondContact O-N 2.87Å; K685-A689 VanDerWaalsContact O-N 3.07Å; A687-A689 VanDerWaalsContact C-N 3.33Å; A687-A689 PolarHBondContact O-N 3.14Å
690A59.3Low60.2Low77 Ų77114.9 Ų114.964%0.63667%0.665SS**Hα-helixtrans-74.9-30.8175.200000112.9K686 A687 A688 A692K686-A690 PolarHBondContact O-N 3.18Å; A687-A690 PolarHBondContact O-N 3.46Å; A687-A690 VanDerWaalsContact O-N 3.14Å; A688-A690 VanDerWaalsContact C-N 3.33Å; A688-A690 PolarHBondContact O-N 2.96Å; A690-A692 VanDerWaalsContact C-N 3.29Å; A690-A692 PolarHBondContact O-N 3.3Å
691A59.5Low58.1Low81 Ų81113.1 Ų113.167%0.66967%0.669SS**Hα-helixtrans-72.9-16.3179.100000114A687 A688 A693A687-A691 PolarHBondContact O-N 2.84Å; A688-A691 PolarHBondContact O-N 3.43Å; A691-A693 PolarHBondContact O-N 3.42Å; A691-A693 VanDerWaalsContact O-N 3.15Å
692A55.1Low56.3Low88 Ų88114 Ų11473%0.72768%0.681SS**THydrogen-bonded Turntrans-75.66.4-177.100000115.1A688 A690A688-A692 PolarHBondContact O-N 3.15Å; A690-A692 VanDerWaalsContact C-N 3.29Å; A690-A692 PolarHBondContact O-N 3.3Å
693A47.2Very low54.1Low86 Ų86110.7 Ų110.771%0.71168%0.684SS**SBendtrans-119.332.3-163.900000115.8A691A691-A693 PolarHBondContact O-N 3.42Å; A691-A693 VanDerWaalsContact O-N 3.15Å
694N45.3Very low52.4Low153 Ų153111 Ų11182%0.81869%0.692SS**  trans-156.8133.7163-1441.7000112.5
695P45.1Very low50.4Low111 Ų111108.6 Ų108.672%0.72170%0.696SS**  trans-106.6159.5-174.238.2-33.4000116.2
696N38.3Very low48.6Very low157 Ų157108.5 Ų108.584%0.8471%0.707SS**  trans81.6160.2158.9-119.121.6000118
697P44.6Very low47.2Very low95 Ų95105.8 Ų105.862%0.61771%0.705SS**  -136.5172.9-91.242.8-26.5000118.1
698T37.9Very low45.7Very low126 Ų126110.9 Ų110.977%0.77372%0.718SS**  trans-20.7168.8156.944.20000121.4
699P41.7Very low44.4Very low108 Ų108113 Ų11370%0.70173%0.729SS**  cis-146.2-170.11.226.61.2000118.5
700I39.1Very low43.2Very low155 Ų155115 Ų11580%0.79574%0.738SS**  trans91.5135.2153.2-45.3-164.2000120
701P40.8Very low42.2Very low112 Ų112115.4 Ų115.473%0.72774%0.742SS**  trans-113-150.3-179.647.4-37.7000112.8
702P43.9Very low41.2Very low100 Ų100119.9 Ų119.965%0.64975%0.749SS**  cis-143.3-178.8-9.743.9-24.7000119
703T35.7Very low40.2Very low130 Ų130123.2 Ų123.280%0.79875%0.749SS**  trans76.8172155.969.80000119.9
704P40.7Very low39.6Very low119 Ų119126.4 Ų126.477%0.77375%0.75SS**  -136.6-175.6-87.341.8-22.3000118.1
705A35.8Very low39.4Very low84 Ų84124.6 Ų124.669%0.69475%0.746SS**  trans85.7102.4163.900000119.4
706T39.7Very low38.8Very low134 Ų134126.4 Ų126.482%0.82275%0.748SS**  72.5150.794.857.40000118.1
707P42.1Very low39.2Very low103 Ų103124.8 Ų124.867%0.66975%0.746SS**  cis-138.4-172.8-13.227.5-1.7000116.6
708H39.6Very low38.9Very low170 Ų170125.6 Ų125.679%0.78775%0.752SS**  trans91.8124.9160.5-66.3-73.8000123.2
709S38.4Very low39.2Very low111 Ų111125.3 Ų125.378%0.77675%0.752SS**  trans63.1140146-600000120.8
710S37.9Very low38.6Very low115 Ų115127.6 Ų127.680%0.80476%0.757SS**  cis-169.2162.4-4.844.80000112.7
711A39.1Very low38.3Very low86 Ų86124.6 Ų124.671%0.71175%0.75SS**  trans102.3114.7163.200000120
712Q37.8Very low37.9Very low175 Ų175125.9 Ų125.982%0.81876%0.756SS**  trans48135.6144.8-73.7171.6-56.500121.6
713Q34.8Very low37.3Very low157 Ų157129.8 Ų129.873%0.73477%0.766SS**  cis-166.8-171.1-8.6-14617622.400109.8
714Q34.6Very low37.1Very low153 Ų153129.1 Ų129.172%0.71576%0.762SS**  trans86.4149.8173.7-60.5-62.1-18.600115.8
715P39.4Very low36.7Very low116 Ų116129 Ų12975%0.75376%0.763SS**  -107171-122.12.220.2000117.9
716I32.4Very low36.6Very low148 Ų148129.5 Ų129.576%0.75977%0.768SS**  trans-132.3139.2-162.1-56166000112.6P718I716-P718 HydrophobicContact CG2-CG 4.48Å
717P46.7Very low36.3Very low123 Ų123130.8 Ų130.880%0.79977%0.765SS**  trans-128.3128.5151.634.9-21.7000113.7
718P39.4Very low35.9Very low113 Ų113132.3 Ų132.373%0.73477%0.766SS**  trans-122.5161176.639.7-27.7000115I716I716-P718 HydrophobicContact CG2-CG 4.48Å
719P43.1Very low35.7Very low119 Ų119131.5 Ų131.577%0.77376%0.762SS**  trans-114.8177.7171.240.6-32.2000115
720L30.8Very low35.5Very low156 Ų156133.7 Ų133.782%0.81776%0.76SS**  trans93107.7153.9-132.183.4000122
721S31.6Very low35.1Very low92 Ų92133.1 Ų133.164%0.64376%0.756SS**  trans72.2155134.168.40000124.6
722T33.5Very low34.8Very low139 Ų139133.3 Ų133.385%0.85376%0.758SS**  trans87.5171.4168.770.60000118.5
723Q30.9Very low34.6Very low182 Ų182134 Ų13485%0.8576%0.761SS**  trans-127.9159.7-138.9-60.3174.4-11.500116.1
724T30.5Very low34.3Very low116 Ų116135.3 Ų135.371%0.71277%0.767SS**  trans121.296.2137.3-42.30000118.6
725S32.2Very low34.6Very low116 Ų116134.1 Ų134.181%0.81177%0.773SS**  trans72.5146.6140.2-57.80000123.8
726A33.8Very low34.2Very low95 Ų95133.7 Ų133.779%0.78577%0.772SS**  trans67130.5178.700000116
727E33.1Very low34.1Very low162 Ų162133.3 Ų133.376%0.75778%0.777SS**  cis-152.8143.6-1.4-121.7177.491.400109.8
728I35.5Very low34Very low135 Ų135132.7 Ų132.769%0.69277%0.773SS**  trans52.4128.2153.5-58.9168.3000118.1
729Q34.2Very low33.6Very low152 Ų152133.5 Ų133.571%0.7178%0.776SS**  cis-176169.4-14.2-123.2161.4-86.100106.2
730Q35.1Very low33.2Very low157 Ų157133.6 Ų133.673%0.73477%0.774SS**  cis-140.2-114.60.2-165.1166.5-79.600111.4
731S28.3Very low33.3Very low104 Ų104133.5 Ų133.573%0.72777%0.771SS**  trans-169.9176.7-16660.90000117.2
732A33.8Very low33.3Very low90 Ų90136.1 Ų136.174%0.74478%0.776SS**  trans95.9144.5169.400000116.6
733Q32.9Very low33.3Very low189 Ų189133.6 Ų133.688%0.88377%0.769SS**  cis-156.3165.35.2-140.1164.721.500113.6
734Q29.9Very low33.5Very low185 Ų185131.7 Ų131.786%0.86477%0.765SS**  trans-128.7151.1165.1-86.5-171.2-2900109.9
735P38.9Very low33.6Very low128 Ų128132.9 Ų132.983%0.83177%0.766SS**  trans-138157.316339.2-25.1000115.6
736S31.3Very low34Very low106 Ų106133 Ų13374%0.74176%0.764SS**  trans-155.3124157.752.50000113.1
737V31.7Very low33.7Very low140 Ų140132.7 Ų132.785%0.84876%0.762SS**  trans57164.3157.8-55.20000119.9
738P43.1Very low33.6Very low111 Ų111134.1 Ų134.172%0.72177%0.77SS**  -133.2-165.9-62.138.5-21.2000114.1
739V32.4Very low33.5Very low130 Ų130132.9 Ų132.979%0.78877%0.773SS**  trans94.6109.8155.6171.10000121.5
740T34.4Very low33.8Very low120 Ų120131.2 Ų131.274%0.73678%0.776SS**  trans77.4105.2136.6-62.90000125
741M31.7Very low33.7Very low154 Ų154130.2 Ų130.276%0.75978%0.781SS**  trans68.1115.9130.8-58.6-65.3-168.500126
742I31.5Very low34Very low147 Ų147130.5 Ų130.575%0.75478%0.783SS**  75.5113.4123.8-64.3175.6000122.5
743A35.2Very low34.1Very low86 Ų86131 Ų13171%0.71179%0.787SS**  trans56.6154.2138.900000121.7
744N34.5Very low34.1Very low142 Ų142130.8 Ų130.876%0.75979%0.786SS**  cis-153.8164.1-8.5-131.63.2000111.9
745I33Very low34.9Very low141 Ų141126.7 Ų126.772%0.72378%0.775SS**  trans-24.7150.216125172.4000117.1
746P39.3Very low34.6Very low119 Ų119129.1 Ų129.177%0.77378%0.776SS**  cis-151.7147.149.740.6-19.3000121.5
747A28.5Very low35.3Very low89 Ų89127.9 Ų127.974%0.73677%0.765SS**  68.3152.8128.600000125.6
748M31.3Very low35.4Very low192 Ų192127.6 Ų127.695%0.94676%0.763SS**  trans93.7125.5157.9-52.3-144.874.900119.6
749S32.4Very low34.9Very low108 Ų108129 Ų12976%0.75576%0.764SS**  trans-125.9153.5-167.553.70000113.3
750P39.6Very low35Very low118 Ų118127.9 Ų127.977%0.76676%0.762SS**  -114.2-176.8126.640-35000109.5
751T34.1Very low35.4Very low135 Ų135127.2 Ų127.283%0.82876%0.76SS**  cis-138.1-149.57.2-32.10000109.7
752S33.9Very low35.4Very low111 Ų111125.7 Ų125.778%0.77676%0.76SS**  trans-159.6133.9-166.956.90000115.4
753A35.9Very low35.3Very low101 Ų101124 Ų12484%0.83576%0.761SS**  trans-174.2136.4148.700000108.3
754Q34Very low35Very low183 Ų183124.9 Ų124.986%0.85577%0.768SS**SBendcis-140-154.9-6.7-149.9-164-19.100109.5
755P46.3Very low34.9Very low99 Ų99122.8 Ų122.864%0.64377%0.77SS**  trans-107.6173.4-130.239-23.6000116.2
756Q33.2Very low34.9Very low179 Ų179122.6 Ų122.684%0.83678%0.775SS**  cis-169.9165.1-38.3-102.3-95.7-52.900108.4
757P45.5Very low34.9Very low81 Ų81122.4 Ų122.453%0.52677%0.774SS.*  trans-115.9-169.4-173.743.8-32.7000113.3
758V33.9Very low35.1Very low133 Ų133123.6 Ų123.681%0.80677%0.772SS**  trans-151140139.5-860000108.1
759L32.6Very low35.6Very low142 Ų142119.6 Ų119.674%0.74376%0.76SS**  cis78.7137.335.4-59.4174.7000113.2
760S34.2Very low35.7Very low106 Ų106120.3 Ų120.374%0.74176%0.76SS**  cis-159.4-139.3-4.646.20000112.7
761P43.1Very low35.5Very low106 Ų106120.1 Ų120.169%0.68876%0.757SS**  -132.7-172.2-122.340.5-19000116.9
762T31.5Very low35.3Very low122 Ų122121.1 Ų121.175%0.74875%0.754SS**  trans144.5130.7130.5-58.20000115.5
763S29.5Very low35.2Very low112 Ų112122.5 Ų122.578%0.78375%0.752SS**  trans49.4130.1156.5-63.80000125.3
764A29.8Very low34.8Very low103 Ų103126.1 Ų126.185%0.85175%0.751SS**  trans82.5158.8138.200000122
765A31.3Very low34.8Very low98 Ų98122.6 Ų122.681%0.8174%0.742SS**  trans75.994.916700000121.4
766V33.3Very low34.3Very low137 Ų137124 Ų12483%0.8375%0.75SS**  trans-28.3152.7136.4175.10000114.7
767P38.9Very low34Very low116 Ų116123.3 Ų123.375%0.75375%0.745SS**  cis-134.2-171.97.229.1-3.7000118
768V34Very low33.8Very low114 Ų114124.3 Ų124.369%0.69175%0.751SS**  trans-62.3179164.3-102.20000115.8
769P41.9Very low33.7Very low107 Ų107122.7 Ų122.770%0.69575%0.746SS**  cis-140.1171.9-8.531.8-9.2000118.5
770T33.6Very low33.6Very low124 Ų124122 Ų12276%0.76174%0.739SS**  trans52.9129.9141-550000120.6
771T34.6Very low33.6Very low113 Ų113124.8 Ų124.869%0.69374%0.744SS**  -174.5156.957.2-18.60000114.5
772M31.1Very low33.5Very low157 Ų157125.3 Ų125.377%0.77375%0.747SS**  trans71.3113.4147-67.5-90.5161.900125.6
773I31.1Very low33.5Very low140 Ų140125.6 Ų125.672%0.71875%0.748SS**  53.3117.1129.2-54.5-178.6000122.2
774H27.7Very low33.7Very low176 Ų176128.6 Ų128.682%0.81575%0.75SS**  -171.1178.798.9-157.841.3000112.9
775V34.7Very low33.7Very low110 Ų110130.6 Ų130.667%0.66775%0.747SS**  trans-145.3144.7-166.7177.30000112.1
776P35.5Very low33.8Very low127 Ų127132.2 Ų132.283%0.82575%0.746SS**  trans-141.2167.7132.226.3-5.9000116.2
777K26Very low33.9Very low165 Ų165129.7 Ų129.772%0.71774%0.74SS**  trans-96.9-179-178.9-133.5-160.7171.6-157.40111.1E780K777-E780 IonicContact NZ-OE1 2.72Å; K777-E780 PolarHBondContact NZ-OE1 2.87Å
778P41Very low33.6Very low102 Ų102129.8 Ų129.866%0.66274%0.738SS**  cis-123.9-142.643.629.5-3.7000111.8
779S31.8Very low33.5Very low100 Ų100130.6 Ų130.670%0.69974%0.744SS**  cis-152.3-179.411.8-121.50000115.1
780E31.3Very low33Very low126 Ų126129.7 Ų129.759%0.58975%0.745SS**  trans-133.8-159.4-160.2-69.475.3-149.600113.9K777K777-E780 IonicContact NZ-OE1 2.72Å; K777-E780 PolarHBondContact NZ-OE1 2.87Å
781I34.2Very low32.9Very low165 Ų165128.1 Ų128.185%0.84675%0.745SS**  trans92.9110.1178.7-58.7175.5000114.6
782P40.6Very low33.3Very low118 Ų118128.2 Ų128.277%0.76675%0.747SS**  -139-111.364.339.2-19.3000117.9
783V32.5Very low33.3Very low127 Ų127127.1 Ų127.177%0.7775%0.749SS**  trans-145.4178.4-158-65.70000111.7
784Q32.6Very low33.3Very low175 Ų175124.7 Ų124.782%0.81875%0.75SS**  cis-153.7-151.519.9-148.6171.520.400113.6
785N31.3Very low33.5Very low146 Ų146120.3 Ų120.378%0.78174%0.744SS**  trans-121178.3-157.9-59.5-9.7000113.2
786V32.8Very low33.4Very low132 Ų132122 Ų12280%0.875%0.75SS**  -165.5127.451.1171.20000115.1
787A34.6Very low33.2Very low84 Ų84122.1 Ų122.169%0.69474%0.743SS**  trans53.4168.5141.800000123.3
788T32.4Very low33.5Very low117 Ų117120.5 Ų120.572%0.71875%0.747SS**  cis-161.5140.518.6-22.60000115.9
789T32.4Very low33.5Very low132 Ų132120.8 Ų120.881%0.8175%0.749SS**  trans55.9159.9144.647.40000123.7
790A31.9Very low33.5Very low87 Ų87122.2 Ų122.272%0.71976%0.756SS**  cis-178.6134.4-22.100000110
791A31.6Very low33.5Very low92 Ų92121 Ų12176%0.7676%0.761SS**  97175.486.700000115.3
792P41.8Very low33.5Very low115 Ų115119 Ų11975%0.74776%0.758SS**  -144.5169.1-108.840.8-18.8000121.4
793V32.6Very low32.9Very low133 Ų133116.4 Ų116.481%0.80675%0.747SS**  trans53130.9141.8172.70000123.2
794A31.2Very low33.1Very low89 Ų89115.7 Ų115.774%0.73675%0.745SS**  trans-163.2171.1152.100000113.8
795A31.3Very low32.7Very low84 Ų84116.9 Ų116.969%0.69475%0.748SS**  trans-158.3178.4171.800000109.1
796N31.9Very low32.4Very low147 Ų147119.5 Ų119.579%0.78675%0.752SS**  cis-159.5-170.310-160.54.4000111
797N31.7Very low32.1Very low128 Ų128118.8 Ų118.868%0.68475%0.749SS**  trans81.1101.5158.9-71.6-2.1000120.8
798V32.3Very low31.7Very low131 Ų131123.5 Ų123.579%0.79476%0.756SS**  36.5155.6126.3-115.30000122.6
799P40.4Very low31.4Very low109 Ų109124.9 Ų124.971%0.70876%0.759SS**  -122.1-174-90.341.4-24.7000113.1
800P32.1Very low31.2Very low130 Ų130125.1 Ų125.184%0.84475%0.754SS**  -139.9163.7107.938.3-27.6000114.7
801S31.4Very low31.1Very low100 Ų100129.1 Ų129.170%0.69976%0.758SS**  trans-110.9150.9172-169.10000110.3A803S801-A803 PolarHBondContact OG-N 3.49Å
802P33.5Very low31.1Very low122 Ų122130.5 Ų130.579%0.79276%0.757SS**  -125144.799.736.5-31000111.8
803A29.4Very low30.7Very low65 Ų65131 Ų13154%0.53776%0.76SS.*  cis71139.848.100000111.4S801S801-A803 PolarHBondContact OG-N 3.49Å
804P35.3Very low30.6Very low111 Ų111130.6 Ų130.672%0.72176%0.758SS**  cis-114.9161.238.2915.4000113.9
805F24.3Very low30.7Very low201 Ų201134 Ų13488%0.88276%0.763SS**  cis50.166.810.6-76.6-64.8000115.4T807F805-T807 PolarHBondContact O-N 3.26Å
806K24.7Very low30.4Very low200 Ų200134 Ų13487%0.8776%0.763SS**  trans-71.2123166.4-80.2-171.2172.9-172.90110
807T27.6Very low30.3Very low118 Ų118136.1 Ų136.172%0.72477%0.768SS**  trans-131.2111.9151.5-44.30000105.9F805F805-T807 PolarHBondContact O-N 3.26Å
808E25.9Very low30.2Very low183 Ų183137.9 Ų137.986%0.85578%0.778SS**  trans50.4144.9160.6-63.3168.5151.300118.1
809D26.3Very low30.2Very low146 Ų146137.2 Ų137.278%0.78177%0.774SS**  cis-156.4179.435.2-166.73.2000111.5
810I28.4Very low29.9Very low136 Ų136137.7 Ų137.770%0.69778%0.775SS**  trans70.577.1163.1-48.3173.4000116.5
811Q28.9Very low29.9Very low172 Ų172137.3 Ų137.380%0.80477%0.772SS**  -173.6104.5105-105.6179.913.600113
812T31.8Very low29.8Very low121 Ų121144 Ų14474%0.74278%0.782SS**SBendtrans46138.1146.856.20000121.7
813P33.3Very low29.8Very low124 Ų124144.9 Ų144.981%0.80579%0.785SS**  cis-106.6139.29.637.1-30.4000114.9
814T30.2Very low30Very low125 Ų125149.2 Ų149.277%0.76780%0.798SS**  trans-39.6131.8158.59.60000114.1
815L33.6Very low29.8Very low160 Ų160149 Ų14984%0.83880%0.799SS**  -167.5140.483.1-148.677.5000111.5
816A25.5Very low30.1Very low84 Ų84145.4 Ų145.469%0.69479%0.794SS**  trans-99.9175.7168.600000111
817Q29.5Very low30.2Very low192 Ų192143.9 Ų143.990%0.89780%0.795SS**  trans73.193.8-178.7-53.2-1760.400116.4
818N29.3Very low30.5Very low165 Ų165142.2 Ų142.288%0.88279%0.794SS**  -150.1165.6120.8-143.5-19.9000111.1
819T32.9Very low30.9Very low117 Ų117139.7 Ų139.772%0.71880%0.796SS**  trans-137.3146.7-168.5-36.40000111.9
820V35.1Very low31.2Very low120 Ų120136.3 Ų136.373%0.72780%0.795SS**  trans67122.6171.3-163.70000116.2
821P31.5Very low31.3Very low121 Ų121137.7 Ų137.779%0.78680%0.803SS**  trans-80.6132.416732.6-32.1000111.4
822R30.1Very low31.6Very low241 Ų241135 Ų13591%0.90980%0.799SS**  trans-144.3156.1158.3-114.7-176.8-178.4-170.8-0.1111.7
823T32.9Very low31.6Very low140 Ų140136 Ų13686%0.85980%0.798SS**  trans-63.2144-165.3-40.80000113.9S825T823-S825 PolarHBondContact O-N 3.29Å
824I32.9Very low31.4Very low157 Ų157136.3 Ų136.381%0.80579%0.793SS**  trans-81.3113.5173.6-64.6166.6000110.1
825S30.5Very low31.5Very low106 Ų106136.4 Ų136.474%0.74179%0.794SS**  trans168.2124.9147.3-78.10000109T823T823-S825 PolarHBondContact O-N 3.29Å
826T31Very low31.9Very low126 Ų126134.5 Ų134.577%0.77379%0.791SS**  cis-155142.1-732.50000109.8
827D28Very low32.1Very low167 Ų167134.8 Ų134.889%0.89379%0.793SS**  trans70.2162.1157.2-123.4-39.9000122
828A32.9Very low32.1Very low84 Ų84130.8 Ų130.869%0.69479%0.786SS**  trans62.879.2163.600000121.8
829S34.1Very low31.9Very low130 Ų130130.6 Ų130.691%0.90978%0.783SS**  19.9132.9129.5-52.40000123.4
830G33.5Very low31.6Very low74 Ų74129.7 Ų129.776%0.76379%0.788SS**  trans134.786.4133.500000122.3
831L30.9Very low31.2Very low165 Ų165129.2 Ų129.286%0.86479%0.79SS**  trans34.4128.6141.7-9167.5000124.6
832V33.8Very low31Very low117 Ų117129.6 Ų129.671%0.70979%0.793SS**  91.7106.4123.8166.50000123.4
833I31.3Very low30.9Very low140 Ų140123.7 Ų123.772%0.71879%0.788SS**  trans76115.6131.6-63.4-177.9000123.2
834N29.3Very low31.2Very low132 Ų132122.4 Ų122.471%0.70678%0.782SS**  trans56.1111.6143.2-61.72.5000124.7
835T33.9Very low31Very low127 Ų127119.2 Ų119.278%0.77978%0.779SS**  61.2150.6128.762.70000122.5
836P40.7Very low31.4Very low120 Ų120120 Ų12078%0.77978%0.782SS**  cis-139.4-176.4-36.640.3-23.2000114.5
837A30.3Very low31.4Very low90 Ų90119.9 Ų119.974%0.74479%0.786SS**  trans81.697.4156.700000121.7
838S28.6Very low31.7Very low107 Ų107116.3 Ų116.375%0.74878%0.78SS**  trans76.2118.9132.6-75.60000124.3
839I26.6Very low31.7Very low161 Ų161118.2 Ų118.283%0.82678%0.783SS**  trans75.993.9139.3-54164.4000117.9
840A26.4Very low31.4Very low99 Ų99118.7 Ų118.782%0.81878%0.775SS**  trans-149.1147.3139.100000109.2
841S26.5Very low31.4Very low110 Ų110121.1 Ų121.177%0.76978%0.775SS**PPolyproline II helixtrans-98.6145.2-174.7-51.60000112.5
842P27.7Very low31.5Very low129 Ų129117.1 Ų117.184%0.83877%0.766SS**PPolyproline II helixtrans-74.4127167.630.7-32.1000110.7
843S27Very low31.4Very low117 Ų117116.6 Ų116.682%0.81877%0.767SS**PPolyproline II helixtrans-96.9166.7173.5-103.10000111.7
844P39.1Very low31.5Very low113 Ų113116.2 Ų116.273%0.73477%0.772SS**  -132.6-164.4-129.543.3-27.3000114.9
845A29.1Very low31.7Very low89 Ų89115.9 Ų115.974%0.73678%0.775SS**  trans44.7115144.600000119.6
846P38.3Very low31.8Very low124 Ų124114 Ų11481%0.80577%0.772SS**  trans-87.9142.7171.735.1-32.8000112.9
847S31.7Very low31.7Very low122 Ų122113.9 Ų113.985%0.85377%0.771SS**  trans-166.1123.1136.4-81.80000110.2
848A34Very low32Very low92 Ų92116.3 Ų116.376%0.7678%0.776SS**  trans23.7121.3164.400000120.7
849T32.6Very low32.4Very low125 Ų125117.3 Ų117.377%0.76778%0.778SS**  trans17.7132.7136.150.50000118.6
850D28.3Very low33.1Very low139 Ų139115.5 Ų115.574%0.74378%0.777SS**  -158178.257.9-136.5-27.1000116.5
851V32.9Very low33.5Very low125 Ų125115.1 Ų115.176%0.75877%0.774SS**  trans-14.8149.5169.2-74.80000120.4
852A33.5Very low34.1Very low82 Ų82115.9 Ų115.968%0.67878%0.776SS**  cis-164.2135.2-3.500000114.1
853S32.2Very low34.4Very low105 Ų105115.8 Ų115.873%0.73477%0.773SS**  70.4107.4122.3-530000124.6
854T32.3Very low34.9Very low133 Ų133116.4 Ų116.482%0.81678%0.775SS**  trans49.8148.2131.6340000122.1
855T34.7Very low34.5Very low125 Ų125117.1 Ų117.177%0.76778%0.777SS**  cis-151.5131.515.617.80000109.4
856A35.3Very low34.6Very low88 Ų88119.8 Ų119.873%0.72779%0.785SS**  92.1169.495.900000114.3
857P39.5Very low34.3Very low117 Ų117119.5 Ų119.576%0.7678%0.781SS**  -137.6-168.3-101.737.6-16.1000117.1
858V35.8Very low34.3Very low140 Ų140119.9 Ų119.985%0.84878%0.778SS**  trans107.9127.6166.3-173.60000116.5
859T37.6Very low34.1Very low129 Ų129123 Ų12379%0.79178%0.782SS**  trans-82.1163.5-17614.30000113.7
860P39.6Very low33.9Very low123 Ų123120.8 Ų120.880%0.79978%0.784SS**  -144.2-175.65340.1-18.8000117.7
861A36.4Very low33.8Very low91 Ų91118 Ų11875%0.75279%0.788SS**  trans-81.6164.3-179.300000113.8
862P37.5Very low33.5Very low125 Ų125116.9 Ų116.981%0.81279%0.792SS**  -146.6174.192.540.5-25.3000115.9
863T34.6Very low33.2Very low128 Ų128117.6 Ų117.679%0.78580%0.798SS**  trans-97.4158.3172.1470000113.2
864P37.8Very low33.1Very low130 Ų130117.3 Ų117.384%0.84480%0.802SS**  trans-124.5164.4139.237.3-29.3000112.3
865T30.7Very low32.9Very low128 Ų128115.4 Ų115.479%0.78580%0.799SS**  trans-117.3151.3-174.248.10000113.1
866T31.5Very low32.5Very low145 Ų145114.8 Ų114.889%0.8980%0.8SS**  trans-156.2144.5148.9-24.50000111.9
867T31.7Very low32.3Very low118 Ų118117.4 Ų117.472%0.72481%0.807SS**  trans-82.2-178.5174.75.20000111.2
868T32.1Very low31.7Very low130 Ų130118.2 Ų118.280%0.79881%0.81SS**  cis-160.915833.1-30.70000112.4
869D29.2Very low31.5Very low158 Ų158118.6 Ų118.685%0.84581%0.813SS**  trans-69.9171.1175.6-67.5-76.4000116.2
870G28.6Very low31.1Very low78 Ų78121.2 Ų121.280%0.80482%0.816SS**  trans-134.7159.716800000113.6
871G26.7Very low30.5Very low81 Ų81123.6 Ų123.684%0.83582%0.822SS**  trans-113.1-162.9164.200000110.8
872A26.1Very low30Very low101 Ų101129.1 Ų129.184%0.83583%0.829SS**  cis-165.4-171.9-1.600000109.8
873A28.4Very low29.5Very low97 Ų97132.8 Ų132.880%0.80284%0.835SS**  trans77.6131.5171.800000117.3
874A28.5Very low29.1Very low99 Ų99135 Ų13582%0.81884%0.837SS**  cis95.6147.825.100000113.8
875A29.1Very low28.6Very low92 Ų92138.5 Ų138.576%0.7684%0.839SS**  cis-173.4165.5-11.300000108.7
876S26Very low28.6Very low113 Ų113144.2 Ų144.279%0.7985%0.846SS**  cis-169.1-178.6-19.5560000108.7
877T31.8Very low28.5Very low143 Ų143146.2 Ų146.288%0.87784%0.842SS**  trans-129.5163.1174.426.40000113.2
878T25.4Very low28.6Very low133 Ų133144.2 Ų144.282%0.81683%0.833SS**  trans-97.2133.8-170.450.70000114.7
879T32.8Very low28.8Very low148 Ų148144.7 Ų144.791%0.90883%0.831SS**  trans-153.5174.1155.99.70000112.6
880E29.1Very low29.7Very low185 Ų185142.7 Ų142.786%0.86482%0.815SS**  trans-82162-153.9-53.9-179.9111.600117.6K882E880-K882 PolarHBondContact O-N 2.87Å; E880-K882 VanDerWaalsContact O-N 3.16Å
881N26.2Very low31.6Very low172 Ų172145.3 Ų145.392%0.9280%0.8SS**SBendtrans-74.591.6166.4-83.5-48.1000112.1
882K25.3Very low34.3Very low208 Ų208146.8 Ų146.890%0.90478%0.784SS**  trans-170.3100.9154-112.6172.1-177175.80111E880E880-K882 PolarHBondContact O-N 2.87Å; E880-K882 VanDerWaalsContact O-N 3.16Å
883E28.7Very low37.4Very low201 Ų201142 Ų14294%0.93974%0.744SS**  trans-108.6143.8167.9-164.3170.7177.900111
884E26.2Very low40.5Very low174 Ų174138.3 Ų138.381%0.81371%0.711SS**  trans-82.8141.6-164-69.7-168.995.600114.7R886E884-R886 VanDerWaalsContact C-N 3.3Å; E884-R886 PolarHBondContact O-N 2.89Å
885K26.9Very low43.6Very low204 Ų204133.6 Ų133.689%0.88767%0.673SS**  trans-76.376.9177.1-168.4170.8-172.6165.50111.1K887K885-K887 PolarHBondContact O-N 3.43Å
886R29.7Very low46.8Very low249 Ų249130.6 Ų130.694%0.9464%0.643SS**  trans-47.8110.7170.5-79-174.9168-169.4-3.3110.1E884E884-R886 VanDerWaalsContact C-N 3.3Å; E884-R886 PolarHBondContact O-N 2.89Å
887K29.9Very low50Low187 Ų187125.3 Ų125.381%0.81361%0.606SS**  trans-106.5107-171.6-175.3-177.9178.7-172.90109.6K885 N889K885-K887 PolarHBondContact O-N 3.43Å; K887-N889 PolarHBondContact O-N 3.46Å
888S33.3Very low52.9Low75 Ų75122.4 Ų122.452%0.52458%0.584SS.*  trans-68.3131.3178.254.30000111.7K890S888-K890 PolarHBondContact O-N 2.89Å
889N36.5Very low55.9Low141 Ų141116.9 Ų116.975%0.75455%0.554SS**  trans-79.483.7173.9-92.3-10.4000110.1K887 R891K887-N889 PolarHBondContact O-N 3.46Å; N889-R891 PolarHBondContact O-N 2.97Å
890K48.5Very low58.4Low116 Ų116111.4 Ų111.450%0.50452%0.522SS..  trans-61.1124.1170.6-54.9-157.7-179-1430109.9S888 V978 D980S888-K890 PolarHBondContact O-N 2.89Å; K890-V978 HydrophobicContact CB-CG1 3.77Å; K890-V978 HydrophobicContact CD-CG1 3.92Å; K890-V978 HydrophobicContact CG-CG1 4.46Å; K890-D980 WeakPolarHBondContact CD-OD1 3.25Å; K890-D980 WeakPolarHBondContact CE-OD1 3.47Å; K890-D980 WeakPolarHBondContact CG-OD1 3.49Å; K890-D980 IonicContact NZ-OD1 3.55Å; K890-D980 PolarHBondContact NZ-OD1 3.34Å; K890-D980 IonicContact NZ-OD2 3.56Å; K890-D980 PolarHBondContact NZ-OD2 3.05Å
891R68.3Low60.8Low133 Ų133105.1 Ų105.150%0.50249%0.494SS..EExtended strand (participates in β ladder)trans-89.4129.4-180-59-177.9-172.2-177.32.7108.7N889 L979N889-R891 PolarHBondContact O-N 2.97Å; R891-L979 HydrophobicContact CB-CB 4.3Å; R891-L979 PolarHBondContact N-O 3.03Å; R891-L979 PolarHBondContact O-N 2.59Å
892K84Confident62.9Low111 Ų111102.2 Ų102.248%0.48348%0.475SS..EExtended strand (participates in β ladder)trans-111.2136.9-180-165.9179.9-171.8-168.60110.4V894 T977 V978K892-V894 HydrophobicContact CD-CG2 3.8Å; K892-V894 HydrophobicContact CG-CG2 3.88Å; K892-T977 WeakPolarHBondContact CA-O 3.34Å; K892-V978 HydrophobicContact CD-CG2 4.43Å; K892-V978 HydrophobicContact CG-CG2 4.07Å
893V89.8Confident64.3Low1 Ų197 Ų971%0.00646%0.464CS..EExtended strand (participates in β ladder)trans-118.3130.2168.6-178.20000107.3L913 H948 I951 V952 T977V893-L913 HydrophobicContact CG1-CD1 3.64Å; V893-H948 HydrophobicContact CG2-CB 4.43Å; V893-I951 HydrophobicContact CB-CG2 4.16Å; V893-I951 HydrophobicContact CG1-CG2 4.28Å; V893-V952 HydrophobicContact CG1-CG2 4.2Å; V893-T977 PolarHBondContact N-O 2.84Å; V893-T977 PolarHBondContact O-N 2.92Å
894V93.7Very high65.6Low19 Ų1995 Ų9512%0.11545%0.448CS..EExtended strand (participates in β ladder)trans-128.5134.1-178.9-175.30000109.5K892 L913 D914 K974 L975 A976K892-V894 HydrophobicContact CD-CG2 3.8Å; K892-V894 HydrophobicContact CG-CG2 3.88Å; V894-L913 CarbonylContact O-C 3.52Å; V894-L913 WeakPolarHBondContact O-CA 3.37Å; V894-D914 HydrophobicContact CB-CB 4.35Å; V894-D914 PolarHBondContact N-O 3.37Å; V894-D914 PolarHBondContact O-N 3.13Å; V894-K974 HydrophobicContact CG1-CD 4.37Å; V894-L975 CarbonylContact C-O 3.52Å; V894-L975 WeakPolarHBondContact CA-O 2.96Å; V894-A976 HydrophobicContact CG2-CB 4.36Å
895M94.4Very high67.1Low1 Ų194.3 Ų94.31%0.00545%0.45CS..EExtended strand (participates in β ladder)trans-120.3138.7172-163.5178.8-60.100109.7C911 R912 L913 V952 Q955 L956 V959 K974 L975M895-C911 HydrophobicContact CG-CB 4.34Å; M895-R912 CarbonylContact C-O 3.58Å; M895-R912 VanDerWaalsContact CA-O 3.31Å; M895-R912 WeakPolarHBondContact CA-O 3.33Å; M895-L913 HydrophobicContact CE-CD1 4.27Å; M895-V952 HydrophobicContact CE-CB 4.35Å; M895-V952 HydrophobicContact CE-CG1 3.84Å; M895-V952 HydrophobicContact CE-CG2 4.32Å; M895-Q955 HydrophobicContact CB-CB 4.47Å; M895-Q955 HydrophobicContact CE-CB 3.65Å; M895-Q955 HydrophobicContact SD-CB 4.15Å; M895-L956 HydrophobicContact CE-CG 4.03Å; M895-L956 HydrophobicContact SD-CD2 4.17Å; M895-L956 HydrophobicContact SD-CG 4.17Å; M895-V959 HydrophobicContact SD-CG2 4.02Å; M895-K974 CarbonylContact O-C 3.5Å; M895-K974 WeakPolarHBondContact O-CA 3.44Å; M895-L975 PolarHBondContact N-O 3.42Å; M895-L975 PolarHBondContact O-N 2.85Å
896E95.5Very high68.6Low28 Ų2891.6 Ų91.613%0.13144%0.438CS..EExtended strand (participates in β ladder)trans-131.5124.6-176.1179.1164.9-154.500110.1L898 C911 R912 T973 K974E896-L898 HydrophobicContact CG-CD2 4.21Å; E896-L898 PolarHBondContact O-N 3.46Å; E896-C911 CarbonylContact O-C 3.59Å; E896-C911 VanDerWaalsContact O-CA 3.26Å; E896-C911 WeakPolarHBondContact O-CA 3.46Å; E896-R912 PolarHBondContact N-O 3.22Å; E896-R912 PolarHBondContact O-N 3.33Å; E896-R912 IonicContact OE2-CZ 2.8Å; E896-R912 IonicContact OE2-NH1 2.85Å; E896-R912 PolarHBondContact OE2-NH1 3.04Å; E896-R912 IonicContact OE2-NH2 3.24Å; E896-R912 PolarHBondContact OE2-NH2 2.81Å; E896-T973 WeakPolarHBondContact CA-O 3.39Å; E896-K974 HydrophobicContact CB-CG 4.01Å; E896-K974 VanDerWaalsContact CD-CE 3.43Å; E896-K974 HydrophobicContact CG-CG 3.97Å; E896-K974 WeakPolarHBondContact OE1-CE 3.49Å; E896-K974 IonicContact OE1-NZ 3.05Å; E896-K974 PolarHBondContact OE1-NZ 3.07Å; E896-K974 WeakPolarHBondContact OE2-CE 3.45Å; E896-K974 IonicContact OE2-NZ 2.66Å; E896-K974 PolarHBondContact OE2-NZ 3.32Å
897I94.2Very high70.7Confident2 Ų281.6 Ų81.61%0.0141%0.409CS..EExtended strand (participates in β ladder)trans-78.5113.4175.4-56.9169.3000108.2V959 L962 I963 G970 V971 G972 T973I897-V959 HydrophobicContact CD1-CB 4.35Å; I897-V959 HydrophobicContact CD1-CG1 3.88Å; I897-V959 HydrophobicContact CD1-CG2 4.02Å; I897-V959 HydrophobicContact CG1-CG1 3.92Å; I897-V959 HydrophobicContact CG1-CG2 3.95Å; I897-L962 HydrophobicContact CD1-CD2 3.94Å; I897-I963 HydrophobicContact CD1-CD1 4.18Å; I897-I963 HydrophobicContact CD1-CG1 4.4Å; I897-I963 HydrophobicContact CG2-CD1 4.05Å; I897-G970 WeakPolarHBondContact CD1-O 3.01Å; I897-V971 HydrophobicContact CG2-CG2 4.45Å; I897-G972 PolarHBondContact O-N 2.85Å; I897-T973 PolarHBondContact N-O 2.82Å; I897-T973 VanDerWaalsContact N-O 3.15Å
898L91.6Very high73.5Confident82 Ų8274.3 Ų74.343%0.42938%0.379SS..EExtended strand (participates in β ladder)trans-85.7-27.6-178.2-61.2179.9000113.2E896 S910 R912 T921E896-L898 HydrophobicContact CG-CD2 4.21Å; E896-L898 PolarHBondContact O-N 3.46Å; L898-S910 PolarHBondContact N-O 3.39Å; L898-R912 HydrophobicContact CD1-CB 4.19Å; L898-R912 HydrophobicContact CD2-CB 4.31Å; L898-R912 HydrophobicContact CG-CB 4.34Å; L898-T921 HydrophobicContact CD1-CG2 3.82Å
899G89.7Confident76.3Confident18 Ų1870.7 Ų70.719%0.18635%0.354CS..EExtended strand (participates in β ladder)trans171.9161.6-177.900000113S910G899-S910 PolarHBondContact N-O 2.95Å; G899-S910 PolarHBondContact O-N 2.85Å
900C85.6Confident79Confident33 Ų3365.1 Ų65.122%0.22333%0.326CS..EExtended strand (participates in β ladder)trans-125.3122.6170.5-167.50000108.3L908C900-L908 WeakPolarHBondContact CA-O 3.29Å
901D79.6Confident81.2Confident53 Ų5359.6 Ų59.628%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-100.7107.9178.6-177.19.4000109.9S903 R904 A907 L908D901-S903 VanDerWaalsContact OD1-CB 3.22Å; D901-S903 WeakPolarHBondContact OD1-CB 3.36Å; D901-S903 PolarHBondContact OD1-N 2.82Å; D901-S903 PolarHBondContact OD1-OG 2.86Å; D901-S903 PolarHBondContact OD2-OG 2.85Å; D901-R904 IonicContact OD2-NE 2.61Å; D901-A907 WeakPolarHBondContact O-CA 3.4Å; D901-L908 PolarHBondContact N-O 3.25Å; D901-L908 PolarHBondContact O-N 3.49Å
902E69.6Low82.5Confident110 Ų11055.8 Ų55.851%0.51429%0.288SS..  trans-87.1-2177.2-65.1169.9175.200112.5R904 K968E902-R904 PolarHBondContact O-N 3.3Å; E902-K968 IonicContact OE1-NZ 2.66Å; E902-K968 PolarHBondContact OE1-NZ 3.2Å; E902-K968 IonicContact OE2-NZ 3.52Å; E902-K968 PolarHBondContact OE2-NZ 3.33Å
903S55.5Low83Confident98 Ų9850.5 Ų50.569%0.68527%0.265SS*.SBendtrans-80.55-171.672.40000115.4D901D901-S903 VanDerWaalsContact OD1-CB 3.22Å; D901-S903 WeakPolarHBondContact OD1-CB 3.36Å; D901-S903 PolarHBondContact OD1-N 2.82Å; D901-S903 PolarHBondContact OD1-OG 2.86Å; D901-S903 PolarHBondContact OD2-OG 2.85Å
904R55.6Low83.1Confident160 Ų16052.7 Ų52.760%0.60428%0.276SS*.SBendtrans-125.2159179-56.6-173.7-172.3-160.6-3.6110.3D901 E902 F906D901-R904 IonicContact OD2-NE 2.61Å; E902-R904 PolarHBondContact O-N 3.3Å; R904-F906 CarbonylContact O-C 3.51Å; R904-F906 PolarHBondContact O-N 3.39Å
905N56.7Low82.9Confident160 Ų16052.7 Ų52.786%0.85628%0.276SS*.SBendtrans-55.9-14.2-176.9-69.34.6000115.3
906F58.4Low82.2Confident146 Ų14656.2 Ų56.264%0.6430%0.301SS*.SBendtrans-131.7129.9168-45.2-74.6000107.6R904 L908 A925R904-F906 CarbonylContact O-C 3.51Å; R904-F906 PolarHBondContact O-N 3.39Å; F906-L908 PolarHBondContact O-N 2.83Å; F906-A925 HydrophobicContact CB-CB 4.42Å
907A74.8Confident81.4Confident40 Ų4059.3 Ų59.333%0.33132%0.315SS..  trans-63.4129.417800000110.4D901 P926D901-A907 WeakPolarHBondContact O-CA 3.4Å; A907-P926 VanDerWaalsContact O-CD 3.26Å; A907-P926 WeakPolarHBondContact O-CD 3.33Å
908L88.3Confident81Confident33 Ų3363 Ų6317%0.17333%0.332CS..EExtended strand (participates in β ladder)trans-107.7122.1-178.4-76.6172.2000111.3C900 D901 F906 A925C900-L908 WeakPolarHBondContact CA-O 3.29Å; D901-L908 PolarHBondContact N-O 3.25Å; D901-L908 PolarHBondContact O-N 3.49Å; F906-L908 PolarHBondContact O-N 2.83Å; L908-A925 HydrophobicContact CD2-CB 4.13Å
909V91.2Very high80.9Confident0 Ų062.7 Ų62.70%034%0.336CS..EExtended strand (participates in β ladder)trans-94.6126.5177.9177.30000109.3Q923 F924 P926 V959 I963V909-Q923 VanDerWaalsContact O-CA 3.23Å; V909-Q923 WeakPolarHBondContact O-CA 3.44Å; V909-F924 HydrophobicContact CB-CD1 4.31Å; V909-F924 HydrophobicContact CB-CE1 3.93Å; V909-F924 HydrophobicContact CB-CE2 4.34Å; V909-F924 HydrophobicContact CB-CZ 3.95Å; V909-F924 HydrophobicContact CG1-CD1 4.46Å; V909-F924 HydrophobicContact CG1-CE1 3.68Å; V909-F924 HydrophobicContact CG1-CZ 3.77Å; V909-F924 PolarHBondContact N-O 3.12Å; V909-F924 PolarHBondContact O-N 3.49Å; V909-P926 HydrophobicContact CG2-CB 4.49Å; V909-P926 HydrophobicContact CG2-CG 3.9Å; V909-V959 HydrophobicContact CG1-CG1 3.98Å; V909-I963 HydrophobicContact CB-CD1 4.1Å; V909-I963 HydrophobicContact CG1-CD1 3.39Å; V909-I963 HydrophobicContact CG2-CD1 3.49Å; V909-I963 VanDerWaalsContact CG2-CD1 3.49Å; V909-I963 HydrophobicContact CG2-CG2 4.03Å
910S93.2Very high81.1Confident24 Ų2463 Ų6317%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-100.9126.3173.8-56.30000110.3L898 G899 Q923L898-S910 PolarHBondContact N-O 3.39Å; G899-S910 PolarHBondContact N-O 2.95Å; G899-S910 PolarHBondContact O-N 2.85Å; S910-Q923 WeakPolarHBondContact OG-CG 3.42Å; S910-Q923 PolarHBondContact OG-NE2 3.06Å
911C95.1Very high81.6Confident0 Ų066 Ų660%035%0.351CS..EExtended strand (participates in β ladder)trans-126.7147.3176.1-74.40000112M895 E896 T921 F922M895-C911 HydrophobicContact CG-CB 4.34Å; E896-C911 CarbonylContact O-C 3.59Å; E896-C911 VanDerWaalsContact O-CA 3.26Å; E896-C911 WeakPolarHBondContact O-CA 3.46Å; C911-T921 CarbonylContact O-C 3.56Å; C911-T921 VanDerWaalsContact O-CA 3.28Å; C911-T921 WeakPolarHBondContact O-CA 3.28Å; C911-F922 HydrophobicContact CB-CE1 4.17Å; C911-F922 HydrophobicContact CB-CE2 4.23Å; C911-F922 HydrophobicContact CB-CZ 3.9Å; C911-F922 PolarHBondContact N-O 2.97Å; C911-F922 PolarHBondContact O-N 3.33Å
912R95.6Very high82.3Confident53 Ų5364.7 Ų64.720%0.234%0.343CS..EExtended strand (participates in β ladder)trans-102.5139.8158.9-163.4176.577.5-95-15109.7M895 E896 L898 D914 V920 T921M895-R912 CarbonylContact C-O 3.58Å; M895-R912 VanDerWaalsContact CA-O 3.31Å; M895-R912 WeakPolarHBondContact CA-O 3.33Å; E896-R912 PolarHBondContact N-O 3.22Å; E896-R912 PolarHBondContact O-N 3.33Å; E896-R912 IonicContact OE2-CZ 2.8Å; E896-R912 IonicContact OE2-NH1 2.85Å; E896-R912 PolarHBondContact OE2-NH1 3.04Å; E896-R912 IonicContact OE2-NH2 3.24Å; E896-R912 PolarHBondContact OE2-NH2 2.81Å; L898-R912 HydrophobicContact CD1-CB 4.19Å; L898-R912 HydrophobicContact CD2-CB 4.31Å; L898-R912 HydrophobicContact CG-CB 4.34Å; R912-D914 IonicContact CZ-OD1 2.65Å; R912-D914 IonicContact CZ-OD2 3.73Å; R912-D914 IonicContact NE-OD1 2.73Å; R912-D914 PolarHBondContact NE-OD1 3.32Å; R912-D914 IonicContact NE-OD2 2.67Å; R912-D914 PolarHBondContact NE-OD2 3.46Å; R912-D914 IonicContact NH2-OD1 2.87Å; R912-D914 IonicContact NH2-OD2 3.64Å; R912-D914 PolarHBondContact NH2-OD2 3.46Å; R912-V920 CarbonylContact C-O 3.56Å; R912-V920 WeakPolarHBondContact CA-O 3.4Å; R912-T921 HydrophobicContact CB-CG2 3.88Å; R912-T921 HydrophobicContact CG-CG2 3.71Å
913L95.2Very high83.5Confident0 Ų065.1 Ų65.10%035%0.345CS..EExtended strand (participates in β ladder)trans-122.8113.8174.9167.363.3000108.8V893 V894 M895 T915 S919 V920 F922 L938 L944 V952V893-L913 HydrophobicContact CG1-CD1 3.64Å; V894-L913 CarbonylContact O-C 3.52Å; V894-L913 WeakPolarHBondContact O-CA 3.37Å; M895-L913 HydrophobicContact CE-CD1 4.27Å; L913-T915 HydrophobicContact CD1-CG2 4.32Å; L913-T915 HydrophobicContact CG-CG2 4.19Å; L913-S919 WeakPolarHBondContact O-CA 3.35Å; L913-V920 HydrophobicContact CB-CG1 3.92Å; L913-V920 HydrophobicContact CD2-CG1 4.11Å; L913-V920 HydrophobicContact CG-CG1 4.25Å; L913-V920 PolarHBondContact N-O 2.85Å; L913-V920 PolarHBondContact O-N 3.33Å; L913-F922 HydrophobicContact CB-CE1 3.93Å; L913-F922 HydrophobicContact CD2-CE1 4.36Å; L913-L938 HydrophobicContact CD2-CD1 3.93Å; L913-L944 HydrophobicContact CD2-CD1 4.23Å; L913-L944 HydrophobicContact CD2-CD2 4.13Å; L913-L944 HydrophobicContact CD2-CG 4.22Å; L913-V952 HydrophobicContact CD1-CG2 3.82Å; L913-V952 HydrophobicContact CD2-CG1 4.29Å; L913-V952 HydrophobicContact CD2-CG2 3.93Å
914D92Very high85.3Confident46 Ų4660.6 Ų60.625%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-100.4117.1175.8-57.1-43.9000109.4V894 R912 S919V894-D914 HydrophobicContact CB-CB 4.35Å; V894-D914 PolarHBondContact N-O 3.37Å; V894-D914 PolarHBondContact O-N 3.13Å; R912-D914 IonicContact CZ-OD1 2.65Å; R912-D914 IonicContact CZ-OD2 3.73Å; R912-D914 IonicContact NE-OD1 2.73Å; R912-D914 PolarHBondContact NE-OD1 3.32Å; R912-D914 IonicContact NE-OD2 2.67Å; R912-D914 PolarHBondContact NE-OD2 3.46Å; R912-D914 IonicContact NH2-OD1 2.87Å; R912-D914 IonicContact NH2-OD2 3.64Å; R912-D914 PolarHBondContact NH2-OD2 3.46Å; D914-S919 PolarHBondContact OD1-OG 2.91Å
915T89.5Confident87Confident19 Ų1953.4 Ų53.412%0.11729%0.288CS..  trans-108.9179.6173.374.40000110.9L913 H917 K918 L944L913-T915 HydrophobicContact CD1-CG2 4.32Å; L913-T915 HydrophobicContact CG-CG2 4.19Å; T915-H917 PolarHBondContact O-N 3.1Å; T915-H917 VanDerWaalsContact O-N 3.16Å; T915-H917 PolarHBondContact OG1-CE1 2.94Å; T915-H917 PolarHBondContact OG1-N 2.89Å; T915-H917 PolarHBondContact OG1-ND1 2.9Å; T915-K918 PolarHBondContact N-O 3.31Å; T915-K918 PolarHBondContact OG1-N 3.48Å; T915-K918 PolarHBondContact OG1-O 3.14Å; T915-L944 HydrophobicContact CG2-CD2 3.79Å
916S79.6Confident88.4Confident75 Ų7546.7 Ų46.752%0.52425%0.253SS..SBendtrans-65-12.4176.5670000115.5
917H77.9Confident89.4Confident94 Ų9443.4 Ų43.444%0.43526%0.261SS..SBendtrans-138.4-23.6-169.454-74.7000113.9T915T915-H917 PolarHBondContact O-N 3.1Å; T915-H917 VanDerWaalsContact O-N 3.16Å; T915-H917 PolarHBondContact OG1-CE1 2.94Å; T915-H917 PolarHBondContact OG1-N 2.89Å; T915-H917 PolarHBondContact OG1-ND1 2.9Å
918K86.1Confident90Very high80 Ų8046 Ų4635%0.34827%0.272SS..  trans-142.7147.2178.8-145.7-175.9-159.4168.70111.3T915 E941 D942 C943T915-K918 PolarHBondContact N-O 3.31Å; T915-K918 PolarHBondContact OG1-N 3.48Å; T915-K918 PolarHBondContact OG1-O 3.14Å; K918-E941 PolarHBondContact NZ-O 2.83Å; K918-D942 VanDerWaalsContact CD-O 3.26Å; K918-D942 WeakPolarHBondContact CD-O 3.44Å; K918-D942 VanDerWaalsContact NZ-C 3.25Å; K918-D942 PolarHBondContact NZ-O 3.03Å; K918-C943 HydrophobicContact CD-CB 4.12Å; K918-C943 PolarHBondContact NZ-SG 3.11Å
919S90.7Very high90.1Very high74 Ų7447.6 Ų47.652%0.51728%0.281SS..EExtended strand (participates in β ladder)trans-111.4133.9164.7154.40000107.6L913 D914L913-S919 WeakPolarHBondContact O-CA 3.35Å; D914-S919 PolarHBondContact OD1-OG 2.91Å
920V93.7Very high90.1Very high25 Ų2554.3 Ų54.315%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-136.4139.9179.163.10000110.6R912 L913 F922 L938 C943R912-V920 CarbonylContact C-O 3.56Å; R912-V920 WeakPolarHBondContact CA-O 3.4Å; L913-V920 HydrophobicContact CB-CG1 3.92Å; L913-V920 HydrophobicContact CD2-CG1 4.11Å; L913-V920 HydrophobicContact CG-CG1 4.25Å; L913-V920 PolarHBondContact N-O 2.85Å; L913-V920 PolarHBondContact O-N 3.33Å; V920-F922 HydrophobicContact CG1-CD1 4.43Å; V920-L938 HydrophobicContact CG1-CD2 4.14Å; V920-L938 HydrophobicContact CG2-CD2 4.34Å; V920-C943 HydrophobicContact CB-CB 4.43Å; V920-C943 HydrophobicContact CG1-CB 4.13Å
921T95Very high90.1Very high95 Ų9554.8 Ų54.858%0.58331%0.313SS*.EExtended strand (participates in β ladder)trans-109131168.846.60000109.6L898 C911 R912L898-T921 HydrophobicContact CD1-CG2 3.82Å; C911-T921 CarbonylContact O-C 3.56Å; C911-T921 VanDerWaalsContact O-CA 3.28Å; C911-T921 WeakPolarHBondContact O-CA 3.28Å; R912-T921 HydrophobicContact CB-CG2 3.88Å; R912-T921 HydrophobicContact CG-CG2 3.71Å
922F94.9Very high90Very high27 Ų2757.4 Ų57.412%0.11833%0.331CS..EExtended strand (participates in β ladder)trans-139.8160.4-179.763.1-87.1000111.3C911 L913 V920 F924 I934 L938 L956C911-F922 HydrophobicContact CB-CE1 4.17Å; C911-F922 HydrophobicContact CB-CE2 4.23Å; C911-F922 HydrophobicContact CB-CZ 3.9Å; C911-F922 PolarHBondContact N-O 2.97Å; C911-F922 PolarHBondContact O-N 3.33Å; L913-F922 HydrophobicContact CB-CE1 3.93Å; L913-F922 HydrophobicContact CD2-CE1 4.36Å; V920-F922 HydrophobicContact CG1-CD1 4.43Å; F922-F924 HydrophobicContact CD2-CD1 4.01Å; F922-F924 AromaticContact CE2-CD1 3.67Å; F922-F924 HydrophobicContact CE2-CD1 3.67Å; F922-F924 AromaticContact CE2-CE1 3.98Å; F922-F924 HydrophobicContact CE2-CE1 3.98Å; F922-I934 HydrophobicContact CD2-CG2 4.1Å; F922-I934 HydrophobicContact CE2-CG2 3.76Å; F922-I934 HydrophobicContact CZ-CG2 4.37Å; F922-L938 HydrophobicContact CD1-CD1 4.13Å; F922-L938 HydrophobicContact CD1-CD2 4.32Å; F922-L938 HydrophobicContact CE1-CD1 3.88Å; F922-L938 HydrophobicContact CZ-CD1 4.14Å; F922-L956 HydrophobicContact CE2-CD2 3.95Å; F922-L956 HydrophobicContact CZ-CD2 4.04Å
923Q93.9Very high89.9Confident118 Ų11858.3 Ų58.355%0.55134%0.342SS*.EExtended strand (participates in β ladder)trans-118.3148.6173.2-77.8-178.4-12.400110.8V909 S910V909-Q923 VanDerWaalsContact O-CA 3.23Å; V909-Q923 WeakPolarHBondContact O-CA 3.44Å; S910-Q923 WeakPolarHBondContact OG-CG 3.42Å; S910-Q923 PolarHBondContact OG-NE2 3.06Å
924F94.1Very high89.8Confident4 Ų459.1 Ų59.12%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-152.3156.817469-82.2000110.7V909 F922 P926 D929 I934 L956 V959 I960V909-F924 HydrophobicContact CB-CD1 4.31Å; V909-F924 HydrophobicContact CB-CE1 3.93Å; V909-F924 HydrophobicContact CB-CE2 4.34Å; V909-F924 HydrophobicContact CB-CZ 3.95Å; V909-F924 HydrophobicContact CG1-CD1 4.46Å; V909-F924 HydrophobicContact CG1-CE1 3.68Å; V909-F924 HydrophobicContact CG1-CZ 3.77Å; V909-F924 PolarHBondContact N-O 3.12Å; V909-F924 PolarHBondContact O-N 3.49Å; F922-F924 HydrophobicContact CD2-CD1 4.01Å; F922-F924 AromaticContact CE2-CD1 3.67Å; F922-F924 HydrophobicContact CE2-CD1 3.67Å; F922-F924 AromaticContact CE2-CE1 3.98Å; F922-F924 HydrophobicContact CE2-CE1 3.98Å; F924-P926 HydrophobicContact CE2-CB 4.2Å; F924-D929 WeakPolarHBondContact CA-OD2 3.23Å; F924-D929 HydrophobicContact CB-CB 3.99Å; F924-D929 HydrophobicContact CD2-CB 4.47Å; F924-I934 HydrophobicContact CB-CD1 3.75Å; F924-I934 HydrophobicContact CB-CG1 4.45Å; F924-I934 HydrophobicContact CD1-CD1 4.3Å; F924-I934 HydrophobicContact CD2-CD1 3.75Å; F924-I934 HydrophobicContact CE2-CD1 4.42Å; F924-I934 HydrophobicContact CG-CD1 3.68Å; F924-L956 HydrophobicContact CD1-CD2 4.27Å; F924-L956 HydrophobicContact CE1-CD2 3.66Å; F924-L956 HydrophobicContact CE2-CD2 4.35Å; F924-L956 HydrophobicContact CZ-CD2 3.7Å; F924-V959 HydrophobicContact CE1-CG1 4.45Å; F924-V959 HydrophobicContact CZ-CG1 3.83Å; F924-I960 HydrophobicContact CE2-CD1 4.15Å; F924-I960 HydrophobicContact CE2-CG1 3.72Å; F924-I960 HydrophobicContact CZ-CG1 4.35Å
925A90.7Very high89.9Confident8 Ų856.9 Ų56.97%0.06633%0.334CS..  trans-99.8116.2173.900000109.8F906 L908 G927 T928 D929F906-A925 HydrophobicContact CB-CB 4.42Å; L908-A925 HydrophobicContact CD2-CB 4.13Å; A925-G927 PolarHBondContact O-N 3.1Å; A925-T928 WeakPolarHBondContact CB-OG1 3.22Å; A925-T928 PolarHBondContact O-N 2.87Å; A925-T928 PolarHBondContact O-OG1 2.91Å; A925-D929 PolarHBondContact N-OD2 2.66Å; A925-D929 PolarHBondContact O-N 2.88Å
926P87Confident90Very high19 Ų1959.9 Ų59.912%0.12335%0.352CS..THydrogen-bonded Turntrans-69.6-10.7-169.429.1-35.2000113.8A907 V909 F924 I960A907-P926 VanDerWaalsContact O-CD 3.26Å; A907-P926 WeakPolarHBondContact O-CD 3.33Å; V909-P926 HydrophobicContact CG2-CB 4.49Å; V909-P926 HydrophobicContact CG2-CG 3.9Å; F924-P926 HydrophobicContact CE2-CB 4.2Å; P926-I960 HydrophobicContact CB-CB 4.48Å; P926-I960 HydrophobicContact CB-CG1 3.94Å; P926-I960 HydrophobicContact CB-CG2 4.24Å
927G79.9Confident90.5Very high78 Ų7862.8 Ų62.880%0.80436%0.356SS*.THydrogen-bonded Turntrans-90.7-13.4172.900000115.2A925A925-G927 PolarHBondContact O-N 3.1Å
928T86.8Confident91.2Very high94 Ų9458.6 Ų58.658%0.57734%0.337SS*.THydrogen-bonded Turntrans-125.1-37.3-176.556.50000113.5A925A925-T928 WeakPolarHBondContact CB-OG1 3.22Å; A925-T928 PolarHBondContact O-N 2.87Å; A925-T928 PolarHBondContact O-OG1 2.91Å
929D90Very high91.5Very high66 Ų6656.9 Ų56.935%0.35333%0.331SS..  trans-89.9116.9-173.9-63.8-44.6000111.6F924 A925 I934F924-D929 WeakPolarHBondContact CA-OD2 3.23Å; F924-D929 HydrophobicContact CB-CB 3.99Å; F924-D929 HydrophobicContact CD2-CB 4.47Å; A925-D929 PolarHBondContact N-OD2 2.66Å; A925-D929 PolarHBondContact O-N 2.88Å; D929-I934 HydrophobicContact CB-CD1 3.94Å; D929-I934 HydrophobicContact CB-CG1 4.17Å
930K91.2Very high91.5Very high142 Ų14257.3 Ų57.362%0.61734%0.339SS*.  trans-79.6138.1179.7-63.2-179.2-178.9178.10110.9C932 T933 I934K930-C932 VanDerWaalsContact C-N 3.26Å; K930-C932 PolarHBondContact O-N 2.68Å; K930-C932 VanDerWaalsContact O-N 3.14Å; K930-T933 WeakPolarHBondContact O-CB 3.48Å; K930-T933 PolarHBondContact O-N 3.01Å; K930-I934 PolarHBondContact O-N 2.83Å; K930-I934 VanDerWaalsContact O-N 3.16Å
931P93.3Very high91.3Very high33 Ų3361.9 Ų61.921%0.21436%0.359CS..Hα-helixtrans-47.7-43177.4-34.137.8000115I934 A935 L956 I960P931-I934 PolarHBondContact O-N 3.32Å; P931-A935 WeakPolarHBondContact O-CB 3.33Å; P931-A935 PolarHBondContact O-N 3.2Å; P931-L956 HydrophobicContact CB-CB 3.8Å; P931-L956 HydrophobicContact CB-CD1 4.47Å; P931-L956 HydrophobicContact CG-CB 4.09Å; P931-I960 HydrophobicContact CG-CD1 3.73Å
932C92.5Very high91Very high56 Ų5663.3 Ų63.338%0.37836%0.363SS..Hα-helixtrans-65.7-37.4178.957.50000113.4K930 T936 E953K930-C932 VanDerWaalsContact C-N 3.26Å; K930-C932 PolarHBondContact O-N 2.68Å; K930-C932 VanDerWaalsContact O-N 3.14Å; C932-T936 VanDerWaalsContact O-CB 3.22Å; C932-T936 WeakPolarHBondContact O-CB 3.46Å; C932-T936 PolarHBondContact O-N 3.33Å; C932-T936 PolarHBondContact O-OG1 3.25Å; C932-E953 WeakPolarHBondContact CA-OE1 3.4Å; C932-E953 WeakPolarHBondContact CB-OE1 3.37Å
933T93.4Very high90.5Very high71 Ų7162.4 Ų62.444%0.43636%0.36SS..Hα-helixtrans-65.4-42.9175.3-51.20000110.8K930 T936 K937K930-T933 WeakPolarHBondContact O-CB 3.48Å; K930-T933 PolarHBondContact O-N 3.01Å; T933-T936 PolarHBondContact O-N 3.02Å; T933-K937 PolarHBondContact O-N 2.84Å
934I93.4Very high90.3Very high17 Ų1756.9 Ų56.99%0.08733%0.334CS..Hα-helixtrans-64.8-51177.7-57.9164.7000110F922 F924 D929 K930 P931 T936 K937 L938 L956F922-I934 HydrophobicContact CD2-CG2 4.1Å; F922-I934 HydrophobicContact CE2-CG2 3.76Å; F922-I934 HydrophobicContact CZ-CG2 4.37Å; F924-I934 HydrophobicContact CB-CD1 3.75Å; F924-I934 HydrophobicContact CB-CG1 4.45Å; F924-I934 HydrophobicContact CD1-CD1 4.3Å; F924-I934 HydrophobicContact CD2-CD1 3.75Å; F924-I934 HydrophobicContact CE2-CD1 4.42Å; F924-I934 HydrophobicContact CG-CD1 3.68Å; D929-I934 HydrophobicContact CB-CD1 3.94Å; D929-I934 HydrophobicContact CB-CG1 4.17Å; K930-I934 PolarHBondContact O-N 2.83Å; K930-I934 VanDerWaalsContact O-N 3.16Å; P931-I934 PolarHBondContact O-N 3.32Å; I934-T936 VanDerWaalsContact C-N 3.29Å; I934-T936 PolarHBondContact O-N 2.99Å; I934-K937 PolarHBondContact O-N 3.35Å; I934-L938 HydrophobicContact CG2-CD1 3.9Å; I934-L938 HydrophobicContact CG2-CG 4.43Å; I934-L938 WeakPolarHBondContact O-CG 3.38Å; I934-L938 PolarHBondContact O-N 2.91Å; I934-L956 HydrophobicContact CB-CD1 3.77Å; I934-L956 HydrophobicContact CD1-CD1 4.14Å; I934-L956 HydrophobicContact CD1-CD2 4.19Å; I934-L956 HydrophobicContact CG2-CD1 3.66Å
935A93.6Very high90Very high0 Ų060.4 Ų60.40%035%0.352CS..Hα-helixtrans-62.3-34.8179.400000112.7P931 L939 V949 V952 E953P931-A935 WeakPolarHBondContact O-CB 3.33Å; P931-A935 PolarHBondContact O-N 3.2Å; A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 PolarHBondContact O-N 3.01Å; A935-V949 HydrophobicContact CB-CG1 4.1Å; A935-V952 HydrophobicContact CB-CG1 4.09Å; A935-E953 HydrophobicContact CB-CG 3.6Å
936T91.7Very high89.7Confident81 Ų8168.2 Ų68.250%0.49739%0.385SS..Hα-helixtrans-70.1-40.4175.2-57.60000112.1C932 T933 I934 L939 A940C932-T936 VanDerWaalsContact O-CB 3.22Å; C932-T936 WeakPolarHBondContact O-CB 3.46Å; C932-T936 PolarHBondContact O-N 3.33Å; C932-T936 PolarHBondContact O-OG1 3.25Å; T933-T936 PolarHBondContact O-N 3.02Å; I934-T936 VanDerWaalsContact C-N 3.29Å; I934-T936 PolarHBondContact O-N 2.99Å; T936-L939 WeakPolarHBondContact O-CB 3.48Å; T936-L939 PolarHBondContact O-N 2.81Å; T936-A940 PolarHBondContact O-N 2.83Å
937K91.5Very high89.7Confident136 Ų13671.9 Ų71.959%0.59141%0.407SS*.Hα-helixtrans-62.9-46.1171.8-79.6-170.1172.9-171.50111.9T933 I934 L939 A940 E941T933-K937 PolarHBondContact O-N 2.84Å; I934-K937 PolarHBondContact O-N 3.35Å; K937-L939 PolarHBondContact O-N 3.26Å; K937-A940 PolarHBondContact O-N 2.81Å; K937-E941 PolarHBondContact O-N 2.73Å
938L93Very high90.1Very high7 Ų768.2 Ų68.24%0.03737%0.369CS..Hα-helixtrans-63.5-27.4176.8-69.1172.5000112.7L913 V920 F922 I934 C943 L944 V952L913-L938 HydrophobicContact CD2-CD1 3.93Å; V920-L938 HydrophobicContact CG1-CD2 4.14Å; V920-L938 HydrophobicContact CG2-CD2 4.34Å; F922-L938 HydrophobicContact CD1-CD1 4.13Å; F922-L938 HydrophobicContact CD1-CD2 4.32Å; F922-L938 HydrophobicContact CE1-CD1 3.88Å; F922-L938 HydrophobicContact CZ-CD1 4.14Å; I934-L938 HydrophobicContact CG2-CD1 3.9Å; I934-L938 HydrophobicContact CG2-CG 4.43Å; I934-L938 WeakPolarHBondContact O-CG 3.38Å; I934-L938 PolarHBondContact O-N 2.91Å; L938-C943 HydrophobicContact CB-CB 4.29Å; L938-C943 HydrophobicContact CD2-CB 4.05Å; L938-C943 CarbonylContact O-C 3.59Å; L938-C943 VanDerWaalsContact O-CA 3.25Å; L938-C943 WeakPolarHBondContact O-CA 3.29Å; L938-C943 WeakPolarHBondContact O-CB 3.45Å; L938-C943 PolarHBondContact O-N 3.16Å; L938-L944 HydrophobicContact CB-CD1 3.65Å; L938-L944 HydrophobicContact CB-CG 4.27Å; L938-L944 HydrophobicContact CD1-CD1 4.35Å; L938-L944 PolarHBondContact O-N 2.72Å; L938-V952 HydrophobicContact CD1-CG1 4.41Å
939L92.3Very high90.3Very high43 Ų4364.6 Ų64.623%0.22535%0.346CS..Hα-helixtrans-71.3-42.7168177.365.8000112A935 T936 K937 E941 D942 L944 K946 V949A935-L939 WeakPolarHBondContact O-CB 3.27Å; A935-L939 PolarHBondContact O-N 3.01Å; T936-L939 WeakPolarHBondContact O-CB 3.48Å; T936-L939 PolarHBondContact O-N 2.81Å; K937-L939 PolarHBondContact O-N 3.26Å; L939-E941 VanDerWaalsContact C-N 3.32Å; L939-E941 PolarHBondContact O-N 3.21Å; L939-D942 PolarHBondContact O-N 3.04Å; L939-L944 WeakPolarHBondContact CD1-O 3.33Å; L939-K946 HydrophobicContact CD1-CG 3.96Å; L939-K946 HydrophobicContact CD2-CG 3.87Å; L939-V949 HydrophobicContact CB-CG2 4.36Å; L939-V949 HydrophobicContact CD1-CG2 4.49Å; L939-V949 HydrophobicContact CD2-CG2 4Å
940A90.2Very high90.2Very high84 Ų8468.4 Ų68.469%0.69436%0.362SS*.Hα-helixtrans-69.4-25.4-178.600000113.9T936 K937 D942T936-A940 PolarHBondContact O-N 2.83Å; K937-A940 PolarHBondContact O-N 2.81Å; A940-D942 VanDerWaalsContact C-N 3.31Å
941E90Very high90.3Very high121 Ų12162 Ų6257%0.56533%0.334SS*.THydrogen-bonded Turntrans-92.118.9175.7-65.9174.1-163.300113K918 K937 L939 C943K918-E941 PolarHBondContact NZ-O 2.83Å; K937-E941 PolarHBondContact O-N 2.73Å; L939-E941 VanDerWaalsContact C-N 3.32Å; L939-E941 PolarHBondContact O-N 3.21Å; E941-C943 PolarHBondContact O-N 2.85Å; E941-C943 VanDerWaalsContact O-N 3.09Å; E941-C943 PolarHBondContact O-SG 2.9Å; E941-C943 VanDerWaalsContact O-SG 3.39Å
942D86.8Confident90.2Very high125 Ų12560.4 Ų60.467%0.66832%0.324SS*.THydrogen-bonded Turntrans48.235.8-174.4-74.8-41.9000113.1K918 L939 A940K918-D942 VanDerWaalsContact CD-O 3.26Å; K918-D942 WeakPolarHBondContact CD-O 3.44Å; K918-D942 VanDerWaalsContact NZ-C 3.25Å; K918-D942 PolarHBondContact NZ-O 3.03Å; L939-D942 PolarHBondContact O-N 3.04Å; A940-D942 VanDerWaalsContact C-N 3.31Å
943C86.3Confident90.3Very high7 Ų759.9 Ų59.95%0.04732%0.316CS..SBendtrans-94.5-11.7175.1-64.30000112.9K918 V920 L938 E941K918-C943 HydrophobicContact CD-CB 4.12Å; K918-C943 PolarHBondContact NZ-SG 3.11Å; V920-C943 HydrophobicContact CB-CB 4.43Å; V920-C943 HydrophobicContact CG1-CB 4.13Å; L938-C943 HydrophobicContact CB-CB 4.29Å; L938-C943 HydrophobicContact CD2-CB 4.05Å; L938-C943 CarbonylContact O-C 3.59Å; L938-C943 VanDerWaalsContact O-CA 3.25Å; L938-C943 WeakPolarHBondContact O-CA 3.29Å; L938-C943 WeakPolarHBondContact O-CB 3.45Å; L938-C943 PolarHBondContact O-N 3.16Å; E941-C943 PolarHBondContact O-N 2.85Å; E941-C943 VanDerWaalsContact O-N 3.09Å; E941-C943 PolarHBondContact O-SG 2.9Å; E941-C943 VanDerWaalsContact O-SG 3.39Å
944L88.5Confident90.3Very high3 Ų358.6 Ų58.62%0.01631%0.312CS..SBendtrans-138.6157.3175.4-77.3165000111.2L913 T915 L938 L939 H948 V952L913-L944 HydrophobicContact CD2-CD1 4.23Å; L913-L944 HydrophobicContact CD2-CD2 4.13Å; L913-L944 HydrophobicContact CD2-CG 4.22Å; T915-L944 HydrophobicContact CG2-CD2 3.79Å; L938-L944 HydrophobicContact CB-CD1 3.65Å; L938-L944 HydrophobicContact CB-CG 4.27Å; L938-L944 HydrophobicContact CD1-CD1 4.35Å; L938-L944 PolarHBondContact O-N 2.72Å; L939-L944 WeakPolarHBondContact CD1-O 3.33Å; L944-H948 HydrophobicContact CD2-CB 3.51Å; L944-V952 HydrophobicContact CD1-CB 3.95Å; L944-V952 HydrophobicContact CD1-CG1 3.94Å; L944-V952 HydrophobicContact CD1-CG2 3.8Å; L944-V952 HydrophobicContact CD2-CG2 3.62Å; L944-V952 HydrophobicContact CG-CG2 4.35Å
945L87.7Confident90.3Very high77 Ų7757.8 Ų57.840%0.40331%0.308SS..  trans-92.9153.1162.8-68.9167.1000109V947 H948L945-V947 PolarHBondContact O-N 2.61Å; L945-H948 WeakPolarHBondContact O-CB 3.41Å; L945-H948 PolarHBondContact O-N 3.1Å
946K85.7Confident90.3Very high173 Ų17357.8 Ų57.875%0.75231%0.308SS*.G310 helixtrans-49.2-37.3176.8-80.8-179.1171.71730113.7L939 H948 V949L939-K946 HydrophobicContact CD1-CG 3.96Å; L939-K946 HydrophobicContact CD2-CG 3.87Å; K946-H948 PolarHBondContact O-N 2.91Å; K946-V949 WeakPolarHBondContact O-CG2 3.43Å; K946-V949 PolarHBondContact O-N 3.03Å
947V85.4Confident90.3Very high96 Ų9655.3 Ų55.358%0.58230%0.299SS*.G310 helixtrans-63.5-23.6177.3174.50000113.5L945 L979L945-V947 PolarHBondContact O-N 2.61Å; V947-L979 HydrophobicContact CG1-CD1 3.98Å
948H89.3Confident90.3Very high1 Ų152.3 Ų52.31%0.00529%0.287CS..G310 helixtrans-93.4-8.3-177.8-57.3164.8000113.7V893 L944 L945 K946 I951 V952V893-H948 HydrophobicContact CG2-CB 4.43Å; L944-H948 HydrophobicContact CD2-CB 3.51Å; L945-H948 WeakPolarHBondContact O-CB 3.41Å; L945-H948 PolarHBondContact O-N 3.1Å; K946-H948 PolarHBondContact O-N 2.91Å; H948-I951 PolarHBondContact O-N 3.12Å; H948-V952 PolarHBondContact O-N 2.83Å
949V90.5Very high90.2Very high17 Ų1752 Ų5210%0.10329%0.286CS..Hα-helixtrans-57.5-58.1-173.1175.10000111.4A935 L939 K946 I951 V952 E953A935-V949 HydrophobicContact CB-CG1 4.1Å; L939-V949 HydrophobicContact CB-CG2 4.36Å; L939-V949 HydrophobicContact CD1-CG2 4.49Å; L939-V949 HydrophobicContact CD2-CG2 4Å; K946-V949 WeakPolarHBondContact O-CG2 3.43Å; K946-V949 PolarHBondContact O-N 3.03Å; V949-I951 PolarHBondContact O-N 2.69Å; V949-V952 PolarHBondContact O-N 3.43Å; V949-E953 HydrophobicContact CG1-CG 4.28Å; V949-E953 WeakPolarHBondContact O-CG 3.28Å; V949-E953 PolarHBondContact O-N 2.81Å
950H88.8Confident90.1Very high146 Ų14651.2 Ų51.268%0.67628%0.281SS*.Hα-helixtrans-62.5-25.7-178.9-63.4-40.7000114E953 A954H950-E953 WeakPolarHBondContact CA-OE2 3.38Å; H950-E953 IonicContact CE1-OE2 2.75Å; H950-E953 IonicContact CG-OE2 3.52Å; H950-E953 IonicContact ND1-OE2 3.44Å; H950-E953 PolarHBondContact ND1-OE2 2.8Å; H950-A954 WeakPolarHBondContact O-CB 3.33Å; H950-A954 PolarHBondContact O-N 3.24Å; H950-A954 VanDerWaalsContact O-N 3.1Å
951I91.5Very high89.9Confident7 Ų753.7 Ų53.74%0.03628%0.279CS..Hα-helixtrans-70.4-44.7173.7-63.4173.3000110.2V893 H948 V949 A954 Q955 T977 L979 P987V893-I951 HydrophobicContact CB-CG2 4.16Å; V893-I951 HydrophobicContact CG1-CG2 4.28Å; H948-I951 PolarHBondContact O-N 3.12Å; V949-I951 PolarHBondContact O-N 2.69Å; I951-A954 PolarHBondContact O-N 3.39Å; I951-Q955 HydrophobicContact CG2-CG 4.49Å; I951-Q955 WeakPolarHBondContact O-CB 3.43Å; I951-Q955 WeakPolarHBondContact O-CG 3.04Å; I951-Q955 PolarHBondContact O-N 3.09Å; I951-T977 HydrophobicContact CD1-CG2 4.15Å; I951-T977 HydrophobicContact CG1-CG2 4.31Å; I951-T977 HydrophobicContact CG2-CG2 3.82Å; I951-L979 HydrophobicContact CD1-CD1 3.64Å; I951-L979 HydrophobicContact CD1-CD2 3.96Å; I951-L979 HydrophobicContact CD1-CG 3.68Å; I951-P987 HydrophobicContact CG1-CG 4.48Å
952V93.1Very high89.8Confident0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-70.7-35.8178.2168.10000111.7V893 M895 L913 A935 L938 L944 H948 V949 L956V893-V952 HydrophobicContact CG1-CG2 4.2Å; M895-V952 HydrophobicContact CE-CB 4.35Å; M895-V952 HydrophobicContact CE-CG1 3.84Å; M895-V952 HydrophobicContact CE-CG2 4.32Å; L913-V952 HydrophobicContact CD1-CG2 3.82Å; L913-V952 HydrophobicContact CD2-CG1 4.29Å; L913-V952 HydrophobicContact CD2-CG2 3.93Å; A935-V952 HydrophobicContact CB-CG1 4.09Å; L938-V952 HydrophobicContact CD1-CG1 4.41Å; L944-V952 HydrophobicContact CD1-CB 3.95Å; L944-V952 HydrophobicContact CD1-CG1 3.94Å; L944-V952 HydrophobicContact CD1-CG2 3.8Å; L944-V952 HydrophobicContact CD2-CG2 3.62Å; L944-V952 HydrophobicContact CG-CG2 4.35Å; H948-V952 PolarHBondContact O-N 2.83Å; V949-V952 PolarHBondContact O-N 3.43Å; V952-L956 HydrophobicContact CG1-CD1 3.81Å; V952-L956 HydrophobicContact CG1-CG 4.4Å; V952-L956 VanDerWaalsContact O-CB 3.28Å; V952-L956 WeakPolarHBondContact O-CB 3.31Å; V952-L956 WeakPolarHBondContact O-CG 3.16Å; V952-L956 PolarHBondContact O-N 3.01Å
953E94.1Very high89.6Confident45 Ų4545.2 Ų45.221%0.2124%0.237CC..Hα-helixtrans-59.4-46171.1-70178.7135.800111.8C932 A935 V949 H950 L956 G957C932-E953 WeakPolarHBondContact CA-OE1 3.4Å; C932-E953 WeakPolarHBondContact CB-OE1 3.37Å; A935-E953 HydrophobicContact CB-CG 3.6Å; V949-E953 HydrophobicContact CG1-CG 4.28Å; V949-E953 WeakPolarHBondContact O-CG 3.28Å; V949-E953 PolarHBondContact O-N 2.81Å; H950-E953 WeakPolarHBondContact CA-OE2 3.38Å; H950-E953 IonicContact CE1-OE2 2.75Å; H950-E953 IonicContact CG-OE2 3.52Å; H950-E953 IonicContact ND1-OE2 3.44Å; H950-E953 PolarHBondContact ND1-OE2 2.8Å; E953-L956 PolarHBondContact O-N 3.34Å; E953-G957 PolarHBondContact O-N 3.05Å
954A92Very high89.5Confident44 Ų4450.1 Ų50.136%0.36426%0.262SS..Hα-helixtrans-68.1-43.4178.700000112.4H950 I951 L956 G957 E958 I989H950-A954 WeakPolarHBondContact O-CB 3.33Å; H950-A954 PolarHBondContact O-N 3.24Å; H950-A954 VanDerWaalsContact O-N 3.1Å; I951-A954 PolarHBondContact O-N 3.39Å; A954-L956 PolarHBondContact O-N 3.22Å; A954-G957 PolarHBondContact O-N 3.09Å; A954-G957 VanDerWaalsContact O-N 3.16Å; A954-E958 PolarHBondContact O-N 3.36Å; A954-I989 HydrophobicContact CB-CD1 3.93Å
955Q94.2Very high89.1Confident0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-62.4-41.2174.8-73.3178.1-300111.7M895 I951 G957 E958 V959 L975 T977 I989M895-Q955 HydrophobicContact CB-CB 4.47Å; M895-Q955 HydrophobicContact CE-CB 3.65Å; M895-Q955 HydrophobicContact SD-CB 4.15Å; I951-Q955 HydrophobicContact CG2-CG 4.49Å; I951-Q955 WeakPolarHBondContact O-CB 3.43Å; I951-Q955 WeakPolarHBondContact O-CG 3.04Å; I951-Q955 PolarHBondContact O-N 3.09Å; Q955-G957 VanDerWaalsContact C-N 3.32Å; Q955-G957 PolarHBondContact O-N 2.77Å; Q955-E958 PolarHBondContact O-N 2.73Å; Q955-V959 WeakPolarHBondContact O-CG2 3.41Å; Q955-V959 PolarHBondContact O-N 2.86Å; Q955-L975 HydrophobicContact CB-CD1 4.09Å; Q955-L975 HydrophobicContact CG-CB 4.17Å; Q955-L975 HydrophobicContact CG-CD1 4.36Å; Q955-L975 WeakPolarHBondContact O-CD1 3.37Å; Q955-T977 PolarHBondContact NE2-OG1 3.39Å; Q955-I989 HydrophobicContact CG-CD1 4.29Å
956L94.7Very high88.3Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-64-35.7173-81.4165.3000112.6M895 F922 F924 P931 I934 V952 E953 A954 V959 I960M895-L956 HydrophobicContact CE-CG 4.03Å; M895-L956 HydrophobicContact SD-CD2 4.17Å; M895-L956 HydrophobicContact SD-CG 4.17Å; F922-L956 HydrophobicContact CE2-CD2 3.95Å; F922-L956 HydrophobicContact CZ-CD2 4.04Å; F924-L956 HydrophobicContact CD1-CD2 4.27Å; F924-L956 HydrophobicContact CE1-CD2 3.66Å; F924-L956 HydrophobicContact CE2-CD2 4.35Å; F924-L956 HydrophobicContact CZ-CD2 3.7Å; P931-L956 HydrophobicContact CB-CB 3.8Å; P931-L956 HydrophobicContact CB-CD1 4.47Å; P931-L956 HydrophobicContact CG-CB 4.09Å; I934-L956 HydrophobicContact CB-CD1 3.77Å; I934-L956 HydrophobicContact CD1-CD1 4.14Å; I934-L956 HydrophobicContact CD1-CD2 4.19Å; I934-L956 HydrophobicContact CG2-CD1 3.66Å; V952-L956 HydrophobicContact CG1-CD1 3.81Å; V952-L956 HydrophobicContact CG1-CG 4.4Å; V952-L956 VanDerWaalsContact O-CB 3.28Å; V952-L956 WeakPolarHBondContact O-CB 3.31Å; V952-L956 WeakPolarHBondContact O-CG 3.16Å; V952-L956 PolarHBondContact O-N 3.01Å; E953-L956 PolarHBondContact O-N 3.34Å; A954-L956 PolarHBondContact O-N 3.22Å; L956-V959 PolarHBondContact O-N 3.45Å; L956-I960 VanDerWaalsContact O-CG1 3.32Å; L956-I960 WeakPolarHBondContact O-CG1 3.39Å; L956-I960 PolarHBondContact O-N 2.96Å
957G91.9Very high87.3Confident30 Ų3046.7 Ų46.731%0.30926%0.264SS..Hα-helixtrans-57.9-49.6171.800000112.3E953 A954 Q955 I960 Q961E953-G957 PolarHBondContact O-N 3.05Å; A954-G957 PolarHBondContact O-N 3.09Å; A954-G957 VanDerWaalsContact O-N 3.16Å; Q955-G957 VanDerWaalsContact C-N 3.32Å; Q955-G957 PolarHBondContact O-N 2.77Å; G957-I960 PolarHBondContact O-N 3Å; G957-Q961 WeakPolarHBondContact O-CB 3.3Å; G957-Q961 PolarHBondContact O-N 3.31Å
958E91Very high86.3Confident73 Ų7349.2 Ų49.234%0.34127%0.267SS..Hα-helixtrans-62.9-41.5174.5-79.1-168.4-177.600112.6A954 Q955 I960 Q961 L962 L975 I989A954-E958 PolarHBondContact O-N 3.36Å; Q955-E958 PolarHBondContact O-N 2.73Å; E958-I960 PolarHBondContact O-N 2.98Å; E958-Q961 PolarHBondContact O-N 3.01Å; E958-L962 VanDerWaalsContact O-CB 3.24Å; E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.37Å; E958-L975 HydrophobicContact CB-CD1 3.73Å; E958-L975 WeakPolarHBondContact OE2-CD2 3.3Å; E958-I989 HydrophobicContact CG-CD1 4.41Å; E958-I989 WeakPolarHBondContact OE2-CG2 3.47Å
959V90.2Very high85.3Confident1 Ų155.3 Ų55.31%0.00629%0.294CS..Hα-helixtrans-59.4-46.4176.5172.30000111.3M895 I897 V909 F924 Q955 L956 L962 I963 L975M895-V959 HydrophobicContact SD-CG2 4.02Å; I897-V959 HydrophobicContact CD1-CB 4.35Å; I897-V959 HydrophobicContact CD1-CG1 3.88Å; I897-V959 HydrophobicContact CD1-CG2 4.02Å; I897-V959 HydrophobicContact CG1-CG1 3.92Å; I897-V959 HydrophobicContact CG1-CG2 3.95Å; V909-V959 HydrophobicContact CG1-CG1 3.98Å; F924-V959 HydrophobicContact CE1-CG1 4.45Å; F924-V959 HydrophobicContact CZ-CG1 3.83Å; Q955-V959 WeakPolarHBondContact O-CG2 3.41Å; Q955-V959 PolarHBondContact O-N 2.86Å; L956-V959 PolarHBondContact O-N 3.45Å; V959-L962 PolarHBondContact O-N 3.16Å; V959-I963 HydrophobicContact CG1-CD1 3.77Å; V959-I963 WeakPolarHBondContact O-CB 3.21Å; V959-I963 WeakPolarHBondContact O-CG1 3.33Å; V959-I963 PolarHBondContact O-N 2.85Å; V959-L975 HydrophobicContact CG2-CD1 3.92Å
960I90.2Very high84.4Confident26 Ų2654.5 Ų54.513%0.13329%0.289CS..Hα-helixtrans-61.4-46.2176.6-70.6170.8000110.3F924 P926 P931 L956 G957 E958 L962 I963 N964F924-I960 HydrophobicContact CE2-CD1 4.15Å; F924-I960 HydrophobicContact CE2-CG1 3.72Å; F924-I960 HydrophobicContact CZ-CG1 4.35Å; P926-I960 HydrophobicContact CB-CB 4.48Å; P926-I960 HydrophobicContact CB-CG1 3.94Å; P926-I960 HydrophobicContact CB-CG2 4.24Å; P931-I960 HydrophobicContact CG-CD1 3.73Å; L956-I960 VanDerWaalsContact O-CG1 3.32Å; L956-I960 WeakPolarHBondContact O-CG1 3.39Å; L956-I960 PolarHBondContact O-N 2.96Å; G957-I960 PolarHBondContact O-N 3Å; E958-I960 PolarHBondContact O-N 2.98Å; I960-L962 PolarHBondContact O-N 2.78Å; I960-I963 PolarHBondContact O-N 3.29Å; I960-N964 WeakPolarHBondContact CG2-ND2 3.28Å; I960-N964 VanDerWaalsContact O-CB 3.23Å; I960-N964 WeakPolarHBondContact O-CB 3.16Å; I960-N964 PolarHBondContact O-N 2.9Å; I960-N964 PolarHBondContact O-ND2 2.81Å
961Q86.8Confident84.2Confident136 Ų13650.4 Ų50.464%0.63627%0.274SS*.Hα-helixtrans-65.2-39.3-179.3-169.9171.19.600112.4G957 E958 S965G957-Q961 WeakPolarHBondContact O-CB 3.3Å; G957-Q961 PolarHBondContact O-N 3.31Å; E958-Q961 PolarHBondContact O-N 3.01Å; Q961-S965 WeakPolarHBondContact O-CB 3.1Å; Q961-S965 PolarHBondContact O-N 3.41Å; Q961-S965 VanDerWaalsContact O-N 3.14Å; Q961-S965 PolarHBondContact O-OG 3.4Å
962L86.5Confident83.9Confident55 Ų5551.3 Ų51.329%0.28829%0.285SS..Hα-helixtrans-66.6-44.9178.9-171.466.4000111.6I897 E958 V959 I960 S965 D966 T973I897-L962 HydrophobicContact CD1-CD2 3.94Å; E958-L962 VanDerWaalsContact O-CB 3.24Å; E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.37Å; V959-L962 PolarHBondContact O-N 3.16Å; I960-L962 PolarHBondContact O-N 2.78Å; L962-S965 PolarHBondContact O-N 3.07Å; L962-D966 PolarHBondContact O-N 3.29Å; L962-T973 HydrophobicContact CD2-CG2 4.06Å
963I84.6Confident83.6Confident13 Ų1351.4 Ų51.47%0.06729%0.286CS..Hα-helixtrans-74.3-34.2-178.7-66.8176000111.7I897 V909 V959 I960 S965 G967I897-I963 HydrophobicContact CD1-CD1 4.18Å; I897-I963 HydrophobicContact CD1-CG1 4.4Å; I897-I963 HydrophobicContact CG2-CD1 4.05Å; V909-I963 HydrophobicContact CB-CD1 4.1Å; V909-I963 HydrophobicContact CG1-CD1 3.39Å; V909-I963 HydrophobicContact CG2-CD1 3.49Å; V909-I963 VanDerWaalsContact CG2-CD1 3.49Å; V909-I963 HydrophobicContact CG2-CG2 4.03Å; V959-I963 HydrophobicContact CG1-CD1 3.77Å; V959-I963 WeakPolarHBondContact O-CB 3.21Å; V959-I963 WeakPolarHBondContact O-CG1 3.33Å; V959-I963 PolarHBondContact O-N 2.85Å; I960-I963 PolarHBondContact O-N 3.29Å; I963-S965 PolarHBondContact O-N 2.97Å; I963-G967 VanDerWaalsContact O-CA 3.25Å; I963-G967 WeakPolarHBondContact O-CA 3.45Å; I963-G967 PolarHBondContact O-N 2.95Å
964N83.3Confident83.5Confident109 Ų10953.2 Ų53.258%0.58329%0.293SS*.Hα-helixtrans-70.1-16.1171.2-69.9-9.4000113.2I960I960-N964 WeakPolarHBondContact CG2-ND2 3.28Å; I960-N964 VanDerWaalsContact O-CB 3.23Å; I960-N964 WeakPolarHBondContact O-CB 3.16Å; I960-N964 PolarHBondContact O-N 2.9Å; I960-N964 PolarHBondContact O-ND2 2.81Å
965S80.7Confident83.4Confident87 Ų8751.4 Ų51.461%0.60828%0.277SS*.Hα-helixtrans-90.6-43.7176.5-58.70000112.5Q961 L962 I963Q961-S965 WeakPolarHBondContact O-CB 3.1Å; Q961-S965 PolarHBondContact O-N 3.41Å; Q961-S965 VanDerWaalsContact O-N 3.14Å; Q961-S965 PolarHBondContact O-OG 3.4Å; L962-S965 PolarHBondContact O-N 3.07Å; I963-S965 PolarHBondContact O-N 2.97Å
966D69.9Low83.1Confident74 Ų7452 Ų5240%0.39628%0.282SS..  trans-156.382-177.5-115.5-55.6000109.7L962 K968 K969 G970L962-D966 PolarHBondContact O-N 3.29Å; D966-K968 PolarHBondContact O-N 2.73Å; D966-K969 HydrophobicContact CB-CB 4.04Å; D966-K969 HydrophobicContact CB-CD 3.88Å; D966-K969 HydrophobicContact CB-CG 4.02Å; D966-K969 VanDerWaalsContact CG-NZ 3.31Å; D966-K969 PolarHBondContact O-N 3Å; D966-K969 WeakPolarHBondContact OD1-CE 3.43Å; D966-K969 IonicContact OD1-NZ 2.81Å; D966-K969 PolarHBondContact OD1-NZ 2.72Å; D966-K969 WeakPolarHBondContact OD2-CD 3.4Å; D966-K969 WeakPolarHBondContact OD2-CE 3.19Å; D966-K969 IonicContact OD2-NZ 3.75Å; D966-K969 PolarHBondContact OD2-NZ 2.85Å; D966-G970 PolarHBondContact O-N 2.81Å
967G65.3Low82.6Confident20 Ų2052.1 Ų52.121%0.20628%0.283CS..THydrogen-bonded Turntrans-55.2-22-168.100000116.4I963I963-G967 VanDerWaalsContact O-CA 3.25Å; I963-G967 WeakPolarHBondContact O-CA 3.45Å; I963-G967 PolarHBondContact O-N 2.95Å
968K64.2Low82Confident149 Ų14954.2 Ų54.265%0.64829%0.289SS*.THydrogen-bonded Turntrans-97.4-12.3176.6-67-175.4174.266.90115E902 D966E902-K968 IonicContact OE1-NZ 2.66Å; E902-K968 PolarHBondContact OE1-NZ 3.2Å; E902-K968 IonicContact OE2-NZ 3.52Å; E902-K968 PolarHBondContact OE2-NZ 3.33Å; D966-K968 PolarHBondContact O-N 2.73Å
969K67.3Low80.8Confident129 Ų12952.9 Ų52.956%0.56128%0.284SS*.THydrogen-bonded Turntrans-91.7-18.8176.8-59-179.5-170.5153.50113.5D966 M993D966-K969 HydrophobicContact CB-CB 4.04Å; D966-K969 HydrophobicContact CB-CD 3.88Å; D966-K969 HydrophobicContact CB-CG 4.02Å; D966-K969 VanDerWaalsContact CG-NZ 3.31Å; D966-K969 PolarHBondContact O-N 3Å; D966-K969 WeakPolarHBondContact OD1-CE 3.43Å; D966-K969 IonicContact OD1-NZ 2.81Å; D966-K969 PolarHBondContact OD1-NZ 2.72Å; D966-K969 WeakPolarHBondContact OD2-CD 3.4Å; D966-K969 WeakPolarHBondContact OD2-CE 3.19Å; D966-K969 IonicContact OD2-NZ 3.75Å; D966-K969 PolarHBondContact OD2-NZ 2.85Å; K969-M993 WeakPolarHBondContact O-CE 3.32Å
970G72.1Confident79.2Confident0 Ų056 Ų560%030%0.301CS..SBendtrans-69.6-29179.200000114.2I897 D966 G972 T973I897-G970 WeakPolarHBondContact CD1-O 3.01Å; D966-G970 PolarHBondContact O-N 2.81Å; G970-G972 PolarHBondContact O-N 2.95Å; G970-T973 WeakPolarHBondContact O-CB 3.19Å; G970-T973 PolarHBondContact O-N 2.96Å; G970-T973 VanDerWaalsContact O-N 3.07Å; G970-T973 PolarHBondContact O-OG1 2.8Å
971V84.6Confident77.1Confident61 Ų6159.6 Ų59.637%0.3733%0.326SS..THydrogen-bonded Turntrans-60.9134.1-176.1-1760000111.3I897 T973I897-V971 HydrophobicContact CG2-CG2 4.45Å; V971-T973 VanDerWaalsContact C-N 3.3Å; V971-T973 PolarHBondContact O-N 2.87Å
972G84.9Confident75.1Confident26 Ų2660.6 Ų60.627%0.26834%0.336SS..THydrogen-bonded Turntrans84.2-8.5-174.300000115.1I897 G970 K974I897-G972 PolarHBondContact O-N 2.85Å; G970-G972 PolarHBondContact O-N 2.95Å; G972-K974 PolarHBondContact O-N 2.74Å
973T87Confident72.9Confident2 Ų261.5 Ų61.51%0.01235%0.347CS..PPolyproline II helixtrans-67.4129.7177.3-54.50000110.7E896 I897 L962 G970 V971 L975 M993E896-T973 WeakPolarHBondContact CA-O 3.39Å; I897-T973 PolarHBondContact N-O 2.82Å; I897-T973 VanDerWaalsContact N-O 3.15Å; L962-T973 HydrophobicContact CD2-CG2 4.06Å; G970-T973 WeakPolarHBondContact O-CB 3.19Å; G970-T973 PolarHBondContact O-N 2.96Å; G970-T973 VanDerWaalsContact O-N 3.07Å; G970-T973 PolarHBondContact O-OG1 2.8Å; V971-T973 VanDerWaalsContact C-N 3.3Å; V971-T973 PolarHBondContact O-N 2.87Å; T973-L975 HydrophobicContact CG2-CD2 4.24Å; T973-M993 HydrophobicContact CG2-CG 4.29Å
974K91.4Very high70.7Confident83 Ų8368.1 Ų68.136%0.36139%0.388SS..EExtended strand (participates in β ladder)trans-103.4120.4169.9-78.5-172.7172.673.50110.7V894 M895 E896 G972 V992V894-K974 HydrophobicContact CG1-CD 4.37Å; M895-K974 CarbonylContact O-C 3.5Å; M895-K974 WeakPolarHBondContact O-CA 3.44Å; E896-K974 HydrophobicContact CB-CG 4.01Å; E896-K974 VanDerWaalsContact CD-CE 3.43Å; E896-K974 HydrophobicContact CG-CG 3.97Å; E896-K974 WeakPolarHBondContact OE1-CE 3.49Å; E896-K974 IonicContact OE1-NZ 3.05Å; E896-K974 PolarHBondContact OE1-NZ 3.07Å; E896-K974 WeakPolarHBondContact OE2-CE 3.45Å; E896-K974 IonicContact OE2-NZ 2.66Å; E896-K974 PolarHBondContact OE2-NZ 3.32Å; G972-K974 PolarHBondContact O-N 2.74Å; K974-V992 PolarHBondContact N-O 2.75Å; K974-V992 PolarHBondContact O-N 3.05Å
975L89.9Confident68.3Low5 Ų570.6 Ų70.63%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-92.5130.4166.1-56.7-175.9000108.8V894 M895 Q955 E958 V959 T973 I989 A991V894-L975 CarbonylContact C-O 3.52Å; V894-L975 WeakPolarHBondContact CA-O 2.96Å; M895-L975 PolarHBondContact N-O 3.42Å; M895-L975 PolarHBondContact O-N 2.85Å; Q955-L975 HydrophobicContact CB-CD1 4.09Å; Q955-L975 HydrophobicContact CG-CB 4.17Å; Q955-L975 HydrophobicContact CG-CD1 4.36Å; Q955-L975 WeakPolarHBondContact O-CD1 3.37Å; E958-L975 HydrophobicContact CB-CD1 3.73Å; E958-L975 WeakPolarHBondContact OE2-CD2 3.3Å; V959-L975 HydrophobicContact CG2-CD1 3.92Å; T973-L975 HydrophobicContact CG2-CD2 4.24Å; L975-I989 HydrophobicContact CB-CG2 4.19Å; L975-I989 HydrophobicContact CD2-CG2 4.33Å; L975-A991 HydrophobicContact CD2-CB 3.66Å
976A89.4Confident66.3Low13 Ų1371.9 Ų71.911%0.10740%0.403CS..EExtended strand (participates in β ladder)trans-130.2133.9179.900000111.6V894 T990V894-A976 HydrophobicContact CG2-CB 4.36Å; A976-T990 PolarHBondContact N-O 2.9Å; A976-T990 PolarHBondContact O-N 3.33Å
977T84.7Confident65.4Low2 Ų271.7 Ų71.71%0.01241%0.405CS..EExtended strand (participates in β ladder)trans-128.5137.6175.1-560000109.4K892 V893 I951 Q955 P987K892-T977 WeakPolarHBondContact CA-O 3.34Å; V893-T977 PolarHBondContact N-O 2.84Å; V893-T977 PolarHBondContact O-N 2.92Å; I951-T977 HydrophobicContact CD1-CG2 4.15Å; I951-T977 HydrophobicContact CG1-CG2 4.31Å; I951-T977 HydrophobicContact CG2-CG2 3.82Å; Q955-T977 PolarHBondContact NE2-OG1 3.39Å; T977-P987 HydrophobicContact CG2-CB 3.68Å
978V77.3Confident64.6Low74 Ų7476.4 Ų76.445%0.44843%0.43SS..EExtended strand (participates in β ladder)trans-119.7121-179.9-179.30000108.9K890 K892K890-V978 HydrophobicContact CB-CG1 3.77Å; K890-V978 HydrophobicContact CD-CG1 3.92Å; K890-V978 HydrophobicContact CG-CG1 4.46Å; K892-V978 HydrophobicContact CD-CG2 4.43Å; K892-V978 HydrophobicContact CG-CG2 4.07Å
979L66.1Low64.4Low45 Ų4571.1 Ų71.124%0.23641%0.409CS..EExtended strand (participates in β ladder)trans-86116.5172.3-80.5165.4000110.3R891 V947 I951R891-L979 HydrophobicContact CB-CB 4.3Å; R891-L979 PolarHBondContact N-O 3.03Å; R891-L979 PolarHBondContact O-N 2.59Å; V947-L979 HydrophobicContact CG1-CD1 3.98Å; I951-L979 HydrophobicContact CD1-CD1 3.64Å; I951-L979 HydrophobicContact CD1-CD2 3.96Å; I951-L979 HydrophobicContact CD1-CG 3.68Å
980D57Low64.2Low67 Ų6768.9 Ų68.936%0.35841%0.406SS..  trans-90.3129.7154.1-83.3-56000109.1K890 N982K890-D980 WeakPolarHBondContact CD-OD1 3.25Å; K890-D980 WeakPolarHBondContact CE-OD1 3.47Å; K890-D980 WeakPolarHBondContact CG-OD1 3.49Å; K890-D980 IonicContact NZ-OD1 3.55Å; K890-D980 PolarHBondContact NZ-OD1 3.34Å; K890-D980 IonicContact NZ-OD2 3.56Å; K890-D980 PolarHBondContact NZ-OD2 3.05Å; D980-N982 PolarHBondContact O-N 3.21Å; D980-N982 VanDerWaalsContact O-N 3.1Å
981P46.7Very low63.2Low101 Ų10171.7 Ų71.766%0.65643%0.429SS*.THydrogen-bonded Turntrans-73.8-0.5-170.229.5-36.3000115.5
982N43.6Very low61.3Low157 Ų15773 Ų7384%0.8444%0.437SS*.THydrogen-bonded Turntrans-125.920.3-172.1-76.153.2000113.4D980D980-N982 PolarHBondContact O-N 3.21Å; D980-N982 VanDerWaalsContact O-N 3.1Å
983S41.9Very low59.1Low75 Ų7576.7 Ų76.752%0.52445%0.449SS..  trans-110.4141.3174.6-171.10000112.1E985S983-E985 PolarHBondContact OG-N 2.95Å
984T37Very low56.5Low152 Ų15280.3 Ų80.393%0.93347%0.472SS*.  trans-102.53.6174.8-28.20000112.3
985E34.6Very low53.4Low161 Ų16186.2 Ų86.275%0.75250%0.498SS*.SBendtrans-83151.6176.3-70.3-167.7143.300112.2S983S983-E985 PolarHBondContact OG-N 2.95Å
986P38.6Very low50.7Low114 Ų11493.5 Ų93.574%0.7454%0.537SS*.PPolyproline II helixtrans-63.6144.3179.126.6-35.1000112T988P986-T988 PolarHBondContact O-N 2.99Å
987P49.2Very low47.8Very low70 Ų7098.7 Ų98.746%0.45557%0.573SS.*PPolyproline II helixtrans-68.3116.3-172.526.4-34.3000112.3I951 T977 I989I951-P987 HydrophobicContact CG1-CG 4.48Å; T977-P987 HydrophobicContact CG2-CB 3.68Å; P987-I989 PolarHBondContact O-N 3.44Å
988T49.1Very low45.1Very low119 Ų119104.1 Ų104.173%0.7361%0.61SS**  trans-65.1115172.5-40.80000110.4P986P986-T988 PolarHBondContact O-N 2.99Å
989I60.4Low42.7Very low38 Ų38105 Ų10520%0.19563%0.625CS.*  trans-78.6135.5168.9-55.5177.1000108.1A954 Q955 E958 L975 P987A954-I989 HydrophobicContact CB-CD1 3.93Å; Q955-I989 HydrophobicContact CG-CD1 4.29Å; E958-I989 HydrophobicContact CG-CD1 4.41Å; E958-I989 WeakPolarHBondContact OE2-CG2 3.47Å; L975-I989 HydrophobicContact CB-CG2 4.19Å; L975-I989 HydrophobicContact CD2-CG2 4.33Å; P987-I989 PolarHBondContact O-N 3.44Å
990T62.2Low40.9Very low81 Ų81107.5 Ų107.550%0.49765%0.653SS.*EExtended strand (participates in β ladder)trans-116.9111.1171.5-48.40000109.2A976A976-T990 PolarHBondContact N-O 2.9Å; A976-T990 PolarHBondContact O-N 3.33Å
991A51.8Low39.6Very low60 Ų60111.6 Ų111.650%0.49668%0.68SS.*EExtended strand (participates in β ladder)trans-80.6135.8171.100000110.7L975L975-A991 HydrophobicContact CD2-CB 3.66Å
992V45Very low38.7Very low88 Ų88110.8 Ų110.853%0.53368%0.682SS.*EExtended strand (participates in β ladder)trans-128.5115.7171-176.40000108.2K974K974-V992 PolarHBondContact N-O 2.75Å; K974-V992 PolarHBondContact O-N 3.05Å
993M38.8Very low38.1Very low103 Ų103108.5 Ų108.551%0.50768%0.678SS.*  trans-90149.2172.7-58.9-166.183.800110.4K969 T973K969-M993 WeakPolarHBondContact O-CE 3.32Å; T973-M993 HydrophobicContact CG2-CG 4.29Å
994P32.4Very low37.4Very low78 Ų78111.5 Ų111.551%0.50669%0.688SS.*  trans-64.1145.8171.427.9-33.9000110.9
995K26.8Very low37Very low208 Ų208110.6 Ų110.690%0.90468%0.683SS**  trans-109.9113.3168.5-90.6-167.8173.3-171.40108.8
996D32.1Very low36.7Very low157 Ų157111.6 Ų111.684%0.8469%0.685SS**  trans-112154.7159.5-73.5-58.5000110.1
997S29.4Very low36.3Very low123 Ų123112.2 Ų112.286%0.8669%0.689SS**  trans-96.6160.7178.8-54.20000109.3
998S27.5Very low35.2Very low115 Ų115118 Ų11880%0.80471%0.707SS**  cis-148.5174.511.563.60000108.8
999A26.6Very low34.2Very low93 Ų93119.9 Ų119.977%0.76971%0.711SS**  cis-158.615521.400000112.4
1000A29Very low32.6Very low98 Ų98125.2 Ų125.281%0.8174%0.735SS**  trans-170.7124.914900000109.5
1001T29.2Very low31.1Very low153 Ų153128.3 Ų128.394%0.93975%0.747SS**  trans-73.5145.8176.4-54.40000110.8
1002A28Very low29.9Very low83 Ų83132 Ų13269%0.68675%0.754SS**  trans-106.7174.9-168.900000114.7
1003S30.5Very low29.2Very low109 Ų109137.8 Ų137.876%0.76277%0.772SS**  trans77.6148.1179.787.20000114.9
1004N26.8Very low28.7Very low138 Ų138137.7 Ų137.774%0.73878%0.777SS**  cis-145.2149.40.9-128.8-33.2000108.3
1005T29.9Very low29Very low134 Ų134138.7 Ų138.782%0.82278%0.784SS**  -172.7157.187.128.60000112.7
1006K27.7Very low29.4Very low182 Ų182135 Ų13579%0.79178%0.781SS**  trans-89.2149.9169.7-173.8-176.1-177.5-177.20109.6
1007P29.3Very low29.3Very low126 Ų126133.4 Ų133.482%0.81878%0.777SS**  -141.2158.3123.136.8-24.8000114.6
1008K26.1Very low29.3Very low192 Ų192138.8 Ų138.884%0.83578%0.778SS**  trans-147.9118156.3176-178.7175.9-179.80108.3
1009I29.7Very low29.3Very low158 Ų158141 Ų14181%0.8178%0.781SS**  trans176150164.4-96.6149.3000105.3
1010E26.5Very low29.5Very low151 Ų151140.3 Ų140.371%0.70678%0.775SS**  cis-170.3150.7-35.2-158171.9150.700106.8
1011I30.7Very low29.7Very low146 Ų146140.7 Ų140.775%0.74977%0.772SS**  trans63.3149.4166.2-77.4151.5000116.9
1012E25.9Very low29.8Very low136 Ų136141.5 Ų141.564%0.63677%0.765SS**  cis-163.1138.5-36.4-174.7-173.6162.600107.5T1014E1012-T1014 HydrophobicContact CG-CG2 4.45Å; E1012-T1014 PolarHBondContact OE1-OG1 3Å; E1012-T1014 VanDerWaalsContact OE1-OG1 3.13Å
1013K29.3Very low29.9Very low211 Ų211145.6 Ų145.692%0.91777%0.77SS**  trans-157.4113.4143.4-121.3170.3-175.9176.30113
1014T30.2Very low30.5Very low100 Ų100144.7 Ų144.761%0.61376%0.762SS**  trans-95.5-176.9175.444.40000110.1E1012E1012-T1014 HydrophobicContact CG-CG2 4.45Å; E1012-T1014 PolarHBondContact OE1-OG1 3Å; E1012-T1014 VanDerWaalsContact OE1-OG1 3.13Å
1015P38.4Very low30.8Very low100 Ų100144.6 Ų144.665%0.64976%0.761SS**  cis-121-141.9-7.131.9-7.3000110.5
1016P34.7Very low30.8Very low131 Ų131146.1 Ų146.185%0.85176%0.764SS**  -116.7152.65538.9-33.2000115
1017T29.7Very low30.9Very low122 Ų122142.2 Ų142.275%0.74876%0.755SS**  trans-91.3159.5-176.4-52.70000111.3
1018R29Very low30.9Very low236 Ų236144.7 Ų144.789%0.89176%0.756SS**  trans-43.5145.7167.7-82174.6161.2156.2-8.5114.2
1019D27.5Very low31Very low162 Ų162141.9 Ų141.987%0.86676%0.755SS**  trans-94.7168141.4-149.8-25.7000109.7
1020A32.5Very low31Very low78 Ų78139.9 Ų139.965%0.64575%0.75SS**  trans-96150.1-152.400000116.4
1021S31.3Very low31.2Very low106 Ų106139.9 Ų139.974%0.74176%0.755SS**  177.5147109.8-77.60000114.3
1022Q31.6Very low31.2Very low170 Ų170139 Ų13979%0.79476%0.756SS**  trans49.6108152.7-71.3175-31.800121.7
1023E31.3Very low31.2Very low170 Ų170144 Ų14479%0.79477%0.769SS**  48.9152107.8-69.8-142.3105.500123
1024P43Very low31Very low89 Ų89143.2 Ų143.258%0.57877%0.766SS**  cis-141.8157-4038.2-21.2000115.2
1025N32.7Very low30.9Very low137 Ų137144.3 Ų144.373%0.73377%0.772SS**  trans39.6136.3140-57.2-23.3000122.6V1027N1025-V1027 HydrophobicContact CB-CG2 4.03Å
1026N30.3Very low30.5Very low166 Ų166143.8 Ų143.889%0.88877%0.771SS**  -123.4127.1117-169.81.7000108.5
1027V30.4Very low30.4Very low99 Ų99145 Ų14560%0.677%0.765SS**  trans-141140.8-172.1178.40000111.4N1025N1025-V1027 HydrophobicContact CB-CG2 4.03Å
1028Q28.8Very low30.4Very low179 Ų179146.5 Ų146.584%0.83676%0.763SS**  trans-46.8150.8176-53.1163.5-8.200115.3
1029V27.2Very low30.4Very low132 Ų132140.6 Ų140.680%0.876%0.758SS**  trans-149.2157.8134.6-139.20000112.7
1030T30.3Very low30.5Very low117 Ų117140.7 Ų140.772%0.71876%0.759SS**  trans84.8122.2151.650.80000123.6
1031N30Very low30.3Very low150 Ų150141.5 Ų141.580%0.80277%0.766SS**  trans97.3158.7131.7-67.9-3.9000122
1032V30.6Very low30.2Very low129 Ų129145.4 Ų145.478%0.78277%0.772SS**  trans-141162.1-153.5175.20000109.2
1033R26.6Very low30.1Very low240 Ų240142.9 Ų142.991%0.90677%0.773SS**  trans-16135.9167.4-61.4171.1165.9153.8-5.7114.1
1034K24.3Very low30.1Very low195 Ų195140.6 Ų140.685%0.84877%0.771SS**  -175.8174.252.6-165.4-178.4179.9-175.20110.1
1035V29.8Very low29.6Very low123 Ų123144.2 Ų144.275%0.74578%0.78SS**  trans99.7138.7159-175.80000117.4
1036S29.8Very low29.5Very low89 Ų89143.3 Ų143.362%0.62278%0.784SS**  trans66.2125.5166.2-77.10000122.2
1037Q32.1Very low29.7Very low157 Ų157142.8 Ų142.873%0.73478%0.78SS**  trans61.8134.7139.5-67.9166.7-87.600119.2
1038E28.7Very low30.3Very low152 Ų152144 Ų14471%0.7179%0.79SS**  cis-153.4122.49.8-144.6151.6-136.800114
1039S30.5Very low30.3Very low112 Ų112147 Ų14778%0.78379%0.793SS**  trans60.8141.7155.574.70000120.3
1040N28.6Very low30.9Very low165 Ų165146.8 Ų146.888%0.88280%0.795SS**  cis-150167.5-14-147-7.9000110.9
1041A29Very low30.8Very low95 Ų95145.2 Ų145.279%0.78580%0.802SS**  trans-122.3-169.1-162.300000115.8
1042E28.6Very low30.9Very low188 Ų188141.7 Ų141.788%0.87980%0.801SS**  trans-77.1159.4-169.7-56.2169.176.200116.2
1043S28.8Very low31.1Very low117 Ų117143 Ų14382%0.81880%0.802SS**  trans88.5166.6138.7-142.70000122.4
1044V31.2Very low31.3Very low122 Ų122138.5 Ų138.574%0.73980%0.795SS**  trans-75.4151.6-172169.10000112
1045Q33.5Very low31.8Very low165 Ų165135.4 Ų135.477%0.77179%0.792SS**  cis-175.4152.3-21.2-171.3170.427.900109.5
1046S31.3Very low32Very low117 Ų117137.8 Ų137.882%0.81880%0.797SS**  trans81.1154168.480.20000120.4
1047I32.9Very low32.2Very low155 Ų155138.1 Ų138.180%0.79580%0.799SS**  trans-154152.9-148.5-61.6158.5000112.7
1048P44Very low32.8Very low126 Ų126135.9 Ų135.982%0.81880%0.799SS**  trans-118.7167.4148.53.319.4000116.5
1049R28.7Very low32.8Very low240 Ų240133.8 Ų133.891%0.90680%0.796SS**  trans-97.4-173.9-168.8-67.6176.5173.5-179.7-3113.5
1050P38.9Very low32.9Very low129 Ų129134.6 Ų134.684%0.83879%0.792SS**  cis-129.6-168.70.143.9-26.9000114.4
1051G29.5Very low33.1Very low83 Ų83134.1 Ų134.186%0.85678%0.784SS**  cis130.8100.1-14.200000117.1
1052G30.7Very low33.3Very low77 Ų77134.5 Ų134.579%0.79478%0.777SS**  trans154.8153172.600000112
1053I36Very low33.1Very low155 Ų155132.5 Ų132.580%0.79577%0.772SS**  cis-138.5123.99.1-71.4176.6000110.8
1054I30.9Very low33.2Very low146 Ų146133.1 Ų133.175%0.74978%0.776SS**  trans41.6135.1142-48.6174000120
1055V33.5Very low33.1Very low131 Ų131131.5 Ų131.579%0.79478%0.776SS**  trans118.1114.1-180169.60000108.3
1056M35.4Very low33.3Very low172 Ų172129.7 Ų129.785%0.84778%0.778SS**SBendcis-102-151.9-4.7-65.6-169.275.800112.1
1057S34.1Very low33.7Very low96 Ų96129.4 Ų129.467%0.67177%0.774SS**  trans-168.6170.6-171.8-74.80000108
1058P43.2Very low34.1Very low111 Ų111127.1 Ų127.172%0.72177%0.769SS**  cis-129.5172.912.146.6-30.5000113.5
1059T30.3Very low33.6Very low107 Ų107128 Ų12866%0.65677%0.772SS**  58.198.352.1-1.60000111.7
1060N31.4Very low33.8Very low130 Ų130119.9 Ų119.970%0.69576%0.763SS**  -176.7163.290.2-101.526.5000109.9
1061Q32.9Very low33.6Very low155 Ų155118.9 Ų118.972%0.72477%0.766SS**  cis-140.8-88.2-0-150.5178.3-87.500114
1062T32.9Very low33.8Very low102 Ų102119.5 Ų119.563%0.62676%0.763SS**  trans-163.8164.3-151.744.60000112.7
1063D25.7Very low33.9Very low147 Ų147120.3 Ų120.379%0.78676%0.762SS**  trans-30138171.4-50.8-82.9000118.9
1064S30.3Very low33.8Very low129 Ų129122.6 Ų122.690%0.90277%0.766SS**  -177.3168.6129.1-81.60000112.1
1065A29Very low34.2Very low88 Ų88121.4 Ų121.473%0.72777%0.768SS**  trans-112.4-179.7-177.200000111.5
1066P37.7Very low34.3Very low127 Ų127121 Ų12183%0.82577%0.771SS**  cis-122.8-106.7-25.3232.8000113.7
1067P39.6Very low34.4Very low111 Ų111122 Ų12272%0.72177%0.765SS**  trans-118.9-166-149.743.8-24.1000113.8
1068P40.9Very low34.4Very low107 Ų107124.4 Ų124.470%0.69576%0.764SS**  cis-123.7-159-18.336-15.9000112.8
1069T33.8Very low33.8Very low144 Ų144126.5 Ų126.588%0.88376%0.764SS**  trans72.3151.2176.275.10000116.2
1070G32.6Very low33.6Very low70 Ų70126.9 Ų126.972%0.72277%0.766SS**  cis167.7126.8-13.600000113.4
1071A35.1Very low33.4Very low109 Ų109126.5 Ų126.590%0.90177%0.768SS**  trans62.2148.5173.400000117.9
1072A34.7Very low33.3Very low96 Ų96128.1 Ų128.179%0.79377%0.773SS**  cis-161.3167.3-18.700000111.4
1073A32.8Very low33.1Very low93 Ų93128.7 Ų128.777%0.76978%0.781SS**  trans77127.417300000118.7
1074K34Very low33.5Very low204 Ų204126.3 Ų126.389%0.88778%0.782SS**  cis-159.4172.5-20.5-117.7165.2-177.7-177.20108
1075P38.8Very low33.5Very low121 Ų121127.6 Ų127.679%0.78678%0.779SS**  -124.9-170-12939.5-21.4000115.8
1076S35Very low34.3Very low122 Ų122128.8 Ų128.885%0.85378%0.779SS**  cis-173.1-179.5-40.5-169.70000109.4
1077R37.3Very low33.9Very low193 Ų193130.6 Ų130.673%0.72878%0.78SS**  trans-143.3153.1-166.475.7178.9-79.6-168.5-2.1119.3
1078F33.9Very low33.5Very low146 Ų146129.9 Ų129.964%0.6478%0.784SS**  trans77.3120.8148.1-88.8-130.9000125.2
1079Q30Very low33.2Very low156 Ų156131.3 Ų131.373%0.72979%0.791SS**  68.8122.4122.9-72.8-168.8-16.100127.3
1080V26.6Very low33.2Very low114 Ų114129.3 Ų129.369%0.69178%0.78SS**  99.7110.1120.1167.80000124.3
1081T28.8Very low33.1Very low122 Ų122133.4 Ų133.475%0.74878%0.784SS**  trans66.5121.6147.356.10000127.2
1082K30.6Very low32.9Very low190 Ų190133.4 Ų133.483%0.82678%0.777SS**  trans77.2102.8133.8-77.2-168.9174.1-176.30123.3
1083S28.6Very low32.9Very low114 Ų114134.3 Ų134.380%0.79778%0.777SS**  89.5135.7124.5-59.70000121.5
1084A32.8Very low32.7Very low96 Ų96135 Ų13579%0.79378%0.777SS**  trans89.3118.1170.500000117.7
1085D31.1Very low32.4Very low157 Ų157132.9 Ų132.984%0.8477%0.774SS**  trans-100.1-177.3-179.1-49.9-88.6000111.4
1086P45.6Very low31.9Very low112 Ų112131.9 Ų131.973%0.72777%0.769SS**  cis-138.3-173.70.331.6-7.1000116.7
1087I30Very low31.7Very low165 Ų165132.6 Ų132.685%0.84677%0.769SS**  trans79.486.5160.1-38.6-174.3000118.7
1088A31.2Very low31.3Very low97 Ų97128.4 Ų128.480%0.80278%0.776SS**  -163.3145.3114.700000110.6
1089T33.3Very low31.1Very low137 Ų137127.9 Ų127.984%0.8479%0.785SS**  trans-117.3178.1-176.251.30000109.7
1090P34.8Very low31.1Very low102 Ų102126.3 Ų126.366%0.66279%0.785SS**  cis-146-173.816.243.3-22000118.2
1091I31.2Very low31.4Very low156 Ų156127.7 Ų127.780%0.879%0.787SS**  trans69.1127.9164.7-52.4169.7000115.4
1092S30.5Very low32Very low109 Ų109125.3 Ų125.376%0.76277%0.774SS**  cis-169.5164.2-14.2-99.90000106.6
1093S33.6Very low32.1Very low114 Ų114121 Ų12180%0.79776%0.759SS**  cis-158.31505.242.50000110.9
1094S29.2Very low32.4Very low109 Ų109121.1 Ų121.176%0.76276%0.755SS**  trans-155.4-168.4157.166.40000108.5
1095I28.4Very low32.4Very low159 Ų159120.8 Ų120.882%0.81575%0.752SS**  trans112.2139.1167.7-61.5162.3000115
1096S28.1Very low32.6Very low99 Ų99117.6 Ų117.669%0.69275%0.747SS**  trans-114162.6169.5-56.70000110.5
1097T29.5Very low31.9Very low138 Ų138118.4 Ų118.485%0.84775%0.75SS**  trans61.8118.9166.357.80000119.4
1098A29.9Very low32.6Very low105 Ų105115.5 Ų115.587%0.86874%0.742SS**  179.2173.5127.800000111.1
1099T29.9Very low32.9Very low135 Ų135117.7 Ų117.783%0.82875%0.745SS**  trans-124.7163-170.1-46.90000111.8
1100V29.3Very low32.8Very low122 Ų122118.3 Ų118.374%0.73974%0.744SS**  trans118.283151.8-173.20000119.9
1101I33.1Very low32.9Very low143 Ų143120.6 Ų120.673%0.73375%0.749SS**  trans66.4-173.1133.8-14.6179.9000122.9
1102P42.2Very low32.9Very low73 Ų73118.9 Ų118.947%0.47475%0.746SS.*  -113.5-174-12342.2-23.7000116.5T1251P1102-T1251 WeakPolarHBondContact O-CB 3.38Å; P1102-T1251 PolarHBondContact O-OG1 3Å
1103I32.3Very low32.9Very low98 Ų98118.7 Ų118.750%0.50374%0.744SS.*  cis-152.3176.659.3172.3000111.9P1249 A1250 T1251I1103-P1249 WeakPolarHBondContact CA-O 3.12Å; I1103-P1249 WeakPolarHBondContact CG2-O 3.46Å; I1103-A1250 CarbonylContact O-C 3.59Å; I1103-T1251 PolarHBondContact N-OG1 2.98Å; I1103-T1251 WeakPolarHBondContact O-CA 3.45Å; I1103-T1251 PolarHBondContact O-N 3.49Å; I1103-T1251 PolarHBondContact O-OG1 2.97Å
1104V34.4Very low32.7Very low118 Ų118121.5 Ų121.572%0.71575%0.745SS**  trans68.4146.4154.2-78.90000123.2P1249V1104-P1249 PolarHBondContact N-O 3.06Å
1105A32.8Very low33Very low89 Ų89120.9 Ų120.974%0.73674%0.738SS**  cis-160.8150.6-0.500000116.6
1106A35.3Very low33Very low89 Ų89116.7 Ų116.774%0.73672%0.72SS**  trans50.8151.414000000124
1107T31.7Very low33.2Very low130 Ų130119.2 Ų119.280%0.79872%0.724SS**  cis-173.5-157.5-23.446.50000105.6
1108P43.4Very low33.3Very low104 Ų104117.3 Ų117.368%0.67571%0.712SS**  cis-134.9-162.4-17.837.8-14.9000115.4
1109T39Very low33.6Very low142 Ų142117.3 Ų117.387%0.87169%0.694SS**  trans82151.6169.771.90000119.5
1110N31Very low34.2Very low150 Ų150114.1 Ų114.180%0.80268%0.676SS**  -154.7155.3-76.3-170.39.6000109.1
1111I36.8Very low34.3Very low151 Ų151115.7 Ų115.777%0.77468%0.678SS**  trans157.4131.1146.5-84156.7000112.7
1112T30.7Very low34.2Very low119 Ų119114.8 Ų114.873%0.7368%0.68SS**SBendtrans80.692.1171.9-2.90000120.2
1113S29.9Very low33.6Very low105 Ų105115.3 Ų115.373%0.73469%0.69SS**  trans63135.1137.1620000122.4
1114E30.4Very low33.4Very low174 Ų174119 Ų11981%0.81371%0.705SS**  cis177.7162.9-31.9-102.7-7297.100106.5
1115P34.9Very low33Very low96 Ų96118.4 Ų118.462%0.62370%0.702SS**  -135.9-164.2-11445.3-27.9000116.3
1116V29.5Very low32.9Very low71 Ų71121 Ų12143%0.4370%0.702SS.*  trans-79.6135.7178.1165.20000113.2T1243 L1244V1116-T1243 VanDerWaalsContact CG1-C 3.43Å; V1116-T1243 WeakPolarHBondContact CG1-O 3.4Å; V1116-L1244 HydrophobicContact CG2-CB 3.76Å
1117I32.2Very low32.5Very low152 Ų152121.7 Ų121.778%0.77970%0.697SS**  trans-138.9174.9168.1-73.2-167.4000111.8
1118V30.5Very low32.5Very low98 Ų98122.9 Ų122.959%0.59469%0.693SS**  trans-91.1149.4-150.6150.10000116.4T1241 A1242V1118-T1241 CarbonylContact C-O 3.58Å; V1118-T1241 WeakPolarHBondContact CA-O 3.23Å; V1118-T1241 VanDerWaalsContact CB-O 3.25Å; V1118-T1241 WeakPolarHBondContact CB-O 3.26Å; V1118-T1241 VanDerWaalsContact CG1-O 3.22Å; V1118-T1241 WeakPolarHBondContact CG1-O 3.43Å; V1118-T1241 VanDerWaalsContact CG2-O 3.32Å; V1118-T1241 WeakPolarHBondContact CG2-O 3.45Å; V1118-A1242 VanDerWaalsContact CG2-O 3.28Å; V1118-A1242 WeakPolarHBondContact CG2-O 3.46Å
1119Q35.8Very low32Very low105 Ų105125 Ų12549%0.49170%0.698SS.*  trans-66178.3167.3-96.7-176.82600113.3T1241 A1242Q1119-T1241 WeakPolarHBondContact CB-O 3.48Å; Q1119-T1241 PolarHBondContact N-O 3.5Å; Q1119-T1241 PolarHBondContact O-N 3.34Å; Q1119-T1241 PolarHBondContact OE1-OG1 3.22Å; Q1119-A1242 HydrophobicContact CB-CB 3.84Å; Q1119-A1242 HydrophobicContact CG-CB 3.54Å
1120P42.8Very low31.6Very low68 Ų68121.9 Ų121.944%0.44269%0.687SS.*  cis-141174.5-32.240.5-23.2000115.1
1121I31.9Very low31.6Very low155 Ų155120.9 Ų120.980%0.79569%0.686SS**  trans51.4115.9161.5-23.6-172.4000120.4
1122T30.2Very low31.7Very low124 Ų124118.5 Ų118.576%0.76168%0.68SS**  170104.7124.7-68.80000106.1
1123A29.7Very low31.7Very low84 Ų84118 Ų11869%0.69468%0.682SS**  54.3134.696.100000113.6
1124Q28.4Very low32Very low174 Ų174118.4 Ų118.481%0.81368%0.682SS**  cis-167.3178.114.1-144.7-176.923.500111
1125V27Very low32.1Very low107 Ų107116.1 Ų116.165%0.64868%0.68SS**  trans85.2120.7139.2139.80000121.5
1126I28.7Very low31.6Very low142 Ų142115.5 Ų115.573%0.72868%0.678SS**  trans72.2142.8142.8-70.6-178.1000120.7
1127T27.3Very low31.7Very low104 Ų104120.4 Ų120.464%0.63870%0.695SS**  cis-160.3-157.5-40.6-33.60000107
1128H32.7Very low31.6Very low156 Ų156117.5 Ų117.572%0.72269%0.689SS**  trans80.4133.7170.3-47.3-71.4000114.6
1129L31.9Very low31.5Very low147 Ų147120 Ų12077%0.7770%0.698SS**  cis-148.7121.5-4.5-140.760.7000105.2
1130A30.8Very low31.1Very low77 Ų77120 Ų12064%0.63671%0.71SS**  70.4149.798.600000113.9
1131T30.6Very low30.6Very low129 Ų129121.5 Ų121.579%0.79172%0.722SS**  cis173.3-179.61.5260000106.2
1132P39.5Very low30.5Very low101 Ų101121.7 Ų121.766%0.65673%0.725SS**  cis-140.7-174.7-47.941.4-24.4000113.7
1133S30.2Very low30.5Very low109 Ų109120.6 Ų120.676%0.76272%0.722SS**  trans66.8166.2142.5-67.60000120.9
1134P37.4Very low30.4Very low113 Ų113121.4 Ų121.473%0.73472%0.722SS**  cis-124.7-167.8-41.136.5-18.3000109.8
1135V31.5Very low30.6Very low126 Ų126119 Ų11976%0.76472%0.722SS**  cis-149.7168.617.6-122.70000110.3
1136S25.7Very low30.6Very low83 Ų83117.3 Ų117.358%0.5872%0.715SS**  trans-4.4142.3146.7-42.90000118.1
1137H31.1Very low30.7Very low174 Ų174114.5 Ų114.581%0.80671%0.713SS**  -166.8157.662.7-96-80.2000114.9
1138S29.6Very low30.8Very low92 Ų92116 Ų11664%0.64372%0.722SS**  trans4.1154.5148.254.40000122.5
1139L28.7Very low30.6Very low151 Ų151114.2 Ų114.279%0.79172%0.722SS**  cis-172.1156.7-4.3-107.4167.6000109.6
1140S27.8Very low30.4Very low104 Ų104115.4 Ų115.473%0.72772%0.723SS**  trans56.1149.7149.7-61.60000120.9
1141S32.4Very low30.3Very low100 Ų100115.7 Ų115.770%0.69972%0.721SS**  cis-155.9135.2-9.236.70000107.9
1142N29.3Very low30.1Very low159 Ų159117.1 Ų117.185%0.8572%0.723SS**  63.9140.968.6-81.6-4000113.6
1143S30.8Very low29.7Very low101 Ų101120.3 Ų120.371%0.70673%0.732SS**  cis-158.8154.417.142.10000116.1
1144S26.2Very low29.7Very low100 Ų100120.1 Ų120.170%0.69973%0.73SS**  -141.1136.2128.7-71.50000107.2
1145P33Very low29.1Very low124 Ų124120.5 Ų120.581%0.80574%0.736SS**  -149.7-177.9109.739.9-23.4000114.4
1146S27.4Very low29Very low72 Ų72120.8 Ų120.850%0.50373%0.732SS.*  trans-73.1167178.5-81.20000115.5Q1344S1146-Q1344 VanDerWaalsContact CB-OE1 3.3Å; S1146-Q1344 PolarHBondContact OG-NE2 2.83Å; S1146-Q1344 PolarHBondContact OG-OE1 3.32Å
1147A30.7Very low29Very low83 Ų83125 Ų12569%0.68674%0.742SS**  trans-64.2153.9-175.800000115.6
1148T29Very low28.9Very low136 Ų136121.4 Ų121.483%0.83474%0.737SS**  trans-139.8109.1134.1-69.60000108.3H1150T1148-H1150 PolarHBondContact O-N 3.34Å
1149T29.2Very low28.8Very low118 Ų118123 Ų12372%0.72474%0.743SS**  trans-72.6119.1168.2-33.80000108.1
1150H28.3Very low28.9Very low171 Ų171122.5 Ų122.579%0.79275%0.746SS**  trans178.288.5148.3-91.7-53.9000108.1T1148T1148-H1150 PolarHBondContact O-N 3.34Å
1151S28Very low29.2Very low83 Ų83122.6 Ų122.658%0.5875%0.747SS**  73.6103.779.972.50000114.3
1152N25.9Very low29.2Very low159 Ų159124 Ų12485%0.8575%0.751SS**  -168.3156.9123.6-104.1-37.6000112.8
1153M31.9Very low29.3Very low169 Ų169122.2 Ų122.283%0.83375%0.748SS**SBendtrans64118-179.4-47-167.878.900114.4
1154S30Very low29.2Very low104 Ų104121 Ų12173%0.72775%0.751SS**  cis-125.2110.615.3-64.20000113.3
1155S24.1Very low29.6Very low121 Ų121128.3 Ų128.385%0.84676%0.763SS**  trans-102.989.7153.2-62.40000108.7
1156I30.8Very low29.5Very low133 Ų133134.1 Ų134.168%0.68277%0.769SS**  trans-127.696.2165.9-59-179.1000103.4
1157Q25.5Very low29.7Very low170 Ų170139.5 Ų139.579%0.79478%0.784SS**  73.8158.281.3-73.3-174.8-600113.4
1158S28.8Very low29.8Very low100 Ų100140.9 Ų140.970%0.69978%0.784SS**  trans7391-179.8-58.60000113.9
1159T26.8Very low30Very low126 Ų126140.2 Ų140.277%0.77378%0.779SS**  51.2133.163.2860000113.5
1160T30.1Very low30.1Very low140 Ų140144 Ų14486%0.85979%0.789SS**SBendtrans-53.5152.6158.339.80000110.6
1161S34.2Very low30.4Very low105 Ų105140.7 Ų140.773%0.73478%0.783SS**  trans-75.6137.4-158.837.20000115.1
1162V32.3Very low30.6Very low130 Ų130143.5 Ų143.579%0.78880%0.796SS**  38.6130.5124.4-170.70000118
1163P31.7Very low30.8Very low121 Ų121141.4 Ų141.479%0.78679%0.794SS**  cis-138.2161.6-17.738.2-20.6000116.1
1164G29.6Very low31Very low75 Ų75142.6 Ų142.677%0.77380%0.797SS**  trans86.1159.6144.300000119.1
1165R34.4Very low31Very low254 Ų254141.5 Ų141.596%0.95879%0.794SS**  trans51.685.8176.3-70.5-172171.4-164.6-1.7116.9
1166R30.3Very low31.4Very low247 Ų247144.5 Ų144.593%0.93280%0.795SS**  trans-116.9143.9130.7-155.7172.6-161.7165.56.7109.3T1168R1166-T1168 PolarHBondContact O-N 2.95Å
1167F31.7Very low31.4Very low185 Ų185143.4 Ų143.481%0.81180%0.799SS**  trans-69.5124.7174.9-101-100.7000110.2
1168T32.2Very low31.9Very low112 Ų112139.3 Ų139.369%0.68780%0.803SS**SBendtrans47.5122.1136.157.90000119.6R1166R1166-T1168 PolarHBondContact O-N 2.95Å
1169V33.8Very low31.9Very low121 Ų121141.7 Ų141.773%0.73381%0.806SS**  cis-153.5133.2-2.8-173.20000109.9
1170Q30.8Very low32Very low197 Ų197140.7 Ų140.792%0.92180%0.804SS**  trans-161.4116.2140.9-132.1-175.421.600112.2
1171P36.3Very low32Very low103 Ų103138.6 Ų138.667%0.66980%0.795SS**  trans-135173.7161.741.7-30.2000112
1172V30.9Very low31.9Very low142 Ų142138.4 Ų138.486%0.86179%0.794SS**  cis-161.2159-24.8137.30000106.5
1173S31.3Very low32Very low114 Ų114139.2 Ų139.280%0.79779%0.792SS**  trans-76145.8-172.6-350000117
1174Q35.5Very low31.8Very low194 Ų194137 Ų13791%0.90778%0.78SS**  trans-171.8163.9149.7-101.5178.83.700107.4
1175A30.1Very low32.2Very low81 Ų81140.9 Ų140.967%0.66979%0.789SS**  cis-170.9150.3-42.700000107.6
1176E31.9Very low32.8Very low185 Ų185132.8 Ų132.886%0.86477%0.769SS**SBendtrans68.2142.1170.1-53.7-158.89800120.5
1177S32.1Very low33.1Very low109 Ų109129 Ų12976%0.76276%0.762SS**SBendtrans33.880.8167.756.50000117.1I1179S1177-I1179 PolarHBondContact O-N 2.91Å
1178G34.8Very low33.6Very low85 Ų85124.9 Ų124.988%0.87675%0.753SS**  trans-63.280.1-174.800000116.4
1179I30.1Very low33.6Very low150 Ų150128.1 Ų128.177%0.76976%0.761SS**  trans-47133.8152.849.1173.7000109.9S1177S1177-I1179 PolarHBondContact O-N 2.91Å
1180S27.8Very low33.8Very low105 Ų105126.9 Ų126.973%0.73476%0.755SS**  49.2129.180.9-70.40000113.3
1181S30.6Very low33.8Very low96 Ų96124.1 Ų124.167%0.67175%0.752SS**  cis-173.8-172.63.656.20000108.9
1182S31.5Very low33.6Very low100 Ų100124.9 Ų124.970%0.69976%0.757SS**  trans65.7132.4144.8-54.40000120.5
1183I33.6Very low33.6Very low148 Ų148122.6 Ų122.676%0.75975%0.752SS**  trans84.7137.9145.8-116165.3000117.9P1186I1183-P1186 HydrophobicContact CB-CG 4.28Å; I1183-P1186 HydrophobicContact CG1-CG 4.17Å; I1183-P1186 HydrophobicContact CG2-CB 3.92Å; I1183-P1186 HydrophobicContact CG2-CG 3.82Å; I1183-P1186 VanDerWaalsContact O-CB 3.27Å; I1183-P1186 WeakPolarHBondContact O-CB 3.25Å
1184S29.6Very low33.5Very low75 Ų75124.4 Ų124.452%0.52475%0.752SS.*THydrogen-bonded Turntrans-104.30-175.455.40000130.3P1186 H1187S1184-P1186 VanDerWaalsContact CA-CA 3.45Å; S1184-P1186 VanDerWaalsContact CB-C 3.42Å; S1184-P1186 VanDerWaalsContact CB-CB 3.45Å; S1184-P1186 CarbonylContact O-C 3.11Å; S1184-P1186 WeakPolarHBondContact O-CA 3.22Å; S1184-P1186 WeakPolarHBondContact O-CB 3.38Å; S1184-P1186 WeakPolarHBondContact O-CD 3.28Å; S1184-P1186 WeakPolarHBondContact O-CG 3.37Å; S1184-H1187 VanDerWaalsContact CB-O 3.25Å; S1184-H1187 WeakPolarHBondContact CB-O 3.36Å
1185T36.8Very low33.2Very low156 Ų156120.8 Ų120.896%0.95774%0.743SS**THydrogen-bonded Turn013064.60000102.3
1186P47.9Very low33.1Very low84 Ų84122.1 Ų122.155%0.54575%0.748SS.*THydrogen-bonded Turn-120.3-152.8-68.840.1000114.2I1183 S1184I1183-P1186 HydrophobicContact CB-CG 4.28Å; I1183-P1186 HydrophobicContact CG1-CG 4.17Å; I1183-P1186 HydrophobicContact CG2-CB 3.92Å; I1183-P1186 HydrophobicContact CG2-CG 3.82Å; I1183-P1186 VanDerWaalsContact O-CB 3.27Å; I1183-P1186 WeakPolarHBondContact O-CB 3.25Å; S1184-P1186 VanDerWaalsContact CA-CA 3.45Å; S1184-P1186 VanDerWaalsContact CB-C 3.42Å; S1184-P1186 VanDerWaalsContact CB-CB 3.45Å; S1184-P1186 CarbonylContact O-C 3.11Å; S1184-P1186 WeakPolarHBondContact O-CA 3.22Å; S1184-P1186 WeakPolarHBondContact O-CB 3.38Å; S1184-P1186 WeakPolarHBondContact O-CD 3.28Å; S1184-P1186 WeakPolarHBondContact O-CG 3.37Å
1187H35.4Very low32.9Very low168 Ų168119 Ų11978%0.77875%0.745SS**  trans-66134.4-163.2-98.2-88.6000116.5S1184S1184-H1187 VanDerWaalsContact CB-O 3.25Å; S1184-H1187 WeakPolarHBondContact CB-O 3.36Å
1188P42.5Very low33.1Very low98 Ų98119 Ų11964%0.63674%0.742SS**  trans-113.5169.6-175.242.9-36.2000115.7
1189E31.7Very low33Very low180 Ų180120.6 Ų120.684%0.84174%0.737SS**  trans61.4154.8158.8-75.5-161.2107.300119.9
1190P38.4Very low33Very low94 Ų94118.5 Ų118.561%0.6173%0.733SS**  -135.1139.4-5633.8-15.7000114.7
1191T32Very low33.3Very low140 Ų140120 Ų12086%0.85974%0.738SS**  trans62.5154.616765.10000119.2
1192P31.8Very low33.5Very low119 Ų119120.9 Ų120.977%0.77374%0.741SS**  cis-117.9153.3-15.338-24.7000114.1
1193A29.9Very low33.5Very low93 Ų93121.4 Ų121.477%0.76975%0.745SS**  trans-120144.6168.200000108.4
1194I30.2Very low33.5Very low153 Ų153120.3 Ų120.379%0.78575%0.745SS**  cis73.4133.131.8-42.9175.1000114.3
1195T28.7Very low34.1Very low118 Ų118122.2 Ų122.272%0.72476%0.755SS**  trans107.9134.7150.6-20.40000119.7
1196S28.1Very low34Very low109 Ų109120.7 Ų120.776%0.76275%0.748SS**  trans74.7140.314644.50000122.6
1197C26.8Very low33Very low120 Ų120122.5 Ų122.581%0.81176%0.757SS**  trans-54.4164.7159.1-54.20000113.6
1198P37.7Very low32.6Very low108 Ų108120.7 Ų120.770%0.70176%0.758SS**  cis-136.9162.6-33.836.8-21.7000113.5
1199P31.4Very low32Very low118 Ų118120.7 Ų120.777%0.76676%0.76SS**  trans-81.1165.6151.736.9-33.7000110.6
1200P31.6Very low32Very low106 Ų106120.4 Ų120.469%0.68876%0.764SS**  -115.6-156.6-5137.4-23.1000109.1
1201V33.4Very low31.7Very low137 Ų137118.7 Ų118.783%0.8376%0.764SS**  trans62.5149175.5-60.40000116.3
1202P34Very low31.7Very low115 Ų115118.6 Ų118.675%0.74776%0.763SS**  cis-116.613610.337.6-24000116
1203S32Very low31.7Very low111 Ų111121.1 Ų121.178%0.77677%0.769SS**  trans-66.6128.5148.9-60.40000107.8
1204V34.1Very low31.5Very low125 Ų125123.9 Ų123.976%0.75877%0.771SS**  67.6115.663.4-178.40000111.4
1205P41.6Very low31.6Very low115 Ų115123.6 Ų123.675%0.74777%0.771SS**  trans-77.6175.1-17536.9-39.8000112.2
1206P34.1Very low31.7Very low123 Ų123125.1 Ų125.180%0.79977%0.769SS**  cis-147.8-164.63644.7-22.4000118.1
1207V27Very low32.2Very low123 Ų123125.3 Ų125.375%0.74577%0.766SS**  trans-87.6145.7-178.7175.90000111.3
1208V28.8Very low32.6Very low129 Ų129123.7 Ų123.778%0.78276%0.761SS**  trans60.3151.3171.3-70.40000118.2
1209S28.4Very low32.9Very low99 Ų99123.4 Ų123.469%0.69276%0.759SS**  cis-159.3155.1-5.8-117.70000111.9
1210N32.2Very low33Very low173 Ų173126.6 Ų126.693%0.92576%0.761SS**  trans-179.9128.7151.3-95.8-25.5000108
1211G32.3Very low33.1Very low59 Ų59129.9 Ų129.961%0.60877%0.767SS**  cis-150.9153.6-13.300000108.6
1212T31.3Very low32.9Very low137 Ų137128.6 Ų128.684%0.8476%0.76SS**  58107.498.7-45.80000111.9
1213L31.8Very low33.4Very low172 Ų172129.1 Ų129.190%0.90176%0.763SS**  cis-123.7154.340.3-70.4161.3000114.4
1214N26.5Very low33.3Very low151 Ų151128.5 Ų128.581%0.80776%0.759SS**  trans-149.8140.5169.6-169.731000110.3
1215L31.8Very low33.3Very low148 Ų148127 Ų12778%0.77576%0.76SS**  trans-150.1139.6168.2-122.381.9000104.5
1216E29.9Very low32.7Very low149 Ų149128.1 Ų128.170%0.69677%0.765SS**  cis-159140.515.3175.869.3145.400108.8
1217V39.3Very low32.5Very low113 Ų113128.1 Ų128.169%0.68576%0.758SS**  trans48.3114.9159.2172.50000118.9
1218A34.6Very low32.7Very low86 Ų86129.6 Ų129.671%0.71176%0.757SS**  6616259.600000114.8
1219P45.3Very low32.5Very low103 Ų103130 Ų13067%0.66975%0.754SS**  cis-138.5168.7-143.4-26.8000117.3
1220K32.6Very low32.6Very low184 Ų184130.5 Ų130.580%0.875%0.753SS**  trans58.1159.3141.9-71.2171.7-1771760120
1221Q33.1Very low32.5Very low175 Ų175128.5 Ų128.582%0.81874%0.742SS**  cis-151.9166.311.1-144.4155.6-14.500112.9
1222T29.9Very low32.5Very low111 Ų111130.6 Ų130.668%0.68174%0.743SS**  trans-95.3166.7175.355.50000113S1224T1222-S1224 PolarHBondContact OG1-OG 2.91Å
1223P44.2Very low32.4Very low126 Ų126131.4 Ų131.482%0.81874%0.738SS**  -131.1157.38938.5-29.7000112.9
1224S30.8Very low32.4Very low98 Ų98130.7 Ų130.769%0.68573%0.729SS**  cis85.185.317.1-52.60000117.6T1222T1222-S1224 PolarHBondContact OG1-OG 2.91Å
1225A33.4Very low32.6Very low93 Ų93127.5 Ų127.577%0.76972%0.719SS**  trans-161.8117.7147.800000107.6
1226T30.2Very low32.6Very low139 Ų139125.2 Ų125.285%0.85372%0.716SS**  83.4138.266.5-74.30000113
1227N27.9Very low32.6Very low122 Ų122123 Ų12365%0.65272%0.716SS**  cis-174.2169.3-25.1-162.6-3.7000107.6
1228Q31.4Very low32.1Very low155 Ų155124 Ų12472%0.72472%0.723SS**  trans68.7138.1164-67151.14300116.9
1229N25.2Very low32Very low137 Ų137124.1 Ų124.173%0.73372%0.724SS**  cis104.3153.121.8-171.544.1000113.2
1230V31.3Very low31.4Very low110 Ų110123 Ų12367%0.66772%0.719SS**  trans62.1146.7-179.8-80.40000116.7
1231D29.4Very low31.5Very low131 Ų131117.4 Ų117.470%0.70170%0.7SS**  cis-149.9166.58-141.9-55.4000113.2
1232T33.4Very low31.5Very low102 Ų102110.8 Ų110.863%0.62668%0.675SS**  trans59.8120.9145.6-75.90000119
1233Q29Very low31.6Very low154 Ų154109.8 Ų109.872%0.7267%0.669SS**  cis-162.8-144.4-7-128.1167.397.900107.8
1234H31.9Very low31Very low157 Ų157109.9 Ų109.973%0.72766%0.662SS**  cis-148-86.48.5-163.9-96.5000113.2
1235S30.7Very low31Very low84 Ų84111.5 Ų111.559%0.58767%0.667SS**  trans-155.4149.5-162.763.40000118.3
1236S30.9Very low30.6Very low101 Ų101111.9 Ų111.971%0.70666%0.664SS**  trans65112.1139.963.90000124.2
1237S29.9Very low30.5Very low102 Ų102113.9 Ų113.971%0.71366%0.664SS**  69126.3128.561.80000125.6
1238T30Very low30.9Very low135 Ų135114.3 Ų114.383%0.82867%0.671SS**  trans79.9128137.447.40000125.1
1239A31.3Very low31.1Very low88 Ų88111.6 Ų111.673%0.72767%0.667SS**  trans84.9113.3141.200000123.7
1240S33.2Very low31.4Very low80 Ų80107.7 Ų107.756%0.55965%0.654SS**  34.8147111.9-74.90000122.4
1241T33.6Very low31.6Very low66 Ų66106.4 Ų106.441%0.40565%0.646SS.*  cis-163.6-179-17.5-17.10000111V1118 Q1119V1118-T1241 CarbonylContact C-O 3.58Å; V1118-T1241 WeakPolarHBondContact CA-O 3.23Å; V1118-T1241 VanDerWaalsContact CB-O 3.25Å; V1118-T1241 WeakPolarHBondContact CB-O 3.26Å; V1118-T1241 VanDerWaalsContact CG1-O 3.22Å; V1118-T1241 WeakPolarHBondContact CG1-O 3.43Å; V1118-T1241 VanDerWaalsContact CG2-O 3.32Å; V1118-T1241 WeakPolarHBondContact CG2-O 3.45Å; Q1119-T1241 WeakPolarHBondContact CB-O 3.48Å; Q1119-T1241 PolarHBondContact N-O 3.5Å; Q1119-T1241 PolarHBondContact O-N 3.34Å; Q1119-T1241 PolarHBondContact OE1-OG1 3.22Å
1242A33.8Very low31.8Very low35 Ų35105.6 Ų105.629%0.28965%0.646SS.*  trans73.7164151.700000122.2V1118 Q1119V1118-A1242 VanDerWaalsContact CG2-O 3.28Å; V1118-A1242 WeakPolarHBondContact CG2-O 3.46Å; Q1119-A1242 HydrophobicContact CB-CB 3.84Å; Q1119-A1242 HydrophobicContact CG-CB 3.54Å
1243T32Very low31.8Very low91 Ų91109.3 Ų109.356%0.55866%0.656SS**  cis-170.1132.4-36.4-71.30000110.3V1116V1116-T1243 VanDerWaalsContact CG1-C 3.43Å; V1116-T1243 WeakPolarHBondContact CG1-O 3.4Å
1244L31.7Very low32Very low128 Ų128107.2 Ų107.267%0.6765%0.653SS**  trans159.5141.7136.3-85.8172.2000114.7V1116V1116-L1244 HydrophobicContact CG2-CB 3.76Å
1245V30.3Very low31.9Very low131 Ų131105.5 Ų105.579%0.79465%0.654SS**  trans6.8154.6160.1-79.20000123.2
1246S26.3Very low32.5Very low101 Ų101106.6 Ų106.671%0.70666%0.659SS**  cis-157.4175.410.2-146.60000115.1
1247E26.9Very low32.5Very low182 Ų182109.5 Ų109.585%0.8567%0.665SS**  trans73.9178.6155.8-78174.8-161.300122.7
1248T36.5Very low32.5Very low130 Ų130109.8 Ų109.880%0.79867%0.667SS**  trans-135.5-159.8-152.875.70000113.3
1249P35.2Very low32.4Very low98 Ų98110 Ų11064%0.63667%0.667SS**  cis-131-132.924.143-20.9000115.9I1103 V1104I1103-P1249 WeakPolarHBondContact CA-O 3.12Å; I1103-P1249 WeakPolarHBondContact CG2-O 3.46Å; V1104-P1249 PolarHBondContact N-O 3.06Å
1250A33.4Very low32.7Very low56 Ų56111.9 Ų111.946%0.46367%0.673SS.*  trans-109.2175.8-148.800000120.4I1103I1103-A1250 CarbonylContact O-C 3.59Å
1251T33.8Very low32.5Very low82 Ų82112.7 Ų112.750%0.50368%0.684SS.*  trans-83163.3-173.3-72.60000115.2P1102 I1103P1102-T1251 WeakPolarHBondContact O-CB 3.38Å; P1102-T1251 PolarHBondContact O-OG1 3Å; I1103-T1251 PolarHBondContact N-OG1 2.98Å; I1103-T1251 WeakPolarHBondContact O-CA 3.45Å; I1103-T1251 PolarHBondContact O-N 3.49Å; I1103-T1251 PolarHBondContact O-OG1 2.97Å
1252V35.1Very low32.9Very low115 Ų115115.1 Ų115.170%0.69770%0.701SS**  165.9127.4123.1158.80000114.5
1253H31.6Very low32.6Very low180 Ų180119.5 Ų119.583%0.83372%0.724SS**  trans-163162.9131.1-123.7-83.1000114.8
1254V33.6Very low32.5Very low110 Ų110124.2 Ų124.267%0.66774%0.739SS**  trans-152.9148.4-152.9162.30000111.7
1255T31.2Very low32.1Very low121 Ų121126.8 Ų126.874%0.74275%0.748SS**  cis-158.2-53.7-23.936.90000118
1256P42Very low32.6Very low106 Ų106125.3 Ų125.369%0.68874%0.741SS**  -125.4167.3-127.642.4-34000119.9
1257I31.3Very low32.7Very low163 Ų163127.8 Ų127.884%0.83675%0.745SS**  trans-175.1155.5140.9-98.3156.6000112.7
1258S29.2Very low33Very low107 Ų107124.6 Ų124.675%0.74874%0.738SS**  trans-12.1133.4178-45.60000120.8
1259V28.8Very low32.8Very low139 Ų139125.1 Ų125.184%0.84274%0.735SS**  cis94.6106.218.5-174.20000117.2
1260P37.8Very low32.5Very low129 Ų129126.1 Ų126.184%0.83874%0.735SS**  trans-133178.817542.6-27.7000117.1
1261A29.2Very low32.5Very low96 Ų96130.2 Ų130.279%0.79374%0.744SS**  trans-161-173.8172.300000111.2
1262P41.2Very low32.5Very low117 Ų117134.2 Ų134.276%0.7676%0.757SS**  cis-143.5-177.1-8.935.8-11.6000118.3
1263V28.5Very low32.1Very low128 Ų128134.1 Ų134.178%0.77676%0.761SS**  trans67.4116.2156.7-141.90000124.1
1264Q28.5Very low32.1Very low189 Ų189131.3 Ų131.388%0.88375%0.752SS**  173.6154.6112.2-92.8-170.2-24.300114.1
1265E24.7Very low32.1Very low182 Ų182131.9 Ų131.985%0.8576%0.756SS**  trans-110.6-163.3-175.6-46.6-177116.500111
1266P39.7Very low32.2Very low100 Ų100133.4 Ų133.465%0.64976%0.758SS**  cis-141.6-169.6-3.727.30.4000117.2
1267L29Very low31.8Very low153 Ų153132.6 Ų132.680%0.80175%0.752SS**  trans77147.2163.1-66.5131000118.4
1268V32.1Very low32.1Very low116 Ų116131.4 Ų131.470%0.70374%0.743SS**  cis173.9148.4-23.8115.60000106.4
1269I32.5Very low32.3Very low140 Ų140132 Ų13272%0.71874%0.737SS**  cis-165.7-170.5-5.5-164158.5000109.6
1270D30Very low32.5Very low120 Ų120129.5 Ų129.564%0.64272%0.719SS**  trans98136.2152.3-9619.9000120.1
1271H32.5Very low32.3Very low142 Ų142125.9 Ų125.966%0.65770%0.696SS**  cis-152.8-176.3-6-153.153.7000111.3
1272H33.3Very low32.7Very low166 Ų166126.6 Ų126.677%0.76968%0.683SS**  trans70.899.1173.9-74.6-72.9000119.6
1273S27.8Very low32.4Very low113 Ų113127.5 Ų127.579%0.7968%0.681SS**  trans-150.458.2157.1680000113.1
1274D30.3Very low32.7Very low121 Ų121130.5 Ų130.565%0.64768%0.679SS**  trans-112.187.9-179.3-83.5-57.3000112.9T1277D1274-T1277 PolarHBondContact OD1-OG1 3.1Å
1275V35.1Very low32.9Very low122 Ų122128.4 Ų128.474%0.73967%0.666SS**SBendtrans-141.2-32.8169.3-176.20000112.1
1276L31.9Very low33.1Very low152 Ų152126.1 Ų126.180%0.79667%0.665SS**SBendtrans-95.3-12.4-173.5-78.6163.5000115.1
1277T34.3Very low32.7Very low90 Ų90127.2 Ų127.255%0.55267%0.674SS**Hα-helixtrans-84.2-33.5176.339.20000112.7D1274 L1279D1274-T1277 PolarHBondContact OD1-OG1 3.1Å; T1277-L1279 PolarHBondContact O-N 2.83Å
1278Q36.8Very low32.8Very low138 Ų138122.6 Ų122.665%0.64566%0.664SS**Hα-helixtrans-60.8-33.2177.5-15778.38.100112.2S1281Q1278-S1281 PolarHBondContact O-N 3.06Å; Q1278-S1281 PolarHBondContact O-OG 2.82Å
1279L34Very low32.7Very low118 Ų118120.8 Ų120.862%0.61865%0.653SS**Hα-helixtrans-76.9-35.1-167.7-148.672.2000114.3T1277 S1281 L1283T1277-L1279 PolarHBondContact O-N 2.83Å; L1279-S1281 VanDerWaalsContact C-N 3.28Å; L1279-L1283 WeakPolarHBondContact O-CD1 3.22Å
1280D33.4Very low32.6Very low88 Ų88117.7 Ų117.747%0.47164%0.644SS.*Hα-helixtrans-78.2-14.2174.9-170.640.3000112.5R1284D1280-R1284 IonicContact OD1-CZ 3.8Å; D1280-R1284 IonicContact OD1-NE 2.69Å; D1280-R1284 PolarHBondContact OD1-NE 2.89Å; D1280-R1284 IonicContact OD1-NH2 2.66Å; D1280-R1284 PolarHBondContact OD1-NH2 2.82Å; D1280-R1284 IonicContact OD2-CZ 2.73Å; D1280-R1284 IonicContact OD2-NE 3.98Å; D1280-R1284 IonicContact OD2-NH2 3.46Å; D1280-R1284 PolarHBondContact OD2-NH2 2.87Å
1281S34.4Very low32.8Very low52 Ų52121.4 Ų121.436%0.36466%0.657SS.*Hα-helixtrans-78.9-22.2176.982.70000114.1Q1278 L1279 K1285Q1278-S1281 PolarHBondContact O-N 3.06Å; Q1278-S1281 PolarHBondContact O-OG 2.82Å; L1279-S1281 VanDerWaalsContact C-N 3.28Å; S1281-K1285 VanDerWaalsContact O-CE 3.3Å; S1281-K1285 WeakPolarHBondContact O-CE 3.46Å
1282E37Very low32.6Very low111 Ų111120.3 Ų120.352%0.51967%0.665SS.*Hα-helixtrans-97.9-30.4177.7-74.2-65107.600112.8R1284 K1285E1282-R1284 PolarHBondContact O-N 2.58Å; E1282-K1285 PolarHBondContact O-N 3.38Å; E1282-K1285 IonicContact OE1-NZ 3.92Å; E1282-K1285 PolarHBondContact OE1-NZ 2.79Å
1283L34.3Very low32.6Very low136 Ų136117.2 Ų117.271%0.71267%0.669SS**THydrogen-bonded Turntrans-64.4-9.2177.4-102.984.6000114.5L1279L1279-L1283 WeakPolarHBondContact O-CD1 3.22Å
1284R35.7Very low32.6Very low192 Ų192117.4 Ų117.473%0.72567%0.67SS**THydrogen-bonded Turntrans-10610.4-179.7-55.5-172.6-165.6-161.48114.7D1280 E1282D1280-R1284 IonicContact OD1-CZ 3.8Å; D1280-R1284 IonicContact OD1-NE 2.69Å; D1280-R1284 PolarHBondContact OD1-NE 2.89Å; D1280-R1284 IonicContact OD1-NH2 2.66Å; D1280-R1284 PolarHBondContact OD1-NH2 2.82Å; D1280-R1284 IonicContact OD2-CZ 2.73Å; D1280-R1284 IonicContact OD2-NE 3.98Å; D1280-R1284 IonicContact OD2-NH2 3.46Å; D1280-R1284 PolarHBondContact OD2-NH2 2.87Å; E1282-R1284 PolarHBondContact O-N 2.58Å
1285K32.7Very low32.9Very low144 Ų144117.5 Ų117.563%0.62668%0.677SS**SBendtrans-108.91.3-176.1-69.3-179.2-167.9156.50116.4S1281 E1282S1281-K1285 VanDerWaalsContact O-CE 3.3Å; S1281-K1285 WeakPolarHBondContact O-CE 3.46Å; E1282-K1285 PolarHBondContact O-N 3.38Å; E1282-K1285 IonicContact OE1-NZ 3.92Å; E1282-K1285 PolarHBondContact OE1-NZ 2.79Å
1286V28.9Very low32.6Very low135 Ų135116.4 Ų116.482%0.81868%0.675SS**  trans-122.971.1-179-77.30000113.2
1287S29.8Very low32.5Very low122 Ų122115.1 Ų115.185%0.85367%0.673SS**  trans-142.4104155.1-174.30000108.2
1288G33Very low32.2Very low56 Ų56116.7 Ų116.758%0.57768%0.683SS**  trans-126.6118.6-175.500000111.2Q166Q166-G1288 VanDerWaalsContact CB-O 3.29Å; Q166-G1288 WeakPolarHBondContact CB-O 3.48Å
1289V29.8Very low31.9Very low78 Ų78116.1 Ų116.147%0.47369%0.688SS.*  trans-139.8124.3170.1-178.40000107Q166Q166-V1289 HydrophobicContact CB-CG2 4.12Å
1290S29.6Very low31.6Very low76 Ų76118 Ų11853%0.53169%0.694SS.*  trans-84.2137-167.5-55.60000113.6
1291H33.6Very low31.4Very low197 Ų197119 Ų11991%0.91271%0.708SS**  trans-139.8145147.9-88-54.2000110.6
1292S29.9Very low31.1Very low119 Ų119124.3 Ų124.383%0.83273%0.732SS**  trans-112135.7-164.349.10000113.1
1293A31.6Very low30.9Very low102 Ų102124.1 Ų124.184%0.84374%0.738SS**  trans-165.2123.2148.800000110.6
1294S28.1Very low30.6Very low117 Ų117121.7 Ų121.782%0.81873%0.732SS**  trans-100.4154.7155.8-48.30000107.6
1295P36.3Very low30.3Very low122 Ų122120.7 Ų120.779%0.79274%0.738SS**  -145.2164.880.537.6-20.5000116.9
1296S28.6Very low30Very low100 Ų100119.4 Ų119.470%0.69974%0.742SS**  trans-25.2165.4148.9-39.10000116.5
1297T29.9Very low30.6Very low124 Ų124118 Ų11876%0.76174%0.736SS**  cis-171.718033.1-26.50000111.5
1298V28.8Very low30.4Very low123 Ų123120.6 Ų120.675%0.74574%0.735SS**  trans65.3148.5162.1-106.60000117.9
1299V29.8Very low30.3Very low126 Ų126123.5 Ų123.576%0.76474%0.741SS**  cis-136.9155.78.1-1620000112.6
1300E27.7Very low30.3Very low158 Ų158127.9 Ų127.974%0.73876%0.76SS**  trans-52.2154.5162.2-74.5137.612300114.7
1301S29.1Very low30.7Very low110 Ų110129.3 Ų129.377%0.76977%0.768SS**  cis77.59746.7-52.10000115.2
1302L29.6Very low30.5Very low163 Ų163127.9 Ų127.985%0.85377%0.766SS**  trans-159.2153.1169.6-74177.4000108.4
1303T31.7Very low30.5Very low107 Ų107126 Ų12666%0.65676%0.758SS**  cis-159.6130-25.218.20000105.5
1304S27.7Very low30.2Very low84 Ų84126.5 Ų126.559%0.58775%0.754SS**  72.7138.477.996.60000116.5
1305M29.4Very low30.2Very low171 Ų171129.5 Ų129.584%0.84276%0.755SS**  trans-150.4148.1138.4-97.2-58.5108.200108.2
1306T27.6Very low30Very low117 Ų117129.9 Ų129.972%0.71876%0.755SS**  trans-144.5-160.8-167.849.40000110
1307P40.2Very low30Very low107 Ų107131.1 Ų131.170%0.69576%0.758SS**  -121.5-177.6-78.837.6-22.8000112.7
1308Q27.3Very low30.3Very low176 Ų176130.8 Ų130.882%0.82276%0.758SS**  167.1155.4127.7-94.1-17345.800115.7
1309T29.1Very low30.4Very low117 Ų117129.3 Ų129.372%0.71876%0.759SS**  trans69.7123.7153.6-56.30000120.7
1310I31.3Very low30.5Very low170 Ų170127.9 Ų127.987%0.87276%0.755SS**  trans-146.4131.7173.7-70.5176.1000111
1311P38.4Very low30.8Very low105 Ų105128.5 Ų128.568%0.68276%0.761SS**  trans-141.2148166.238.2-21.4000118
1312L29.3Very low30.8Very low167 Ų167126.2 Ų126.287%0.87476%0.755SS**  trans58.6114.6144.2-9466.1000124.4
1313A29.3Very low30.7Very low81 Ų81128.1 Ų128.167%0.66976%0.76SS**  82.9119.5109.100000125.3
1314C25.6Very low30.4Very low112 Ų112127.1 Ų127.176%0.75776%0.763SS**  85.3124124.9-72.30000124.7
1315Q27.3Very low31.1Very low179 Ų179129.1 Ų129.184%0.83677%0.773SS**  trans67.9153.5149.3-58.6-178.86.500117.4
1316T31.7Very low30.8Very low130 Ų130125.5 Ų125.580%0.79877%0.771SS**  cis-141.8160.616.1-40.50000112.2
1317V28.4Very low30.7Very low126 Ų126125.6 Ų125.676%0.76477%0.771SS**  trans-91.2166.5175.2-141.30000111.1
1318P37Very low29.9Very low118 Ų118128 Ų12877%0.76678%0.776SS**  -153.4161.386.240.2-21.6000118.1
1319A31.7Very low29.9Very low91 Ų91123.8 Ų123.875%0.75277%0.772SS**  trans66.8144.3155.500000119
1320S31.3Very low29.6Very low97 Ų97123 Ų12368%0.67878%0.777SS**  cis-156.1148.50.2-129.30000112.9
1321I33.5Very low29.3Very low170 Ų170119.4 Ų119.487%0.87277%0.773SS**  trans49.9121.8150.6-54.8156.2000117.4
1322G29.8Very low28.9Very low63 Ų63123 Ų12365%0.64978%0.78SS**  cis-172.9147.3-2.900000107
1323Q27.1Very low28.7Very low202 Ų202119.5 Ų119.594%0.94478%0.775SS**  41.8127.973.3-78.6-166.6-4.100114.1
1324A26.3Very low28.3Very low87 Ų87120.4 Ų120.472%0.71978%0.783SS**  cis-152.5168.23.600000111.1
1325P41.9Very low28.5Very low125 Ų125120.2 Ų120.281%0.81278%0.783SS**  trans-93.6-163.8-172.739.9-37.3000113.3
1326A23.9Very low28.5Very low95 Ų95118.1 Ų118.179%0.78578%0.776SS**  trans84.6153.2169.700000114.5
1327V24.3Very low28.4Very low119 Ų119119 Ų11972%0.72177%0.774SS**  cis-164.6152.9-0.293.60000112.8
1328I23.6Very low28.9Very low157 Ų157118.1 Ų118.181%0.80577%0.771SS**  trans65164.1158.4-69.7165.3000118.9
1329A28Very low28.6Very low89 Ų89119.6 Ų119.674%0.73677%0.773SS**  trans95.6106.7170.400000114.3
1330A23Very low28.6Very low99 Ų99118.9 Ų118.982%0.81877%0.767SS**  cis102.8149.937.300000112.4
1331A24.1Very low28.4Very low96 Ų96119 Ų11979%0.79377%0.768SS**  trans-70.2126.6-162.900000114.8
1332H31Very low28.3Very low181 Ų181117 Ų11784%0.83876%0.763SS**  trans-137.3125.9148.6-85.2-87.3000106.6
1333A23.6Very low28.2Very low92 Ų92119.8 Ų119.876%0.7677%0.77SS**  73.3127.664.700000111.9
1334A22.3Very low28.1Very low101 Ų101117.1 Ų117.184%0.83576%0.758SS**  trans-87.4140.7-163.800000114.4
1335S28.3Very low28.4Very low108 Ų108118.3 Ų118.376%0.75576%0.761SS**  trans-156.6106.1157.9-166.30000106.7
1336L27.6Very low27.8Very low134 Ų134117.5 Ų117.570%0.70276%0.755SS**  72108.772.1-63.5170000111.8
1337I29.6Very low28Very low148 Ų148118.3 Ų118.376%0.75976%0.755SS**  87154.276.1-90.8-175.4000111.9
1338P39.4Very low28.3Very low108 Ų108123.4 Ų123.470%0.70176%0.762SS**  cis-97.2-160.80.543.2-37.4000111.8
1339N31.1Very low28.3Very low150 Ų150122.8 Ų122.880%0.80276%0.759SS**  cis-153.4177.52.9-143.21.5000107.5
1340A30.6Very low28.1Very low76 Ų76125 Ų12563%0.62876%0.759SS**  cis-156.4-178.80.400000107.5
1341S28.2Very low28.3Very low99 Ų99125.2 Ų125.269%0.69276%0.76SS**  cis-155.3132.5-3.7-1500000109.5
1342V31.4Very low28.3Very low128 Ų128129.2 Ų129.278%0.77676%0.763SS**  trans65.5146.5159.9-179.70000117.9
1343P28.1Very low28.2Very low122 Ų122127.6 Ų127.679%0.79277%0.765SS**  cis-104.7179.8-9.6184.2000113.2
1344Q24.6Very low28.4Very low146 Ų146126.3 Ų126.368%0.68276%0.761SS**  trans-125.3162.3-168.1-67.3174.6-42.600114.3S1146S1146-Q1344 VanDerWaalsContact CB-OE1 3.3Å; S1146-Q1344 PolarHBondContact OG-NE2 2.83Å; S1146-Q1344 PolarHBondContact OG-OE1 3.32Å
1345S32.1Very low28.9Very low112 Ų112130.2 Ų130.278%0.78377%0.767SS**  trans-89169.2166.152.90000112.5
1346P28.7Very low28.9Very low107 Ų107129.8 Ų129.870%0.69577%0.77SS**  trans-132.4170.5147.638.7-27.4000112.7
1347S28.5Very low29.4Very low113 Ų113125 Ų12579%0.7975%0.753SS**  trans-148.6123.4175.161.60000114.2
1348R30.4Very low29.8Very low226 Ų226124.4 Ų124.485%0.85375%0.751SS**  trans62.9122.2146.7-165.5176-167.5179.65.2119.4
1349L24.5Very low29.9Very low143 Ų143125.5 Ų125.575%0.74975%0.746SS**  -164.2132.2114.3-95.9170.6000111
1350D23.1Very low30.6Very low137 Ų137125.2 Ų125.273%0.73374%0.74SS**  trans51.4176.3148.5-55.4-9.6000123.5
1351A26.8Very low31.4Very low103 Ų103129.2 Ų129.285%0.85174%0.743SS**  trans80.3138.9-175.400000118
1352E24.5Very low32.4Very low180 Ų180130.2 Ų130.284%0.84174%0.74SS**  trans-95.2179.5-170.6-57.5176.8108.200113.3
1353T29Very low33Very low146 Ų146128.8 Ų128.890%0.89673%0.725SS**  trans73.1144.217676.40000115.6
1354G28.4Very low34.4Very low65 Ų65125.9 Ų125.967%0.6771%0.711SS**  cis-163.5162.9-4.700000112A1356G1354-A1356 PolarHBondContact O-N 3.15Å
1355L31.2Very low35.3Very low184 Ų184125 Ų12596%0.96371%0.71SS**  trans-79.255.9-175.6-77.1164.1000113.3
1356A29.9Very low36.4Very low99 Ų99125.9 Ų125.982%0.81870%0.7SS**  trans-101.1135.8170.700000110.6G1354G1354-A1356 PolarHBondContact O-N 3.15Å
1357G37.2Very low37.5Very low32 Ų32127.3 Ų127.333%0.3370%0.699SS.*SBendtrans120.5-8.3-179.300000115.7
1358L37.7Very low38.8Very low137 Ų137125.2 Ų125.272%0.71768%0.677SS**Hα-helixtrans-76.4-33.1171.3-136.7165.4000111.4L1362L1358-L1362 PolarHBondContact O-N 3.49Å
1359H41.6Very low39.6Very low130 Ų130120.2 Ų120.260%0.60266%0.663SS**Hα-helixtrans-63.2-50.1174.1-162.2-83.6000112K1361 L1362 E1363H1359-K1361 VanDerWaalsContact C-N 3.33Å; H1359-K1361 PolarHBondContact O-N 2.86Å; H1359-L1362 CarbonylContact O-C 3.42Å; H1359-L1362 WeakPolarHBondContact O-CA 3.29Å; H1359-L1362 WeakPolarHBondContact O-CB 3.49Å; H1359-L1362 PolarHBondContact O-N 3Å; H1359-E1363 IonicContact CE1-OE1 3.33Å; H1359-E1363 PolarHBondContact CE1-OE1 3.24Å; H1359-E1363 IonicContact CE1-OE2 3.09Å; H1359-E1363 PolarHBondContact CE1-OE2 3.16Å; H1359-E1363 VanDerWaalsContact CE1-OE2 3.25Å; H1359-E1363 IonicContact CG-OE2 2.73Å; H1359-E1363 IonicContact ND1-OE1 3.43Å; H1359-E1363 IonicContact ND1-OE2 3.88Å; H1359-E1363 PolarHBondContact ND1-OE2 3.14Å; H1359-E1363 PolarHBondContact O-N 2.86Å
1360E45.5Very low40.4Very low144 Ų144117.6 Ų117.667%0.67365%0.65SS**Hα-helixtrans-60.9-38.3-177.3-171.3177.5-166.100112.6L1362 A1364E1360-L1362 VanDerWaalsContact C-N 3.35Å; E1360-A1364 WeakPolarHBondContact O-CB 3.47Å; E1360-A1364 PolarHBondContact O-N 2.86Å
1361K48.1Very low41.2Very low161 Ų161119.1 Ų119.170%0.765%0.646SS**Hα-helixtrans-71.3-27.3172.8-75.8-174.2175.6179.10113.7H1359 L1365H1359-K1361 VanDerWaalsContact C-N 3.33Å; H1359-K1361 PolarHBondContact O-N 2.86Å; K1361-L1365 WeakPolarHBondContact O-CG 3.47Å; K1361-L1365 PolarHBondContact O-N 3.4Å
1362L49.4Very low42Very low119 Ų119123 Ų12362%0.62364%0.638SS**Hα-helixtrans-76.7-37.8175.3-164.567.4000111.1L1358 H1359 E1360 L1365 K1366L1358-L1362 PolarHBondContact O-N 3.49Å; H1359-L1362 CarbonylContact O-C 3.42Å; H1359-L1362 WeakPolarHBondContact O-CA 3.29Å; H1359-L1362 WeakPolarHBondContact O-CB 3.49Å; H1359-L1362 PolarHBondContact O-N 3Å; E1360-L1362 VanDerWaalsContact C-N 3.35Å; L1362-L1365 PolarHBondContact O-N 3.48Å; L1362-K1366 WeakPolarHBondContact O-CB 3.49Å; L1362-K1366 PolarHBondContact O-N 2.96Å
1363E43.8Very low42.6Very low99 Ų99121.9 Ų121.946%0.46363%0.633SS.*Hα-helixtrans-67.5-40.3171.6-75.4176.9124.300112.2H1359 L1365 K1366 M1367H1359-E1363 IonicContact CE1-OE1 3.33Å; H1359-E1363 PolarHBondContact CE1-OE1 3.24Å; H1359-E1363 IonicContact CE1-OE2 3.09Å; H1359-E1363 PolarHBondContact CE1-OE2 3.16Å; H1359-E1363 VanDerWaalsContact CE1-OE2 3.25Å; H1359-E1363 IonicContact CG-OE2 2.73Å; H1359-E1363 IonicContact ND1-OE1 3.43Å; H1359-E1363 IonicContact ND1-OE2 3.88Å; H1359-E1363 PolarHBondContact ND1-OE2 3.14Å; H1359-E1363 PolarHBondContact O-N 2.86Å; E1363-L1365 VanDerWaalsContact C-N 3.32Å; E1363-L1365 PolarHBondContact O-N 2.83Å; E1363-K1366 PolarHBondContact O-N 3.47Å; E1363-K1366 VanDerWaalsContact O-N 3.14Å; E1363-M1367 WeakPolarHBondContact O-CG 3.36Å; E1363-M1367 PolarHBondContact O-N 3.17Å
1364A58.2Low42.6Very low61 Ų61122.2 Ų122.250%0.50463%0.629SS.*Hα-helixtrans-60.8-40174.100000112.5E1360 E1368E1360-A1364 WeakPolarHBondContact O-CB 3.47Å; E1360-A1364 PolarHBondContact O-N 2.86Å; A1364-E1368 PolarHBondContact O-N 2.82Å
1365L43.3Very low43Very low127 Ų127127.8 Ų127.867%0.66564%0.64SS**Hα-helixtrans-69.7-34173.7-79.3168.8000112.6K1361 L1362 E1363 Q1369K1361-L1365 WeakPolarHBondContact O-CG 3.47Å; K1361-L1365 PolarHBondContact O-N 3.4Å; L1362-L1365 PolarHBondContact O-N 3.48Å; E1363-L1365 VanDerWaalsContact C-N 3.32Å; E1363-L1365 PolarHBondContact O-N 2.83Å; L1365-Q1369 PolarHBondContact O-N 2.88Å
1366K54.6Low43Very low130 Ų130122.4 Ų122.457%0.56563%0.629SS**Hα-helixtrans-69.1-42.6174.9-167.7177.5177.6-172.10111.8L1362 E1363 E1368 Q1369 D1370L1362-K1366 WeakPolarHBondContact O-CB 3.49Å; L1362-K1366 PolarHBondContact O-N 2.96Å; E1363-K1366 PolarHBondContact O-N 3.47Å; E1363-K1366 VanDerWaalsContact O-N 3.14Å; K1366-E1368 PolarHBondContact O-N 2.77Å; K1366-Q1369 WeakPolarHBondContact O-CA 3.44Å; K1366-Q1369 WeakPolarHBondContact O-CB 3.22Å; K1366-Q1369 PolarHBondContact O-N 3.27Å; K1366-Q1369 VanDerWaalsContact O-N 3.07Å; K1366-D1370 PolarHBondContact O-N 2.69Å
1367M51.2Low43Very low137 Ų137125.1 Ų125.168%0.67563%0.63SS**Hα-helixtrans-62.4-40.3176.8-74.9-170.8177.100112.7E1363 Q1369 D1370 R1371E1363-M1367 WeakPolarHBondContact O-CG 3.36Å; E1363-M1367 PolarHBondContact O-N 3.17Å; M1367-Q1369 PolarHBondContact O-N 3.34Å; M1367-D1370 PolarHBondContact O-N 3Å; M1367-R1371 WeakPolarHBondContact O-CB 3.35Å; M1367-R1371 PolarHBondContact O-N 3.42Å
1368E55.4Low42.6Very low69 Ų69131 Ų13132%0.32265%0.654SS.*Hα-helixtrans-76.4-9.8175.2177.554.7-157.900113.3A1364 K1366 R1371 R1372A1364-E1368 PolarHBondContact O-N 2.82Å; K1366-E1368 PolarHBondContact O-N 2.77Å; E1368-R1371 IonicContact OE1-NH2 2.68Å; E1368-R1371 IonicContact OE2-CZ 2.73Å; E1368-R1371 IonicContact OE2-NE 3.58Å; E1368-R1371 PolarHBondContact OE2-NE 3.03Å; E1368-R1371 IonicContact OE2-NH2 3.16Å; E1368-R1371 PolarHBondContact OE2-NH2 3.07Å; E1368-R1372 WeakPolarHBondContact O-CG 3.46Å; E1368-R1372 PolarHBondContact O-NE 2.87Å; E1368-R1372 IonicContact OE1-CZ 2.61Å; E1368-R1372 IonicContact OE1-NE 3.19Å; E1368-R1372 PolarHBondContact OE1-NE 3.24Å; E1368-R1372 IonicContact OE1-NH2 2.69Å; E1368-R1372 PolarHBondContact OE1-NH2 3.16Å
1369Q48.8Very low42.4Very low122 Ų122129.5 Ų129.557%0.5766%0.661SS**Hα-helixtrans-83.1-50.6164.5-175.4168.5-11.500111.2L1365 K1366 M1367 R1371 R1372L1365-Q1369 PolarHBondContact O-N 2.88Å; K1366-Q1369 WeakPolarHBondContact O-CA 3.44Å; K1366-Q1369 WeakPolarHBondContact O-CB 3.22Å; K1366-Q1369 PolarHBondContact O-N 3.27Å; K1366-Q1369 VanDerWaalsContact O-N 3.07Å; M1367-Q1369 PolarHBondContact O-N 3.34Å; Q1369-R1371 PolarHBondContact O-N 2.82Å; Q1369-R1372 WeakPolarHBondContact O-CB 3.44Å; Q1369-R1372 PolarHBondContact O-N 3.17Å
1370D40.2Very low41.9Very low88 Ų88131.8 Ų131.847%0.47168%0.676SS.*Hα-helixtrans-59.2-35.1177.6-65.9-19000111K1366 M1367 R1372 E1373K1366-D1370 PolarHBondContact O-N 2.69Å; M1367-D1370 PolarHBondContact O-N 3Å; D1370-R1372 PolarHBondContact O-N 3.06Å; D1370-E1373 PolarHBondContact O-N 3.22Å
1371R40.5Very low41.1Very low169 Ų169127.7 Ų127.764%0.63867%0.672SS**THydrogen-bonded Turntrans-70.47.1175-150.8-169.568.2726.3114.8M1367 E1368 Q1369M1367-R1371 WeakPolarHBondContact O-CB 3.35Å; M1367-R1371 PolarHBondContact O-N 3.42Å; E1368-R1371 IonicContact OE1-NH2 2.68Å; E1368-R1371 IonicContact OE2-CZ 2.73Å; E1368-R1371 IonicContact OE2-NE 3.58Å; E1368-R1371 PolarHBondContact OE2-NE 3.03Å; E1368-R1371 IonicContact OE2-NH2 3.16Å; E1368-R1371 PolarHBondContact OE2-NH2 3.07Å; Q1369-R1371 PolarHBondContact O-N 2.82Å
1372R44Very low40.2Very low184 Ų184126.2 Ų126.269%0.69468%0.677SS**THydrogen-bonded Turntrans-114.9-6.1174.2-67.1179.4-178.4-148.2-1.3114.2E1368 Q1369 D1370E1368-R1372 WeakPolarHBondContact O-CG 3.46Å; E1368-R1372 PolarHBondContact O-NE 2.87Å; E1368-R1372 IonicContact OE1-CZ 2.61Å; E1368-R1372 IonicContact OE1-NE 3.19Å; E1368-R1372 PolarHBondContact OE1-NE 3.24Å; E1368-R1372 IonicContact OE1-NH2 2.69Å; E1368-R1372 PolarHBondContact OE1-NH2 3.16Å; Q1369-R1372 WeakPolarHBondContact O-CB 3.44Å; Q1369-R1372 PolarHBondContact O-N 3.17Å; D1370-R1372 PolarHBondContact O-N 3.06Å
1373E35.9Very low39.4Very low156 Ų156127.3 Ų127.373%0.72969%0.689SS**THydrogen-bonded Turntrans-103.9-4.2179.8-62.2-170.5178.500113.2D1370D1370-E1373 PolarHBondContact O-N 3.22Å
1374D30.6Very low38.7Very low153 Ų153128.3 Ų128.382%0.81870%0.702SS**SBendtrans-115.448.4-176.7-158.325.1000113.7
1375M35.3Very low37.4Very low182 Ų182131.4 Ų131.490%0.89771%0.714SS**  trans-140.7103168.2-84.3-82.8-71.700107.6
1376G31.7Very low37Very low71 Ų71133.1 Ų133.173%0.73272%0.724SS**  trans-98-168.5-16000000118.3
1377D30.8Very low35.7Very low157 Ų157130 Ų13084%0.8473%0.729SS**  trans81.6113.6156.2-56.1-11.4000121.2
1378D28.2Very low34.7Very low155 Ų155131.6 Ų131.683%0.82973%0.733SS**  trans52.797.9136.3-69.9-17.7000121.8
1379A32.9Very low33.4Very low106 Ų106136.7 Ų136.788%0.87676%0.762SS**  trans-144.4115.5141.100000111.8
1380I31.2Very low32.6Very low178 Ų178137.6 Ų137.691%0.91377%0.766SS**  trans-88.4131.1175.9-61.1171.6000110
1381G29.1Very low32.4Very low58 Ų58137.8 Ų137.860%0.59877%0.766SS**  trans126.396.1150.400000118.3
1382T29.2Very low32.2Very low130 Ų130133.9 Ų133.980%0.79876%0.762SS**  trans46.3105.8138.359.60000119.7
1383T32.7Very low31.9Very low141 Ų141131.5 Ų131.587%0.86576%0.762SS**  -174.1142.294.923.90000114.4
1384T29.1Very low32.1Very low121 Ų121130 Ų13074%0.74276%0.759SS**  trans-57.3158.6164.143.50000113
1385T31.1Very low32.7Very low125 Ų125127 Ų12777%0.76775%0.746SS**  cis-163.6159.18.710.70000107.1
1386D33.7Very low32.7Very low163 Ų163123.4 Ų123.487%0.87273%0.73SS**  177.6166.869.6-163.93.4000111.1
1387G28.4Very low33.2Very low65 Ų65126.6 Ų126.667%0.6772%0.724SS**  trans9253.8145.600000120.9
1388K30.5Very low34Very low171 Ų171120.9 Ų120.974%0.74370%0.703SS**  trans-142.4120.2159.5-106.7-173.7165.8-1610113.1E1390K1388-E1390 HydrophobicContact CD-CG 4.44Å; K1388-E1390 WeakPolarHBondContact CD-OE1 3.34Å; K1388-E1390 IonicContact NZ-OE1 3.77Å; K1388-E1390 PolarHBondContact NZ-OE1 3.33Å; K1388-E1390 PolarHBondContact O-N 2.88Å; K1388-E1390 VanDerWaalsContact O-N 3.12Å
1389D28.6Very low34.5Very low175 Ų175118.7 Ų118.794%0.93669%0.69SS**  trans-78.878.4167.3-72.8-55.5000110.3
1390E31.5Very low34.8Very low142 Ų142116.6 Ų116.666%0.66467%0.673SS**PPolyproline II helixtrans-85.9127.3169.3-79.4179.4-175.800111K1388K1388-E1390 HydrophobicContact CD-CG 4.44Å; K1388-E1390 WeakPolarHBondContact CD-OE1 3.34Å; K1388-E1390 IonicContact NZ-OE1 3.77Å; K1388-E1390 PolarHBondContact NZ-OE1 3.33Å; K1388-E1390 PolarHBondContact O-N 2.88Å; K1388-E1390 VanDerWaalsContact O-N 3.12Å
1391I34.9Very low35.5Very low92 Ų92113.2 Ų113.247%0.47265%0.653SS.*PPolyproline II helixtrans-69.4129.5-177.6-61.9169.8000108.3I1393 L1396I1391-I1393 PolarHBondContact O-N 2.97Å; I1391-I1393 VanDerWaalsContact O-N 3.14Å; I1391-L1396 HydrophobicContact CG2-CD1 4.05Å
1392P37.4Very low36Very low86 Ų86113 Ų11356%0.55865%0.646SS**PPolyproline II helixtrans-60.3121.7-179.922.1-31.3000110.5D1394 T1395P1392-D1394 PolarHBondContact O-N 3.16Å; P1392-D1394 VanDerWaalsContact O-N 3.1Å; P1392-T1395 WeakPolarHBondContact O-CB 3.31Å; P1392-T1395 PolarHBondContact O-N 2.98Å; P1392-T1395 PolarHBondContact O-OG1 3.14Å
1393I37.1Very low36.3Very low135 Ų135111.1 Ų111.169%0.69263%0.63SS**THydrogen-bonded Turntrans-58.9-28.3-166.8-68.6171000112.3I1391 T1395 L1396 K1397I1391-I1393 PolarHBondContact O-N 2.97Å; I1391-I1393 VanDerWaalsContact O-N 3.14Å; I1393-T1395 PolarHBondContact O-N 2.89Å; I1393-T1395 VanDerWaalsContact O-N 3.11Å; I1393-L1396 PolarHBondContact O-N 3.41Å; I1393-K1397 PolarHBondContact O-N 3.5Å
1394D40.4Very low36.5Very low125 Ų125106 Ų10667%0.66861%0.605SS**Hα-helixtrans-55.4-27.8173-56.3-56.6000113.3P1392 K1397 G1398P1392-D1394 PolarHBondContact O-N 3.16Å; P1392-D1394 VanDerWaalsContact O-N 3.1Å; D1394-K1397 PolarHBondContact O-N 2.98Å; D1394-G1398 PolarHBondContact O-N 2.94Å
1395T43.8Very low37.2Very low88 Ų88107.3 Ų107.354%0.5460%0.6SS.*Hα-helixtrans-70.7-40.2176.8-39.40000111.6P1392 I1393 L1399P1392-T1395 WeakPolarHBondContact O-CB 3.31Å; P1392-T1395 PolarHBondContact O-N 2.98Å; P1392-T1395 PolarHBondContact O-OG1 3.14Å; I1393-T1395 PolarHBondContact O-N 2.89Å; I1393-T1395 VanDerWaalsContact O-N 3.11Å; T1395-L1399 WeakPolarHBondContact O-CB 3.26Å; T1395-L1399 PolarHBondContact O-N 2.93Å; T1395-L1399 VanDerWaalsContact O-N 3.1Å
1396L34.7Very low37.5Very low108 Ų108106.3 Ų106.357%0.56559%0.594SS**Hα-helixtrans-72.9-37.1173.2-82.395.5000111.1I1391 I1393 L1399 A1400I1391-L1396 HydrophobicContact CG2-CD1 4.05Å; I1393-L1396 PolarHBondContact O-N 3.41Å; L1396-L1399 PolarHBondContact O-N 2.87Å; L1396-A1400 VanDerWaalsContact O-CB 3.31Å; L1396-A1400 WeakPolarHBondContact O-CB 3.4Å; L1396-A1400 PolarHBondContact O-N 3.49Å
1397K42.7Very low37.5Very low137 Ų137104.4 Ų104.460%0.59658%0.582SS**Hα-helixtrans-63.2-45176.9-163.3171.6-176.6175.60111.7I1393 D1394 A1400 E1401I1393-K1397 PolarHBondContact O-N 3.5Å; D1394-K1397 PolarHBondContact O-N 2.98Å; K1397-A1400 PolarHBondContact O-N 3.47Å; K1397-E1401 PolarHBondContact O-N 2.91Å
1398G47.8Very low37.7Very low38 Ų38108.9 Ų108.939%0.39259%0.586SS.*Hα-helixtrans-64.8-37.1173.700000113.4D1394 A1402D1394-G1398 PolarHBondContact O-N 2.94Å; G1398-A1402 WeakPolarHBondContact O-CB 3.45Å; G1398-A1402 PolarHBondContact O-N 3.04Å
1399L37.1Very low37.8Very low109 Ų109105.2 Ų105.257%0.57159%0.588SS**Hα-helixtrans-68.3-39.3174-164.875.5000111.8T1395 L1396 A1402 L1403T1395-L1399 WeakPolarHBondContact O-CB 3.26Å; T1395-L1399 PolarHBondContact O-N 2.93Å; T1395-L1399 VanDerWaalsContact O-N 3.1Å; L1396-L1399 PolarHBondContact O-N 2.87Å; L1399-A1402 PolarHBondContact O-N 3.06Å; L1399-L1403 HydrophobicContact CD2-CD1 4.49Å; L1399-L1403 HydrophobicContact CG-CD1 4.14Å; L1399-L1403 WeakPolarHBondContact O-CB 3.38Å; L1399-L1403 WeakPolarHBondContact O-CG 3.43Å; L1399-L1403 PolarHBondContact O-N 3.31Å
1400A40.4Very low37.7Very low61 Ų61103.3 Ų103.350%0.50458%0.577SS.*Hα-helixtrans-67.1-40.2176.100000112.1L1396 K1397 G1404L1396-A1400 VanDerWaalsContact O-CB 3.31Å; L1396-A1400 WeakPolarHBondContact O-CB 3.4Å; L1396-A1400 PolarHBondContact O-N 3.49Å; K1397-A1400 PolarHBondContact O-N 3.47Å; A1400-G1404 PolarHBondContact O-N 2.79Å
1401E46.3Very low37.9Very low108 Ų10899.5 Ų99.551%0.50558%0.576SS.*Hα-helixtrans-64.3-39.7170.8-84.2-160.476.400112.7K1397 K1405K1397-E1401 PolarHBondContact O-N 2.91Å; E1401-K1405 WeakPolarHBondContact O-CB 3.47Å; E1401-K1405 WeakPolarHBondContact O-CD 3.42Å; E1401-K1405 VanDerWaalsContact O-CG 3.28Å; E1401-K1405 WeakPolarHBondContact O-CG 3.48Å; E1401-K1405 PolarHBondContact O-N 3.48Å; E1401-K1405 IonicContact OE1-NZ 2.75Å; E1401-K1405 PolarHBondContact OE1-NZ 3.48Å
1402A38.8Very low37.5Very low53 Ų53105.3 Ų105.344%0.43859%0.592SS.*Hα-helixtrans-66.8-42177.500000111.8G1398 L1399 K1405 V1406G1398-A1402 WeakPolarHBondContact O-CB 3.45Å; G1398-A1402 PolarHBondContact O-N 3.04Å; L1399-A1402 PolarHBondContact O-N 3.06Å; A1402-K1405 PolarHBondContact O-N 3.07Å; A1402-V1406 WeakPolarHBondContact O-CG2 3.26Å; A1402-V1406 PolarHBondContact O-N 2.72Å
1403L35.1Very low37.1Very low91 Ų91110 Ų11048%0.47661%0.606SS.*Hα-helixtrans-69.3-40.7175.1-72.4167.4000111.7L1399 K1405 V1406 I1407L1399-L1403 HydrophobicContact CD2-CD1 4.49Å; L1399-L1403 HydrophobicContact CG-CD1 4.14Å; L1399-L1403 WeakPolarHBondContact O-CB 3.38Å; L1399-L1403 WeakPolarHBondContact O-CG 3.43Å; L1399-L1403 PolarHBondContact O-N 3.31Å; L1403-K1405 VanDerWaalsContact C-N 3.29Å; L1403-K1405 PolarHBondContact O-N 2.87Å; L1403-V1406 CarbonylContact O-C 3.6Å; L1403-V1406 PolarHBondContact O-N 2.99Å; L1403-I1407 HydrophobicContact CB-CD1 4.28Å; L1403-I1407 WeakPolarHBondContact O-CB 3.46Å; L1403-I1407 WeakPolarHBondContact O-CG1 3.25Å; L1403-I1407 PolarHBondContact O-N 3.42Å
1404G38.1Very low36.8Very low32 Ų32108.7 Ų108.733%0.3361%0.605SS.*Hα-helixtrans-57.8-40.6174.100000112.7A1400 V1406 H1408A1400-G1404 PolarHBondContact O-N 2.79Å; G1404-V1406 PolarHBondContact O-N 3.5Å; G1404-H1408 PolarHBondContact O-N 2.8Å
1405K42.2Very low36.6Very low149 Ų149108.9 Ų108.965%0.64861%0.611SS**Hα-helixtrans-73.6-4.4175.6-70.7164.3-170.2157.60114.5E1401 A1402 L1403E1401-K1405 WeakPolarHBondContact O-CB 3.47Å; E1401-K1405 WeakPolarHBondContact O-CD 3.42Å; E1401-K1405 VanDerWaalsContact O-CG 3.28Å; E1401-K1405 WeakPolarHBondContact O-CG 3.48Å; E1401-K1405 PolarHBondContact O-N 3.48Å; E1401-K1405 IonicContact OE1-NZ 2.75Å; E1401-K1405 PolarHBondContact OE1-NZ 3.48Å; A1402-K1405 PolarHBondContact O-N 3.07Å; L1403-K1405 VanDerWaalsContact C-N 3.29Å; L1403-K1405 PolarHBondContact O-N 2.87Å
1406V37Very low36Very low105 Ų105109.4 Ų109.464%0.63662%0.616SS**Hα-helixtrans-115.1-22.9176.61730000112.2A1402 L1403 G1404A1402-V1406 WeakPolarHBondContact O-CG2 3.26Å; A1402-V1406 PolarHBondContact O-N 2.72Å; L1403-V1406 CarbonylContact O-C 3.6Å; L1403-V1406 PolarHBondContact O-N 2.99Å; G1404-V1406 PolarHBondContact O-N 3.5Å
1407I34.3Very low35.6Very low122 Ų122112.1 Ų112.163%0.62663%0.627SS**Hα-helixtrans-90.8-27.2177.7-66.1170.2000111.2L1403 A1409L1403-I1407 HydrophobicContact CB-CD1 4.28Å; L1403-I1407 WeakPolarHBondContact O-CB 3.46Å; L1403-I1407 WeakPolarHBondContact O-CG1 3.25Å; L1403-I1407 PolarHBondContact O-N 3.42Å; I1407-A1409 VanDerWaalsContact C-N 3.34Å; I1407-A1409 PolarHBondContact O-N 2.63Å
1408H33.6Very low35.1Very low159 Ų159110.5 Ų110.574%0.73663%0.631SS**  trans-91.467.4163.1-73.3-64.9000112.1G1404G1404-H1408 PolarHBondContact O-N 2.8Å
1409A31.3Very low34.1Very low95 Ų95113.5 Ų113.579%0.78564%0.644SS**  trans-109.459.6153.500000108.1I1407I1407-A1409 VanDerWaalsContact C-N 3.34Å; I1407-A1409 PolarHBondContact O-N 2.63Å
1410D27.8Very low33.6Very low134 Ų134114.9 Ų114.972%0.71765%0.652SS**  trans-130.5152.1-174.6-153.1-9.7000110.1
1411G35.7Very low33Very low62 Ų62119 Ų11964%0.63966%0.66SS**  trans81.3101.8-155.300000110.3
1412R27.1Very low32.2Very low214 Ų214120.7 Ų120.781%0.80868%0.68SS**  cis59.838.216.8-148.5178.8-170.9172.22.2114T1414R1412-T1414 HydrophobicContact CG-CG2 4.15Å; R1412-T1414 PolarHBondContact O-N 3.49Å
1413E27.5Very low31.6Very low185 Ų185123.6 Ų123.686%0.86469%0.688SS**  trans-64.280.9141.2-74-168118.800108.6T1415E1413-T1415 PolarHBondContact O-N 3.45Å
1414T30.3Very low31.4Very low108 Ų108126 Ų12666%0.66370%0.701SS**  trans-64.2115.3152.938.90000107.1R1412 P1416R1412-T1414 HydrophobicContact CG-CG2 4.15Å; R1412-T1414 PolarHBondContact O-N 3.49Å; T1414-P1416 WeakPolarHBondContact O-CD 3.34Å
1415T37.7Very low31Very low128 Ų128129.7 Ų129.779%0.78572%0.718SS**  trans-45.4121.3-171.6-8.90000113.6E1413 M1417E1413-T1415 PolarHBondContact O-N 3.45Å; T1415-M1417 PolarHBondContact O-N 3.3Å
1416P31Very low30.4Very low100 Ų100129.5 Ų129.565%0.64972%0.723SS**  trans-78.495.9147.631-26.5000107.9T1414T1414-P1416 WeakPolarHBondContact O-CD 3.34Å
1417M25.4Very low29.9Very low164 Ų164128.6 Ų128.681%0.80873%0.727SS**PPolyproline II helixtrans-57.2144.8137.7-93.7-173.864.600107.2T1415T1415-M1417 PolarHBondContact O-N 3.3Å
1418P31.9Very low29.6Very low103 Ų103127.8 Ų127.867%0.66973%0.732SS**PPolyproline II helixtrans-64.2145-153.525.1-35.8000112.5
1419P28.3Very low29.5Very low102 Ų102126.2 Ų126.266%0.66273%0.734SS**SBendtrans-64.1163.515532.7-34.1000109.8
1420D25.6Very low29.4Very low138 Ų138129.8 Ų129.874%0.73873%0.734SS**SBendtrans75.9141.4178.1-51.8-35.5000117.5
1421H27.2Very low29.3Very low147 Ų147131 Ų13168%0.68174%0.736SS**  trans59.788.6170.4-67.1-71.2000120D1423H1421-D1423 HydrophobicContact CB-CB 4.35Å; H1421-D1423 WeakPolarHBondContact ND1-CB 3.42Å; H1421-D1423 PolarHBondContact O-N 2.94Å
1422P30.7Very low28.9Very low143 Ų143134.5 Ų134.593%0.92974%0.739SS**SBend-73.568.512237-31.1000109.9
1423D25Very low29Very low114 Ų114131.1 Ų131.161%0.6174%0.736SS**  trans-144.4160.4165.3-149.9-9.1000111.1H1421H1421-D1423 HydrophobicContact CB-CB 4.35Å; H1421-D1423 WeakPolarHBondContact ND1-CB 3.42Å; H1421-D1423 PolarHBondContact O-N 2.94Å
1424L32.7Very low29Very low143 Ų143127.3 Ų127.375%0.74973%0.729SS**  trans-74.3130.8-165.1-72152.7000112.9
1425T29.6Very low29.4Very low109 Ų109127.3 Ų127.367%0.66973%0.731SS**  14.1141.5113.567.20000116.4
1426D27.7Very low29.1Very low144 Ų144126.4 Ų126.477%0.7773%0.73SS**  cis-166.1168.98.1-146.1-49.6000108.7
1427A27Very low29.1Very low86 Ų86129.2 Ų129.271%0.71174%0.74SS**  trans-152.732.2177.600000117.9
1428S29.5Very low30Very low105 Ų105126.2 Ų126.273%0.73473%0.732SS**  trans-158.285.2153.7-81.70000110.8
1429T30.2Very low29.8Very low126 Ų126127.9 Ų127.977%0.77374%0.736SS**  48.5111.882.7-59.30000111.1
1430Q28.6Very low30Very low170 Ų170128.6 Ų128.679%0.79474%0.738SS**  cis-124.4157.744.8-52.3175.615.100112
1431Q26.7Very low30.1Very low159 Ų159129.3 Ų129.374%0.74374%0.741SS**SBendcis-141.8143.530.7-85.9-173.1-2.600115.8
1432L27.3Very low30.1Very low136 Ų136127.5 Ų127.571%0.71274%0.74SS**  trans68.7119.7146.7-87.575.2000121.9
1433I29.4Very low30.2Very low143 Ų143126.6 Ų126.673%0.73373%0.732SS**  trans80.194.4143.1-54.4167.1000118.7
1434S27.8Very low30.3Very low105 Ų105129.5 Ų129.573%0.73474%0.744SS**  39.9153.8110.1-54.50000122.7
1435P38.9Very low30.2Very low108 Ų108128 Ų12870%0.70175%0.746SS**  cis-145.6171-1937.8-17.1000118.4
1436S31.1Very low30Very low110 Ų110128.1 Ų128.177%0.76975%0.751SS**  trans65.1118138.162.60000124.9
1437N30Very low30Very low158 Ų158125.3 Ų125.385%0.84575%0.748SS**  trans-49.8171.8143.7-102.2-12.1000114
1438P44Very low30.1Very low101 Ų101127.2 Ų127.266%0.65675%0.751SS**  cis-158.7-171.848.246.1-23.5000120.9
1439D29.3Very low29.9Very low139 Ų139131.4 Ų131.474%0.74376%0.759SS**  trans97.4100.3140.9-74.5-14.4000125.3
1440V31.7Very low29.8Very low116 Ų116128.9 Ų128.970%0.70376%0.758SS**  89.2126.3111165.40000123.8
1441L26.9Very low29.8Very low154 Ų154126.5 Ų126.581%0.80676%0.76SS**  trans73.5120.6150.3-93.9169.4000123.8
1442T29.1Very low29.9Very low108 Ų108123.1 Ų123.166%0.66376%0.759SS**  153.9141.3103.4-51.10000114.5
1443T31.1Very low30Very low124 Ų124122.4 Ų122.476%0.76177%0.766SS**  trans58.8135.8164.835.70000119.4
1444M28.6Very low30Very low175 Ų175120.6 Ų120.686%0.86277%0.766SS**  cis92.1132.119.8-70.9-147.4153.700119.4
1445S29.1Very low30.2Very low112 Ų112120.8 Ų120.878%0.78376%0.763SS**  trans70.3155.5159.3-64.50000118.6
1446S26.5Very low29.8Very low111 Ų111123.8 Ų123.878%0.77677%0.769SS**  cis-167177.3-23.654.80000109.4
1447A27Very low29.8Very low86 Ų86126 Ų12671%0.71177%0.771SS**  trans-74.7168.5172.500000113.6
1448V29Very low29.7Very low125 Ų125126.3 Ų126.376%0.75877%0.767SS**  trans162.2131.2132.4155.10000112.6
1449E25.4Very low28.7Very low193 Ų193128.6 Ų128.690%0.90277%0.774SS**  trans38.5149.8151.9-62.5171.8172.700124.3
1450G29.2Very low29Very low74 Ų74129.9 Ų129.976%0.76378%0.779SS**  trans169.2116.9165.900000111.9
1451S27.9Very low28.8Very low119 Ų119131.4 Ų131.483%0.83278%0.783SS**  trans-127158.9-170.2-67.50000115.1
1452A29Very low29.1Very low89 Ų89128.1 Ų128.174%0.73678%0.779SS**  trans86.6139.1147.100000121.1
1453S29.4Very low29.1Very low120 Ų120127.7 Ų127.784%0.83978%0.78SS**  trans66157.2154.7-57.40000118.9
1454S28.5Very low29.1Very low105 Ų105127.6 Ų127.673%0.73478%0.78SS**  cis-169.4164.6-35-164.10000107.6
1455T31.5Very low29Very low110 Ų110124 Ų12468%0.67577%0.771SS**  trans-48.8151.7169.352.30000113.6
1456M32Very low28.8Very low171 Ų171123 Ų12384%0.84277%0.77SS**  cis-169.7145.2-2.5-110.6172.118000106.9
1457I30.2Very low28.9Very low156 Ų156124.9 Ų124.980%0.878%0.776SS**  trans-140.8131.4159.7-69.6-170.6000110.3
1458E27.9Very low28.8Very low165 Ų165128.2 Ų128.277%0.77178%0.782SS**  trans15.1133.5151.9-59.3166.715200121.8
1459D24.1Very low28.7Very low148 Ų148126.3 Ų126.379%0.79178%0.779SS**  trans47.8121.3130.5-54.4-10.2000122
1460I34Very low28.9Very low166 Ų166122 Ų12285%0.85177%0.771SS**  trans-151.7153.9130.7-106.4157.5000108.9
1461D28.4Very low29Very low148 Ų148127 Ų12779%0.79178%0.777SS**  trans-56.9168.1176.1-46.2-93000112.8
1462A32.7Very low29Very low86 Ų86129.7 Ų129.771%0.71178%0.778SS**  cis-161.1-17023.500000113.5
1463S29.1Very low29Very low99 Ų99132.7 Ų132.769%0.69278%0.782SS**  trans-39.9162.3151.658.70000114.2
1464T31.2Very low29.1Very low122 Ų122131.9 Ų131.975%0.74878%0.776SS**  cis-16016435.5-33.60000112.4
1465S26.2Very low29.3Very low99 Ų99134.7 Ų134.769%0.69278%0.78SS**  trans-63.6145.8162.5550000113.4
1466A25.8Very low29.5Very low90 Ų90135.3 Ų135.374%0.74479%0.786SS**  trans50.3140.7144.900000120.7
1467V28.9Very low29.9Very low151 Ų151132.5 Ų132.592%0.91578%0.78SS**  -160.8168.2103-93.40000111.6
1468D24.1Very low29.8Very low156 Ų156128.7 Ų128.783%0.83478%0.779SS**  trans-78.5-176.5179.6-157.7-9.2000113
1469A28.4Very low29.9Very low85 Ų85125.5 Ų125.570%0.70278%0.781SS**  trans73.9115155.200000120
1470S28.9Very low30.2Very low104 Ų104126 Ų12673%0.72778%0.779SS**  trans-42.7150.5161.255.20000118
1471M30Very low30.1Very low178 Ų178125 Ų12588%0.87778%0.775SS**  trans54.4142136.5-69.6-174.7169.300119.9
1472M28.7Very low30.3Very low176 Ų176122.6 Ų122.687%0.86777%0.769SS**  cis-138.2161.918.7-66.9-179172.200111.8
1473N30Very low30.3Very low151 Ų151123.5 Ų123.581%0.80777%0.766SS**  trans-146.3120.2138.7-148.7-14.9000112.7
1474S31.3Very low30.4Very low103 Ų103125.4 Ų125.472%0.7277%0.769SS**  trans29.3103.8152.2-460000120.9
1475M31.3Very low30.4Very low165 Ų165127.8 Ų127.881%0.81377%0.771SS**  trans-55.2168.8142.7-81.5177.374.800111.7
1476P36.4Very low30.6Very low123 Ų123130.7 Ų130.780%0.79978%0.777SS**  cis-144.9176.734.241.6-20.6000119
1477P40.2Very low31.5Very low111 Ų111132 Ų13272%0.72178%0.779SS**  trans-113.2172.5-178.442-33.6000115.1
1478G27.4Very low31.6Very low76 Ų76129.7 Ų129.778%0.78478%0.775SS**  trans108.1146.3140.200000118.5
1479A31.8Very low32Very low98 Ų98126.4 Ų126.481%0.8177%0.77SS**  trans-162.5154.8162.100000109.6
1480Q29.9Very low32.1Very low159 Ų159130.7 Ų130.774%0.74378%0.777SS**  cis178.3150-43.2-116.6-174.33.100107.5
1481N30.9Very low32.3Very low146 Ų146131.1 Ų131.178%0.78178%0.775SS**  trans165.4149.4134.9-88.1-12.8000111.9
1482S33.7Very low32.5Very low96 Ų96130.5 Ų130.567%0.67178%0.775SS**  cis-175.6161.3-21.749.30000111.6
1483T32Very low32.8Very low105 Ų105126.3 Ų126.364%0.64476%0.763SS**  cis-172.2107.2-35.1-72.80000106.8
1484D31Very low33Very low139 Ų139126.4 Ų126.474%0.74376%0.76SS**  trans-137114.7171.5-83.3-46.1000109.3
1485Q31.2Very low33Very low172 Ų172128.2 Ų128.280%0.80476%0.762SS**  90.2105.469.9-79.1-168.893.700113.6
1486I30Very low33.1Very low160 Ų160128.3 Ų128.382%0.82176%0.76SS**  trans-158.5-178.9-174.561.3172.1000108.3
1487P46Very low32.7Very low119 Ų119130.2 Ų130.277%0.77376%0.759SS**  cis-132174.9-7.841.9-26.2000115.3
1488A30.5Very low32.2Very low101 Ų101131.4 Ų131.484%0.83577%0.768SS**  trans-157.4141.3156.700000110
1489A32.3Very low32.2Very low87 Ų87132.3 Ų132.372%0.71977%0.768SS**  cis-162.8159.7-13.100000110.2
1490M31.6Very low32Very low176 Ų176137.2 Ų137.287%0.86777%0.774SS**  trans64145.5163.7-63.4177.1175.800118.3
1491T32.1Very low31.8Very low112 Ų112134.5 Ų134.569%0.68777%0.773SS**  cis-167.9140-18.819.80000109.5
1492L34.3Very low31.5Very low166 Ų166135.8 Ų135.887%0.86978%0.776SS**  trans63.9152.1153.5-60.1168000119
1493S34.8Very low31Very low87 Ų87137.7 Ų137.761%0.60878%0.784SS**  cis-172.6139.5-28.3-155.10000110.6
1494M35.2Very low30.9Very low154 Ų154137.4 Ų137.476%0.75979%0.786SS**  trans54.8124.5152.2-61.1176.783.700120
1495D31.5Very low31.1Very low140 Ų140136.3 Ų136.375%0.74979%0.79SS**  70144.284.2-50.9-47.1000114.2
1496Q32.6Very low31.2Very low167 Ų167135.6 Ų135.678%0.7879%0.79SS**  cis-147.3-177.39.8-158.1169.2-16.300112.5
1497E28.4Very low31.4Very low164 Ų164132.6 Ų132.677%0.76678%0.779SS**  trans-61.3154.8-171.4-54.6147.391.800118.6
1498C29.4Very low30.8Very low136 Ų136135.9 Ų135.992%0.91978%0.776SS**  -151.9161.5125.3-160.20000110.1
1499A26.9Very low30.9Very low95 Ų95137.5 Ų137.579%0.78577%0.77SS**  trans-84.2150.8-162.500000115.8
1500Q27.7Very low31Very low200 Ų200139 Ų13994%0.93577%0.771SS**  trans-148.9158.3155.6-115.3179.515.600111.2
1501S25.9Very low31.1Very low102 Ų102137 Ų13771%0.71377%0.769SS**  trans-91.3153.4-173.9-161.80000113
1502M24Very low31.1Very low174 Ų174135.1 Ų135.186%0.85777%0.772SS**  trans40.388.7162.5-63.6-167.9-170.500119.7
1503T24.4Very low30.9Very low135 Ų135134.2 Ų134.283%0.82877%0.773SS**  -146157115.863.50000106.2
1504S29.5Very low30.8Very low100 Ų100139.2 Ų139.270%0.69978%0.784SS**  cis-164172.735.1-76.10000109.5
1505S35.4Very low30.4Very low116 Ų116139.8 Ų139.881%0.81179%0.789SS**  trans-152.190.7157.1-870000112.6
1506I33.4Very low30.4Very low157 Ų157136.7 Ų136.781%0.80578%0.783SS**  trans-144.9126.3176.5-57.7179.9000109.3
1507T32.3Very low30.3Very low96 Ų96134.7 Ų134.759%0.58978%0.782SS**  cis-153.1-141.1-37.433.90000104.8
1508R35Very low30.2Very low188 Ų188136.4 Ų136.471%0.70979%0.787SS**  cis-169.8171.9-0.2-138.7172.5-165.986.7-3.8109
1509N32.4Very low30.2Very low135 Ų135138.3 Ų138.372%0.72278%0.783SS**  trans68.1134.3149.9-74.43.9000119.7
1510T33.8Very low30.3Very low120 Ų120141.3 Ų141.374%0.73679%0.786SS**  cis-141.1170.7-11.657.80000108.1
1511T34.4Very low30.3Very low134 Ų134139.9 Ų139.982%0.82278%0.784SS**SBendcis-130.9167.15440000110.6T1513T1511-T1513 PolarHBondContact O-N 3.31Å
1512G32.5Very low30.3Very low72 Ų72143.5 Ų143.574%0.74279%0.789SS**SBendtrans95.1-38.316000000118.6
1513T28.6Very low30.6Very low146 Ų146141.7 Ų141.790%0.89679%0.788SS**  trans66155.3178.435.70000118.4T1511T1511-T1513 PolarHBondContact O-N 3.31Å
1514K33.6Very low30.7Very low192 Ų192139.6 Ų139.684%0.83578%0.784SS**  trans-109.3158.6-165.1-70.1-178.3179.4-178.20111.3
1515L26.9Very low30.5Very low167 Ų167143 Ų14387%0.87479%0.794SS**  35.6132.385.4-93.384.8000114.7
1516A31.3Very low30.3Very low75 Ų75142.6 Ų142.662%0.6279%0.791SS**  cis-163.5173.1-0.900000113.7
1517T30.8Very low30.2Very low124 Ų124140.8 Ų140.876%0.76179%0.792SS**  trans63.5114.3152.1480000123.4
1518F26.4Very low30.1Very low200 Ų200142.5 Ų142.588%0.87780%0.803SS**  trans77.2149.5136.1-88.8-84.5000124.1
1519E28.8Very low30Very low176 Ų176142 Ų14282%0.82281%0.813SS**  trans72.4151173.1-58.2-159.513600120
1520N30.1Very low30Very low159 Ų159139.1 Ų139.185%0.8582%0.816SS**  trans53.888.5-177.4-66.5-19000117.5
1521L26.4Very low29.7Very low169 Ų169139.7 Ų139.789%0.88582%0.819SS**  trans-107.143171.6-142.6169.6000112.1
1522E27Very low29.7Very low178 Ų178141.6 Ų141.683%0.83282%0.818SS**SBendtrans-121.9145.7161.6-71.1-166.9132.600108.9
1523T29.6Very low29.6Very low137 Ų137145 Ų14584%0.8482%0.818SS**SBendtrans72.747.8-178.1-32.90000116.2
1524A25.4Very low29.6Very low90 Ų90149.4 Ų149.474%0.74482%0.818SS**  trans-12523.2165.600000114.1
1525L26.1Very low29.3Very low172 Ų172148.9 Ų148.990%0.90182%0.819SS**SBendtrans-136.740.3172.8-83.6-177.7000113.1
1526S30.9Very low30Very low107 Ų107145.7 Ų145.775%0.74881%0.808SS**  trans-162.3103.4165-102.10000112.8
1527S31.4Very low29.8Very low119 Ų119149.9 Ų149.983%0.83282%0.82SS**  trans-176.7105.8140.659.20000112.1
1528T31.6Very low29.8Very low133 Ų133148.4 Ų148.482%0.81682%0.821SS**SBendtrans-128.195.7154.8-55.30000107.8
1529L33Very low30.5Very low176 Ų176144.7 Ų144.792%0.92182%0.816SS**SBendtrans65.2136.5-179.5-57.6157.3000114.8
1530G31.4Very low30.8Very low75 Ų75141.1 Ų141.177%0.77381%0.811SS**  cis15190.6-300000111.7
1531T27.5Very low31.1Very low132 Ų132138.4 Ų138.481%0.8180%0.804SS**  trans-100.1133.8-178.645.50000112.4
1532H33.5Very low31.7Very low174 Ų174140.4 Ų140.481%0.80680%0.8SS**  trans-155.9108.6156-102.3-86.4000107.6
1533I30.4Very low32.1Very low143 Ų143137.3 Ų137.373%0.73379%0.789SS**  93.2120.579.3-81.4-173.4000113.7
1534R29.2Very low32.5Very low239 Ų239138.4 Ų138.490%0.90279%0.785SS**  trans26.7122.8157.3-80.2-177170.1173.8-3.2122.4
1535Q28Very low33Very low181 Ų181139.1 Ų139.185%0.84678%0.78SS**  trans-63.8172.3142.2-79.2-174.8-1.800111.9
1536P40.4Very low33.5Very low100 Ų100137.6 Ų137.665%0.64978%0.778SS**  cis-144.316024.142-22.9000119.7
1537N28.8Very low33.7Very low164 Ų164136.9 Ų136.988%0.87778%0.779SS**  175163.5123.4-90.1-22000112.3
1538A30.7Very low34.6Very low93 Ų93137 Ų13777%0.76978%0.777SS**  trans-118-169-178.600000110.4
1539P39.7Very low34.7Very low121 Ų121139 Ų13979%0.78678%0.779SS**  cis-147.2-178.6444.3-24.3000119.3
1540S36.5Very low35Very low102 Ų102136.1 Ų136.171%0.71377%0.769SS**  trans94.6137.2137.6-160.30000125.2
1541S35.3Very low35.8Very low101 Ų101137.8 Ų137.871%0.70677%0.766SS**  trans68.6129.815231.20000121.5
1542R38.7Very low36.1Very low212 Ų212136.5 Ų136.580%0.876%0.762SS**  cis90.6135.821.9-66.7-164.763.8179.8-8116
1543D36.8Very low36.1Very low112 Ų112137.2 Ų137.260%0.59976%0.763SS**  cis-150.5-152.3-8.3-64.1-43.3000108.5
1544E37.3Very low36.3Very low160 Ų160135.7 Ų135.775%0.74876%0.761SS**  cis-166.8-171.3-6.5-144.1-173.661.100107.9
1545T37Very low36.5Very low106 Ų106131.2 Ų131.265%0.6576%0.755SS**  cis-162.1173.1-3.5-210000111
1546T34.9Very low36.7Very low139 Ų139129.3 Ų129.385%0.85375%0.746SS**  trans123.4119.8141.9-47.10000120.2
1547A36.3Very low36.3Very low92 Ų92133.5 Ų133.576%0.7675%0.749SS**  trans-171.5-168.4169.600000110.4
1548P50.2Low36.6Very low123 Ų123133.3 Ų133.380%0.79975%0.746SS**  cis-132.4-169.1-21.343.4-26000114.5
1549M34.1Very low36.7Very low173 Ų173132.4 Ų132.485%0.85275%0.746SS**  trans-157.6109.2170.2-110.8-169.5166.100120.4
1550T38.1Very low36.3Very low117 Ų117130.8 Ų130.872%0.71875%0.752SS**  49.6163.9122.159.90000126.4
1551P49Very low36.2Very low109 Ų109130 Ų13071%0.70876%0.759SS**  cis-151.8-163.5-38.245.2-25.9000118
1552S33.8Very low36Very low105 Ų105129.2 Ų129.273%0.73477%0.767SS**  trans98.4159.4158.281.40000118.1
1553F33.3Very low35.8Very low189 Ų189123.2 Ų123.283%0.82977%0.772SS**  cis-152.8-169.31.5-133.3-33.9000112.6
1554T34.5Very low35.6Very low111 Ų111122 Ų12268%0.68179%0.786SS**  trans-155.1170.9-162.957.10000117.2
1555N32.5Very low35.3Very low145 Ų145118.4 Ų118.478%0.77579%0.791SS**  trans140.8154.9144.7-75.27000114
1556E33.8Very low35Very low142 Ų142117.7 Ų117.766%0.66480%0.796SS**  cis-165.9165.3-24.4-154.1-155.2160.500110.2
1557R31.4Very low34.9Very low188 Ų188117.8 Ų117.871%0.70980%0.797SS**  trans81.6127.4149.3-86.6172.9-164.7-121.1-10.3127.2
1558I35.5Very low34.8Very low159 Ų159118.1 Ų118.182%0.81579%0.793SS**  trans77130.2140.3-61.9161.8000120.5
1559G32.6Very low33.7Very low75 Ų75121.6 Ų121.677%0.77380%0.796SS**  trans138.989.7150.200000116.7
1560G31.6Very low33.5Very low87 Ų87117.8 Ų117.890%0.89779%0.787SS**  trans-84171.5-166.900000120
1561G32.7Very low33.1Very low85 Ų85118.4 Ų118.488%0.87678%0.784SS**  trans109120146.100000119
1562G32.5Very low32.1Very low84 Ų84116.3 Ų116.387%0.86678%0.782SS**  trans103.572.9134.400000121.3
1563G33Very low32.2Very low87 Ų87118.4 Ų118.490%0.89779%0.791SS**  73.3118.1128.600000122.6
1564G32.7Very low32.5Very low87 Ų87114.4 Ų114.490%0.89778%0.784SS**  trans119.5135.2140.200000118.2
1565G31.6Very low32.7Very low83 Ų83115 Ų11586%0.85679%0.79SS**  trans112.8101.6156.600000117.4
1566A30.3Very low32.8Very low91 Ų91112.5 Ų112.575%0.75278%0.784SS**  trans-48.3148.7178.800000118.4
1567T33.4Very low32.9Very low142 Ų142114.5 Ų114.587%0.87179%0.793SS**  172.9160.4113.833.10000113.8
1568S34.2Very low32.8Very low99 Ų99110.5 Ų110.569%0.69279%0.794SS**  trans71.5111.4158.1-168.60000121.8
1569F27.6Very low33.2Very low195 Ų195107.8 Ų107.886%0.85579%0.786SS**  trans28.8142.1137.8-60.6-79.5000121.6
1570S29.1Very low33Very low94 Ų94113.7 Ų113.766%0.65779%0.791SS**  cis-164.4157.725.5-131.80000115.3
1571I29.1Very low33.2Very low129 Ų129114.7 Ų114.766%0.66278%0.782SS**  trans58.4125.6154.8-61170.1000119.9
1572G29.7Very low33.4Very low65 Ų65118.2 Ų118.267%0.6779%0.786SS**  trans154102.1163.500000112.5P1574G1572-P1574 WeakPolarHBondContact O-CD 2.97Å
1573T34Very low33.3Very low150 Ų150119 Ų11992%0.9278%0.778SS**  trans-85.7124.7-163.1-39.30000114.5
1574P41.6Very low33.3Very low105 Ų105124.4 Ų124.468%0.68278%0.78SS**  trans-111166.3175.240.9-31.7000114G1572G1572-P1574 WeakPolarHBondContact O-CD 2.97Å
1575P38.5Very low33.2Very low124 Ų124124.6 Ų124.681%0.80577%0.767SS**  trans-89.7-169.816243.2-38.1000109.8
1576S33.2Very low33.4Very low92 Ų92128.8 Ų128.864%0.64377%0.77SS**  cis-156.3170.615.458.50000113.6
1577H36.1Very low33.6Very low184 Ų184134.4 Ų134.485%0.85277%0.773SS**  trans71.1134.9166.5-64.7-68.9000120.9
1578S30.1Very low33.5Very low104 Ų104134.6 Ų134.673%0.72777%0.769SS**  trans-91.7172-178.754.80000111.5
1579P42.9Very low33.6Very low102 Ų102137.4 Ų137.466%0.66278%0.775SS**  cis-153.415234.240.3-17.8000121.8
1580F29.2Very low33.7Very low198 Ų198137.3 Ų137.387%0.86877%0.774SS**  trans57.9162.2145.1-67.8-49.2000121.5
1581P36.5Very low33.7Very low108 Ų108136 Ų13670%0.70178%0.775SS**  cis-136.5153.3-34.335.7-19.7000114.7
1582V35.2Very low33.9Very low159 Ų159138.6 Ų138.696%0.96479%0.785SS**  trans-158.7161.7138.4-104.10000108.9
1583S31.5Very low34.3Very low102 Ų102142 Ų14271%0.71379%0.785SS**  trans-125.4135.5-172.91700000111.3C1585S1583-C1585 PolarHBondContact OG-SG 2.99Å
1584E32.9Very low34.4Very low200 Ų200142.9 Ų142.994%0.93578%0.784SS**  trans-133.6137.9159.1-163.2160-131.200106.5
1585C31Very low34.5Very low91 Ų91142.5 Ų142.562%0.61578%0.776SS**  trans-114.8110.3-164.7-63.90000111.7S1583 Y1587S1583-C1585 PolarHBondContact OG-SG 2.99Å; C1585-Y1587 PolarHBondContact O-N 2.67Å
1586D34.5Very low34.3Very low171 Ų171146 Ų14691%0.91478%0.781SS**  trans-65.5127.6161.4-89.7-50.8000109.9D1588D1586-D1588 PolarHBondContact O-N 2.8Å
1587Y35.8Very low34.7Very low208 Ų208147 Ų14782%0.81679%0.789SS**  trans-88.3105.1176.1-95.9-92.5000110.3C1585 L1589C1585-Y1587 PolarHBondContact O-N 2.67Å; Y1587-L1589 PolarHBondContact O-N 3.1Å; Y1587-L1589 VanDerWaalsContact O-N 3.14Å
1588D30.8Very low35.1Very low147 Ų147143.7 Ų143.779%0.78677%0.773SS**  trans-67.7109172.1-169.7-6.9000110.5D1586 K1590D1586-D1588 PolarHBondContact O-N 2.8Å; D1588-K1590 WeakPolarHBondContact OD1-CB 3.22Å; D1588-K1590 PolarHBondContact OD1-N 2.73Å
1589L35.5Very low36.7Very low157 Ų157143.1 Ų143.182%0.82276%0.762SS**  trans-109.142.2-173.7-119.8171000112Y1587Y1587-L1589 PolarHBondContact O-N 3.1Å; Y1587-L1589 VanDerWaalsContact O-N 3.14Å
1590K29.7Very low37.9Very low194 Ų194142.7 Ų142.784%0.84376%0.759SS**  trans-110.447.3178.9-159.282.9179-172.70112.9D1588D1588-K1590 WeakPolarHBondContact OD1-CB 3.22Å; D1588-K1590 PolarHBondContact OD1-N 2.73Å
1591G30.7Very low39.7Very low66 Ų66140.5 Ų140.568%0.6875%0.752SS**SBendtrans-152.815.1-169.300000118.9
1592Q31.9Very low41.1Very low184 Ų184137.9 Ų137.986%0.8673%0.734SS**SBendtrans-16792.1171.1-114.8162.23500113
1593M39.7Very low42.8Very low136 Ų136134.1 Ų134.167%0.6771%0.707SS**  trans179.6104.1149.5-108174.7158.500110.2L1595M1593-L1595 HydrophobicContact CE-CD1 4.03Å; M1593-L1595 HydrophobicContact CG-CD1 4.24Å; M1593-L1595 PolarHBondContact O-N 2.65Å; M1593-L1595 HydrophobicContact SD-CD1 4.03Å
1594D34.5Very low44.8Very low169 Ų169135.3 Ų135.390%0.90470%0.701SS**  trans-7898.3166.2-66.1-49.4000108.8
1595L43.7Very low46.7Very low97 Ų97131.4 Ų131.451%0.50869%0.685SS.*  trans-138.751.8177.7-77.6175.3000111M1593 S1597M1593-L1595 HydrophobicContact CE-CD1 4.03Å; M1593-L1595 HydrophobicContact CG-CD1 4.24Å; M1593-L1595 PolarHBondContact O-N 2.65Å; M1593-L1595 HydrophobicContact SD-CD1 4.03Å; L1595-S1597 VanDerWaalsContact C-N 3.3Å; L1595-S1597 PolarHBondContact O-N 2.87Å
1596E34.9Very low48.9Very low196 Ų196130.4 Ų130.492%0.91667%0.673SS**THydrogen-bonded Turntrans-7678.5170.5-64.9-161.3145.100110.8
1597S41Very low51Low115 Ų115126 Ų12680%0.80465%0.652SS**THydrogen-bonded Turntrans-166.6-22.61662.60000115.7L1595L1595-S1597 VanDerWaalsContact C-N 3.3Å; L1595-S1597 PolarHBondContact O-N 2.87Å
1598E44.2Very low53.2Low113 Ų113123.2 Ų123.253%0.52864%0.64SS.*SBendtrans-90.1154.2-175-65.6-160143.200114.4
1599D65.6Low55.5Low93 Ų93120.9 Ų120.950%0.49762%0.624SS.*  trans-61.6135.5-175.3-170.2-59.3000112.4E1601 V1602 I1603D1599-E1601 PolarHBondContact O-N 3.18Å; D1599-E1601 VanDerWaalsContact O-N 3.15Å; D1599-E1601 WeakPolarHBondContact OD1-CB 3.44Å; D1599-E1601 PolarHBondContact OD1-N 3.1Å; D1599-V1602 HydrophobicContact CB-CB 4.32Å; D1599-V1602 HydrophobicContact CB-CG2 4.04Å; D1599-V1602 WeakPolarHBondContact O-CB 3.38Å; D1599-V1602 PolarHBondContact O-N 3.05Å; D1599-I1603 PolarHBondContact O-N 3.16Å
1600P67.7Low57.5Low92 Ų92121.1 Ų121.160%0.59761%0.614SS**Hα-helixtrans-57.7-26.5178.124.4-35.7000114.4Q1604P1600-Q1604 WeakPolarHBondContact O-CG 3.43Å; P1600-Q1604 PolarHBondContact O-N 2.96Å
1601E66.9Low60Low153 Ų153117.9 Ų117.972%0.71560%0.603SS**Hα-helixtrans-75.7-34.8175.3-164.6165-110.300111.8D1599 Q1604 M1605D1599-E1601 PolarHBondContact O-N 3.18Å; D1599-E1601 VanDerWaalsContact O-N 3.15Å; D1599-E1601 WeakPolarHBondContact OD1-CB 3.44Å; D1599-E1601 PolarHBondContact OD1-N 3.1Å; E1601-Q1604 PolarHBondContact O-N 2.96Å; E1601-M1605 WeakPolarHBondContact O-CB 3.18Å; E1601-M1605 PolarHBondContact O-N 3.36Å
1602V66Low62.5Low53 Ų53120 Ų12032%0.32160%0.596SS.*Hα-helixtrans-65.7-42.9170.3174.70000110.5D1599 Q1604 M1605 I1606D1599-V1602 HydrophobicContact CB-CB 4.32Å; D1599-V1602 HydrophobicContact CB-CG2 4.04Å; D1599-V1602 WeakPolarHBondContact O-CB 3.38Å; D1599-V1602 PolarHBondContact O-N 3.05Å; V1602-Q1604 PolarHBondContact O-N 3.41Å; V1602-M1605 WeakPolarHBondContact O-CB 3.44Å; V1602-M1605 PolarHBondContact O-N 2.98Å; V1602-M1605 VanDerWaalsContact O-N 3.16Å; V1602-I1606 HydrophobicContact CG1-CD1 3.96Å; V1602-I1606 WeakPolarHBondContact O-CG1 3.32Å; V1602-I1606 PolarHBondContact O-N 3.44Å
1603I69.5Low64.7Low80 Ų80115.5 Ų115.541%0.4158%0.575SS.*Hα-helixtrans-61.7-43.7174.7-63.7172.5000110.6D1599 M1605 I1606 V1607D1599-I1603 PolarHBondContact O-N 3.16Å; I1603-M1605 VanDerWaalsContact C-N 3.35Å; I1603-M1605 PolarHBondContact O-N 3.04Å; I1603-I1606 PolarHBondContact O-N 2.83Å; I1603-V1607 WeakPolarHBondContact O-CB 3.43Å; I1603-V1607 WeakPolarHBondContact O-CG2 3.35Å; I1603-V1607 PolarHBondContact O-N 3.48Å
1604Q74.1Confident66.6Low126 Ų126115.1 Ų115.159%0.58957%0.571SS**Hα-helixtrans-62.9-37.3173.4-79.4-171.253.100113.1P1600 E1601 V1602 V1607 R1608P1600-Q1604 WeakPolarHBondContact O-CG 3.43Å; P1600-Q1604 PolarHBondContact O-N 2.96Å; E1601-Q1604 PolarHBondContact O-N 2.96Å; V1602-Q1604 PolarHBondContact O-N 3.41Å; Q1604-V1607 PolarHBondContact O-N 2.95Å; Q1604-R1608 WeakPolarHBondContact O-CB 3.28Å; Q1604-R1608 PolarHBondContact O-N 3.46Å
1605M73.8Confident69.1Low118 Ų118114.9 Ų114.958%0.58156%0.562SS**Hα-helixtrans-64.7-42.9174.7-179.8173.256.700111.6E1601 V1602 I1603 R1608 H1609E1601-M1605 WeakPolarHBondContact O-CB 3.18Å; E1601-M1605 PolarHBondContact O-N 3.36Å; V1602-M1605 WeakPolarHBondContact O-CB 3.44Å; V1602-M1605 PolarHBondContact O-N 2.98Å; V1602-M1605 VanDerWaalsContact O-N 3.16Å; I1603-M1605 VanDerWaalsContact C-N 3.35Å; I1603-M1605 PolarHBondContact O-N 3.04Å; M1605-R1608 PolarHBondContact O-N 3.49Å; M1605-H1609 WeakPolarHBondContact O-CB 3.36Å; M1605-H1609 PolarHBondContact O-N 2.68Å
1606I76.1Confident70.9Confident71 Ų71114.7 Ų114.736%0.36456%0.561SS.*Hα-helixtrans-64.3-42.7175.8-68.1166.2000110.8V1602 I1603 H1609 R1610V1602-I1606 HydrophobicContact CG1-CD1 3.96Å; V1602-I1606 WeakPolarHBondContact O-CG1 3.32Å; V1602-I1606 PolarHBondContact O-N 3.44Å; I1603-I1606 PolarHBondContact O-N 2.83Å; I1606-H1609 PolarHBondContact O-N 3.14Å; I1606-R1610 WeakPolarHBondContact O-CB 3.32Å; I1606-R1610 WeakPolarHBondContact O-CG 3.35Å; I1606-R1610 PolarHBondContact O-N 3.03Å
1607V78.2Confident73.1Confident79 Ų79110.2 Ų110.248%0.47954%0.543SS..Hα-helixtrans-64.5-46.5176.2169.60000111.3I1603 Q1604 H1609 R1610 M1611I1603-V1607 WeakPolarHBondContact O-CB 3.43Å; I1603-V1607 WeakPolarHBondContact O-CG2 3.35Å; I1603-V1607 PolarHBondContact O-N 3.48Å; Q1604-V1607 PolarHBondContact O-N 2.95Å; V1607-H1609 VanDerWaalsContact C-N 3.35Å; V1607-H1609 PolarHBondContact O-N 3.26Å; V1607-R1610 PolarHBondContact O-N 3.22Å; V1607-M1611 HydrophobicContact CG1-CE 4.4Å; V1607-M1611 WeakPolarHBondContact O-CB 3.36Å; V1607-M1611 PolarHBondContact O-N 3.18Å
1608R81.8Confident75.2Confident149 Ų149107.9 Ų107.956%0.56252%0.519SS*.Hα-helixtrans-57.9-46.9174178179.5-78.4115.4-5.6110.8Q1604 M1605 M1611 E1612Q1604-R1608 WeakPolarHBondContact O-CB 3.28Å; Q1604-R1608 PolarHBondContact O-N 3.46Å; M1605-R1608 PolarHBondContact O-N 3.49Å; R1608-M1611 WeakPolarHBondContact O-CB 3.45Å; R1608-M1611 PolarHBondContact O-N 3.36Å; R1608-E1612 WeakPolarHBondContact CG-OE1 3.25Å; R1608-E1612 WeakPolarHBondContact O-CG 3.16Å; R1608-E1612 PolarHBondContact O-N 2.66Å
1609H79.8Confident77.1Confident98 Ų98109.5 Ų109.545%0.45452%0.524SS..Hα-helixtrans-65-42.3-179.9-168.764.4000112.5M1605 I1606 V1607 M1611 E1612 Q1613M1605-H1609 WeakPolarHBondContact O-CB 3.36Å; M1605-H1609 PolarHBondContact O-N 2.68Å; I1606-H1609 PolarHBondContact O-N 3.14Å; V1607-H1609 VanDerWaalsContact C-N 3.35Å; V1607-H1609 PolarHBondContact O-N 3.26Å; H1609-M1611 VanDerWaalsContact C-N 3.32Å; H1609-M1611 PolarHBondContact O-N 3.42Å; H1609-E1612 PolarHBondContact O-N 2.93Å; H1609-Q1613 PolarHBondContact CE1-NE2 2.89Å; H1609-Q1613 PolarHBondContact NE2-NE2 2.91Å; H1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; H1609-Q1613 WeakPolarHBondContact O-CG 3Å; H1609-Q1613 PolarHBondContact O-N 3.4Å
1610R78.2Confident78Confident162 Ų162110 Ų11061%0.61152%0.524SS*.Hα-helixtrans-62-38.9173.2-75.8-173.9-178.9-173.44.6111.9I1606 V1607 Q1613 H1614I1606-R1610 WeakPolarHBondContact O-CB 3.32Å; I1606-R1610 WeakPolarHBondContact O-CG 3.35Å; I1606-R1610 PolarHBondContact O-N 3.03Å; V1607-R1610 PolarHBondContact O-N 3.22Å; R1610-Q1613 PolarHBondContact O-N 2.81Å; R1610-H1614 WeakPolarHBondContact O-CB 3.23Å; R1610-H1614 PolarHBondContact O-N 3.34Å
1611M82.1Confident78.8Confident126 Ų126113.1 Ų113.162%0.62152%0.524SS*.Hα-helixtrans-66.5-40.2176.6-165.9-170.1-56.700111.9V1607 R1608 H1609 H1614 K1615V1607-M1611 HydrophobicContact CG1-CE 4.4Å; V1607-M1611 WeakPolarHBondContact O-CB 3.36Å; V1607-M1611 PolarHBondContact O-N 3.18Å; R1608-M1611 WeakPolarHBondContact O-CB 3.45Å; R1608-M1611 PolarHBondContact O-N 3.36Å; H1609-M1611 VanDerWaalsContact C-N 3.32Å; H1609-M1611 PolarHBondContact O-N 3.42Å; M1611-H1614 PolarHBondContact O-N 2.66Å; M1611-K1615 VanDerWaalsContact O-CB 3.29Å; M1611-K1615 WeakPolarHBondContact O-CB 3.18Å; M1611-K1615 PolarHBondContact O-N 3.39Å
1612E83.9Confident79.5Confident111 Ų111109.8 Ų109.852%0.51951%0.513SS..Hα-helixtrans-66-42.4173.8-74.6170.9-172.500112.2R1608 H1609 K1615 L1616R1608-E1612 WeakPolarHBondContact CG-OE1 3.25Å; R1608-E1612 WeakPolarHBondContact O-CG 3.16Å; R1608-E1612 PolarHBondContact O-N 2.66Å; H1609-E1612 PolarHBondContact O-N 2.93Å; E1612-K1615 PolarHBondContact O-N 2.7Å; E1612-L1616 WeakPolarHBondContact O-CB 3.37Å; E1612-L1616 PolarHBondContact O-N 3.35Å
1613Q76.3Confident80.2Confident89 Ų89111.4 Ų111.442%0.41652%0.517SS..Hα-helixtrans-60.3-45.9172.9-68.8-77.7200111.1H1609 R1610 K1615 L1616 L1617H1609-Q1613 PolarHBondContact CE1-NE2 2.89Å; H1609-Q1613 PolarHBondContact NE2-NE2 2.91Å; H1609-Q1613 WeakPolarHBondContact O-CB 3.39Å; H1609-Q1613 WeakPolarHBondContact O-CG 3Å; H1609-Q1613 PolarHBondContact O-N 3.4Å; R1610-Q1613 PolarHBondContact O-N 2.81Å; Q1613-K1615 VanDerWaalsContact C-N 3.34Å; Q1613-K1615 PolarHBondContact O-N 2.9Å; Q1613-L1616 PolarHBondContact O-N 2.81Å; Q1613-L1617 WeakPolarHBondContact O-CB 3.45Å; Q1613-L1617 WeakPolarHBondContact O-CG 3.38Å; Q1613-L1617 PolarHBondContact O-N 2.94Å
1614H80.1Confident80.6Confident127 Ų127111.9 Ų111.959%0.58852%0.52SS*.Hα-helixtrans-63-40176.1-165.1-70.5000111.9R1610 M1611 L1616 L1617 E1618R1610-H1614 WeakPolarHBondContact O-CB 3.23Å; R1610-H1614 PolarHBondContact O-N 3.34Å; M1611-H1614 PolarHBondContact O-N 2.66Å; H1614-L1616 VanDerWaalsContact C-N 3.33Å; H1614-L1616 PolarHBondContact O-N 3.11Å; H1614-L1617 PolarHBondContact O-N 3.48Å; H1614-E1618 WeakPolarHBondContact O-CB 3.4Å; H1614-E1618 PolarHBondContact O-N 3.28Å
1615K86.5Confident80.6Confident165 Ų165110.3 Ų110.372%0.71751%0.513SS*.Hα-helixtrans-68.6-31.4177.1-164.2169.5-173.1172.80112.4M1611 E1612 Q1613 K1619M1611-K1615 VanDerWaalsContact O-CB 3.29Å; M1611-K1615 WeakPolarHBondContact O-CB 3.18Å; M1611-K1615 PolarHBondContact O-N 3.39Å; E1612-K1615 PolarHBondContact O-N 2.7Å; Q1613-K1615 VanDerWaalsContact C-N 3.34Å; Q1613-K1615 PolarHBondContact O-N 2.9Å; K1615-K1619 WeakPolarHBondContact O-CB 3.32Å; K1615-K1619 PolarHBondContact O-N 2.9Å
1616L82.9Confident80.7Confident92 Ų92111.4 Ų111.448%0.48251%0.51SS..Hα-helixtrans-72.4-42.8172.3-176.762.9000111.8E1612 Q1613 H1614 K1619 Q1620E1612-L1616 WeakPolarHBondContact O-CB 3.37Å; E1612-L1616 PolarHBondContact O-N 3.35Å; Q1613-L1616 PolarHBondContact O-N 2.81Å; H1614-L1616 VanDerWaalsContact C-N 3.33Å; H1614-L1616 PolarHBondContact O-N 3.11Å; L1616-K1619 PolarHBondContact O-N 2.81Å; L1616-Q1620 WeakPolarHBondContact O-CG 3.44Å; L1616-Q1620 PolarHBondContact O-N 2.89Å
1617L80.6Confident80.4Confident103 Ų103112.4 Ų112.454%0.53952%0.516SS..Hα-helixtrans-64.5-42.8175.4-73.9170.1000111.8Q1613 H1614 Q1620 R1621Q1613-L1617 WeakPolarHBondContact O-CB 3.45Å; Q1613-L1617 WeakPolarHBondContact O-CG 3.38Å; Q1613-L1617 PolarHBondContact O-N 2.94Å; H1614-L1617 PolarHBondContact O-N 3.48Å; L1617-Q1620 CarbonylContact O-C 3.59Å; L1617-Q1620 PolarHBondContact O-N 3.05Å; L1617-R1621 WeakPolarHBondContact O-CB 3.02Å; L1617-R1621 PolarHBondContact O-N 3.5Å
1618E84.4Confident80Confident65 Ų65115.6 Ų115.630%0.30452%0.519SS..Hα-helixtrans-67.1-36.9175.2-168.158.2-140.500111H1614 Q1620 R1621 V1622H1614-E1618 WeakPolarHBondContact O-CB 3.4Å; H1614-E1618 PolarHBondContact O-N 3.28Å; E1618-Q1620 VanDerWaalsContact C-N 3.35Å; E1618-Q1620 PolarHBondContact O-N 3.47Å; E1618-R1621 VanDerWaalsContact CD-NH1 3.27Å; E1618-R1621 PolarHBondContact O-N 2.56Å; E1618-R1621 WeakPolarHBondContact OE1-CD 3.4Å; E1618-R1621 IonicContact OE1-CZ 2.75Å; E1618-R1621 IonicContact OE1-NE 3.89Å; E1618-R1621 IonicContact OE1-NH1 3.07Å; E1618-R1621 PolarHBondContact OE1-NH1 3.2Å; E1618-R1621 WeakPolarHBondContact OE2-CD 3.23Å; E1618-R1621 IonicContact OE2-CZ 3.17Å; E1618-R1621 IonicContact OE2-NH1 2.74Å; E1618-R1621 PolarHBondContact OE2-NH1 3.29Å; E1618-V1622 WeakPolarHBondContact O-CB 3.35Å; E1618-V1622 WeakPolarHBondContact O-CG2 3.45Å; E1618-V1622 PolarHBondContact O-N 2.84Å
1619K85.3Confident78.9Confident148 Ų148111.9 Ų111.964%0.64352%0.516SS*.Hα-helixtrans-62.4-40.4171.1-171.7175.6-179.1-178.80112.1K1615 L1616 E1623K1615-K1619 WeakPolarHBondContact O-CB 3.32Å; K1615-K1619 PolarHBondContact O-N 2.9Å; L1616-K1619 PolarHBondContact O-N 2.81Å; K1619-E1623 WeakPolarHBondContact O-CB 3.37Å; K1619-E1623 PolarHBondContact O-N 3.35Å
1620Q83.5Confident77.9Confident104 Ų104111.2 Ų111.249%0.48651%0.512SS..Hα-helixtrans-66-39.4173.6-74.6-178.8-3.300112.1L1616 L1617 E1618 E1623 I1624L1616-Q1620 WeakPolarHBondContact O-CG 3.44Å; L1616-Q1620 PolarHBondContact O-N 2.89Å; L1617-Q1620 CarbonylContact O-C 3.59Å; L1617-Q1620 PolarHBondContact O-N 3.05Å; E1618-Q1620 VanDerWaalsContact C-N 3.35Å; E1618-Q1620 PolarHBondContact O-N 3.47Å; Q1620-E1623 PolarHBondContact O-N 3.43Å; Q1620-I1624 WeakPolarHBondContact O-CB 3.44Å; Q1620-I1624 WeakPolarHBondContact O-CD1 3.22Å; Q1620-I1624 WeakPolarHBondContact O-CG1 3.46Å; Q1620-I1624 PolarHBondContact O-N 3.13Å
1621R85.6Confident76.6Confident157 Ų157110.5 Ų110.559%0.59252%0.519SS*.Hα-helixtrans-62.6-47.2175178.9-178.2167.8-144.31.6111.4L1617 E1618 E1623 I1624 E1625L1617-R1621 WeakPolarHBondContact O-CB 3.02Å; L1617-R1621 PolarHBondContact O-N 3.5Å; E1618-R1621 VanDerWaalsContact CD-NH1 3.27Å; E1618-R1621 PolarHBondContact O-N 2.56Å; E1618-R1621 WeakPolarHBondContact OE1-CD 3.4Å; E1618-R1621 IonicContact OE1-CZ 2.75Å; E1618-R1621 IonicContact OE1-NE 3.89Å; E1618-R1621 IonicContact OE1-NH1 3.07Å; E1618-R1621 PolarHBondContact OE1-NH1 3.2Å; E1618-R1621 WeakPolarHBondContact OE2-CD 3.23Å; E1618-R1621 IonicContact OE2-CZ 3.17Å; E1618-R1621 IonicContact OE2-NH1 2.74Å; E1618-R1621 PolarHBondContact OE2-NH1 3.29Å; R1621-E1623 VanDerWaalsContact C-N 3.34Å; R1621-E1623 PolarHBondContact O-N 3.44Å; R1621-I1624 PolarHBondContact O-N 3.37Å; R1621-E1625 WeakPolarHBondContact O-CB 3.24Å; R1621-E1625 PolarHBondContact O-N 2.9Å
1622V82.1Confident74.6Confident83 Ų83114.1 Ų114.150%0.50353%0.525SS..Hα-helixtrans-63-39.3176.2170.60000111.3E1618 E1625 R1626E1618-V1622 WeakPolarHBondContact O-CB 3.35Å; E1618-V1622 WeakPolarHBondContact O-CG2 3.45Å; E1618-V1622 PolarHBondContact O-N 2.84Å; V1622-E1625 PolarHBondContact O-N 3.46Å; V1622-R1626 WeakPolarHBondContact O-CB 3.47Å; V1622-R1626 PolarHBondContact O-N 3.1Å
1623E80Confident72.2Confident87 Ų87114.9 Ų114.941%0.40754%0.537SS..Hα-helixtrans-68.6-40.6175.1-162.461.8-131.200112K1619 Q1620 R1621 E1625 R1626 L1627K1619-E1623 WeakPolarHBondContact O-CB 3.37Å; K1619-E1623 PolarHBondContact O-N 3.35Å; Q1620-E1623 PolarHBondContact O-N 3.43Å; R1621-E1623 VanDerWaalsContact C-N 3.34Å; R1621-E1623 PolarHBondContact O-N 3.44Å; E1623-E1625 VanDerWaalsContact C-N 3.32Å; E1623-E1625 PolarHBondContact O-N 3.32Å; E1623-R1626 PolarHBondContact O-N 3.29Å; E1623-R1626 IonicContact OE1-NE 3.19Å; E1623-L1627 WeakPolarHBondContact O-CB 3.37Å; E1623-L1627 VanDerWaalsContact O-CG 3.28Å; E1623-L1627 WeakPolarHBondContact O-CG 3.42Å; E1623-L1627 PolarHBondContact O-N 3.41Å
1624I77.3Confident70.5Confident90 Ų90115.8 Ų115.846%0.46255%0.551SS.*Hα-helixtrans-63.1-39173.4-72.7164.8000110.9Q1620 R1621 L1627 R1628Q1620-I1624 WeakPolarHBondContact O-CB 3.44Å; Q1620-I1624 WeakPolarHBondContact O-CD1 3.22Å; Q1620-I1624 WeakPolarHBondContact O-CG1 3.46Å; Q1620-I1624 PolarHBondContact O-N 3.13Å; R1621-I1624 PolarHBondContact O-N 3.37Å; I1624-L1627 PolarHBondContact O-N 2.86Å; I1624-R1628 WeakPolarHBondContact O-CB 3.47Å; I1624-R1628 VanDerWaalsContact O-CG 3.23Å; I1624-R1628 WeakPolarHBondContact O-CG 3.11Å; I1624-R1628 PolarHBondContact O-N 3.13Å
1625E74Confident68Low93 Ų93121.4 Ų121.444%0.43557%0.567SS.*Hα-helixtrans-75.6-30.1178.5-15159-143.100111.9R1621 V1622 E1623 R1628 S1629R1621-E1625 WeakPolarHBondContact O-CB 3.24Å; R1621-E1625 PolarHBondContact O-N 2.9Å; V1622-E1625 PolarHBondContact O-N 3.46Å; E1623-E1625 VanDerWaalsContact C-N 3.32Å; E1623-E1625 PolarHBondContact O-N 3.32Å; E1625-R1628 PolarHBondContact O-N 3.32Å; E1625-R1628 WeakPolarHBondContact OE2-CD 3.48Å; E1625-R1628 IonicContact OE2-CZ 3.63Å; E1625-R1628 IonicContact OE2-NE 2.74Å; E1625-R1628 IonicContact OE2-NH1 3.46Å; E1625-R1628 PolarHBondContact OE2-NH1 3.03Å; E1625-S1629 WeakPolarHBondContact O-CB 3.31Å; E1625-S1629 PolarHBondContact O-N 3.36Å; E1625-S1629 PolarHBondContact O-OG 2.86Å
1626R75.6Confident65.4Low140 Ų140117.8 Ų117.853%0.52857%0.568SS.*Hα-helixtrans-66.8-38.1168.2177.8177172.381.40.2112.4V1622 E1623 S1629 K1630V1622-R1626 WeakPolarHBondContact O-CB 3.47Å; V1622-R1626 PolarHBondContact O-N 3.1Å; E1623-R1626 PolarHBondContact O-N 3.29Å; E1623-R1626 IonicContact OE1-NE 3.19Å; R1626-S1629 PolarHBondContact O-OG 2.94Å; R1626-K1630 WeakPolarHBondContact O-CB 3.33Å; R1626-K1630 WeakPolarHBondContact O-CG 3.15Å; R1626-K1630 PolarHBondContact O-N 2.89Å; R1626-K1630 VanDerWaalsContact O-N 3.1Å
1627L71.2Confident63.1Low92 Ų92119.4 Ų119.448%0.48258%0.582SS.*Hα-helixtrans-70.2-37.5171.9-71.1167.2000111.3E1623 I1624 I1631E1623-L1627 WeakPolarHBondContact O-CB 3.37Å; E1623-L1627 VanDerWaalsContact O-CG 3.28Å; E1623-L1627 WeakPolarHBondContact O-CG 3.42Å; E1623-L1627 PolarHBondContact O-N 3.41Å; I1624-L1627 PolarHBondContact O-N 2.86Å; L1627-I1631 WeakPolarHBondContact O-CB 3.32Å; L1627-I1631 WeakPolarHBondContact O-CD1 3.11Å; L1627-I1631 VanDerWaalsContact O-CG1 3.27Å; L1627-I1631 WeakPolarHBondContact O-CG1 3.44Å; L1627-I1631 PolarHBondContact O-N 3.26Å
1628R68.1Low60.8Low147 Ų147119.5 Ų119.556%0.55559%0.591SS**Hα-helixtrans-67.3-38.8173.7-76.4166.7167.3-166-4.1113I1624 E1625 I1631 R1632I1624-R1628 WeakPolarHBondContact O-CB 3.47Å; I1624-R1628 VanDerWaalsContact O-CG 3.23Å; I1624-R1628 WeakPolarHBondContact O-CG 3.11Å; I1624-R1628 PolarHBondContact O-N 3.13Å; E1625-R1628 PolarHBondContact O-N 3.32Å; E1625-R1628 WeakPolarHBondContact OE2-CD 3.48Å; E1625-R1628 IonicContact OE2-CZ 3.63Å; E1625-R1628 IonicContact OE2-NE 2.74Å; E1625-R1628 IonicContact OE2-NH1 3.46Å; E1625-R1628 PolarHBondContact OE2-NH1 3.03Å; R1628-I1631 CarbonylContact O-C 3.55Å; R1628-I1631 PolarHBondContact O-N 3.41Å; R1628-R1632 VanDerWaalsContact O-CB 3.29Å; R1628-R1632 WeakPolarHBondContact O-CB 3.5Å; R1628-R1632 PolarHBondContact O-N 3.16Å; R1628-R1632 VanDerWaalsContact O-N 3.13Å
1629S58.9Low58.3Low71 Ų71123.1 Ų123.150%0.49762%0.618SS.*Hα-helixtrans-69-39.4176.365.70000111.5E1625 R1626 I1631 R1632E1625-S1629 WeakPolarHBondContact O-CB 3.31Å; E1625-S1629 PolarHBondContact O-N 3.36Å; E1625-S1629 PolarHBondContact O-OG 2.86Å; R1626-S1629 PolarHBondContact O-OG 2.94Å; S1629-I1631 PolarHBondContact O-N 3.15Å; S1629-R1632 CarbonylContact O-C 3.58Å; S1629-R1632 WeakPolarHBondContact O-CA 3.41Å; S1629-R1632 PolarHBondContact O-N 3.27Å
1630K58.7Low55.8Low84 Ų84122.6 Ų122.637%0.36562%0.622SS.*Hα-helixtrans-59.9-31168.4-80.5-178.7161.5-71.10113.8D262 R1626 R1632D262-K1630 IonicContact OD1-NZ 3.4Å; D262-K1630 PolarHBondContact OD1-NZ 3.02Å; D262-K1630 IonicContact OD2-NZ 3.78Å; D262-K1630 PolarHBondContact OD2-NZ 3.21Å; R1626-K1630 WeakPolarHBondContact O-CB 3.33Å; R1626-K1630 WeakPolarHBondContact O-CG 3.15Å; R1626-K1630 PolarHBondContact O-N 2.89Å; R1626-K1630 VanDerWaalsContact O-N 3.1Å; K1630-R1632 VanDerWaalsContact C-N 3.28Å
1631I52.5Low53.3Low147 Ų147122.9 Ų122.975%0.75463%0.632SS**THydrogen-bonded Turntrans-80.5-7173-70.4166.7000112.2L1627 R1628 S1629L1627-I1631 WeakPolarHBondContact O-CB 3.32Å; L1627-I1631 WeakPolarHBondContact O-CD1 3.11Å; L1627-I1631 VanDerWaalsContact O-CG1 3.27Å; L1627-I1631 WeakPolarHBondContact O-CG1 3.44Å; L1627-I1631 PolarHBondContact O-N 3.26Å; R1628-I1631 CarbonylContact O-C 3.55Å; R1628-I1631 PolarHBondContact O-N 3.41Å; S1629-I1631 PolarHBondContact O-N 3.15Å
1632R38.2Very low50.7Low201 Ų201123.5 Ų123.576%0.75864%0.642SS**  trans-117.745.6-171.7-155.8178.3-163.81634.3114.1R1628 S1629 K1630 P1634R1628-R1632 VanDerWaalsContact O-CB 3.29Å; R1628-R1632 WeakPolarHBondContact O-CB 3.5Å; R1628-R1632 PolarHBondContact O-N 3.16Å; R1628-R1632 VanDerWaalsContact O-N 3.13Å; S1629-R1632 CarbonylContact O-C 3.58Å; S1629-R1632 WeakPolarHBondContact O-CA 3.41Å; S1629-R1632 PolarHBondContact O-N 3.27Å; K1630-R1632 VanDerWaalsContact C-N 3.28Å; R1632-P1634 WeakPolarHBondContact O-CD 3.46Å
1633V35.6Very low48.3Very low127 Ų127126.4 Ų126.477%0.7765%0.652SS**  trans-64.9120.3161.9179.90000108.9
1634P40.3Very low46Very low108 Ų108128.9 Ų128.970%0.70167%0.666SS**  trans-82.4125.6-170.830.8-33.8000112.8R1632 A1636R1632-P1634 WeakPolarHBondContact O-CD 3.46Å; P1634-A1636 PolarHBondContact O-N 3.13Å; P1634-A1636 VanDerWaalsContact O-N 3.12Å
1635R27.2Very low43.8Very low245 Ų245127.7 Ų127.793%0.92568%0.676SS**  trans-72.597.2165.7177.7-177.3176.1169.5-1.2109.5
1636A30.8Very low41.9Very low90 Ų90130.1 Ų130.174%0.74469%0.692SS**  trans-130.188.6178.600000112P1634P1634-A1636 PolarHBondContact O-N 3.13Å; P1634-A1636 VanDerWaalsContact O-N 3.12Å
1637T34.9Very low39.8Very low126 Ų126131 Ų13177%0.77371%0.707SS**  trans-109.8125.8161.649.90000109
1638S31.8Very low38Very low105 Ų105135.8 Ų135.873%0.73473%0.728SS**  trans-11.1126.7171.5-170.10000118.1
1639V32.9Very low36.3Very low141 Ų141132.7 Ų132.786%0.85573%0.733SS**  trans-130.7144.2143.1-173.80000106.5
1640N32Very low35.1Very low137 Ų137136.2 Ų136.273%0.73375%0.746SS**  trans-68.4154.7-169-64.5-18.7000113.8
1641P31.8Very low33.9Very low109 Ų109137.3 Ų137.371%0.70876%0.76SS**  trans-75.1-172.7153.437.4-36.1000111
1642E30.6Very low33Very low170 Ų170136.4 Ų136.479%0.79476%0.762SS**  trans79100.8168.8-65.5-161.693.700119.3
1643M31.8Very low32.6Very low145 Ų145134.2 Ų134.271%0.71476%0.764SS**  97.9109117.6-68.1-62.7-115.200121
1644I32.5Very low32.4Very low138 Ų138134.1 Ų134.171%0.70876%0.764SS**  trans78.790.7141.2-54163.9000117
1645G31.4Very low31.9Very low65 Ų65133 Ų13367%0.6776%0.764SS**  119.9139.69300000116.9
1646D32.6Very low32Very low145 Ų145128.1 Ų128.178%0.77576%0.756SS**  cis-154.1163.8-9.7-83.7-51.4000109.5
1647D32.5Very low32Very low157 Ų157131.7 Ų131.784%0.8476%0.757SS**  trans-74.2-176172-51.4-85.8000111.6
1648E32.3Very low31.7Very low194 Ų194130.9 Ų130.991%0.90776%0.756SS**  cis-149.1-136.55.5-155.1-175.5-171.300110.7
1649A33.8Very low31.7Very low81 Ų81129.6 Ų129.667%0.66975%0.752SS**  trans-114172.4-161.500000116.3
1650D32.4Very low31.4Very low145 Ų145130.7 Ų130.778%0.77575%0.752SS**  trans45.4107.5156.4-92.5-55.2000122.5
1651T34Very low31.3Very low107 Ų107127.3 Ų127.366%0.65675%0.75SS**  66.9103.5114.3-57.40000120.6
1652T34.2Very low31.1Very low129 Ų129129.3 Ų129.379%0.79176%0.755SS**  trans95.1137.6144.657.40000123.5
1653L30.2Very low31.2Very low154 Ų154125.7 Ų125.781%0.80675%0.754SS**  trans77.671.2157.8-69.8175.7000121.5
1654T31.2Very low31Very low126 Ų126123.6 Ų123.677%0.77375%0.754SS**  74138.7115.6-56.40000120.9
1655A30.1Very low30.7Very low84 Ų84124.3 Ų124.369%0.69476%0.758SS**  trans73.7130.2166.900000116.6
1656L28.9Very low30.5Very low143 Ų143125.7 Ų125.775%0.74976%0.757SS**  cis-150.7131.2-1.4-101.1157.1000110.4
1657Q29.4Very low30.2Very low164 Ų164126.6 Ų126.677%0.76676%0.761SS**  48.3103.2123-162.8166.761.400116.9
1658S30.1Very low30.5Very low109 Ų109124.5 Ų124.576%0.76276%0.756SS**  131.5169.582.254.70000110.3
1659A30.3Very low30.3Very low79 Ų79119.3 Ų119.365%0.65375%0.747SS**  cis-172.5162.5-36.600000108.4
1660L26.5Very low30.1Very low163 Ų163121 Ų12185%0.85375%0.754SS**  trans64.2127.5162.6-61150.4000116.9
1661G29.7Very low30.6Very low67 Ų67119.7 Ų119.769%0.69175%0.753SS**  cis144.5-157-5.300000112.7
1662N28.8Very low31.1Very low150 Ų150120.2 Ų120.280%0.80276%0.758SS**  trans71.5146.3168.8-65.1-16.3000119.2
1663A31.8Very low31.4Very low95 Ų95120 Ų12079%0.78576%0.759SS**  trans69.7148.3164.300000118.8
1664S27.2Very low31.3Very low100 Ų100119.7 Ų119.770%0.69976%0.758SS**  cis175142.4-40.5-107.10000109.3
1665L27Very low31.3Very low154 Ų154119.7 Ų119.781%0.80676%0.758SS**  trans63132.3145.4-61.9167000121.2
1666S26.6Very low31.2Very low93 Ų93124 Ų12465%0.6576%0.764SS**  trans73.7115.1134.363.30000122.9
1667L26.4Very low31.3Very low164 Ų164123.3 Ų123.386%0.85977%0.766SS**  trans69.7168.8130.1-63173.4000118.6
1668P38.9Very low31.4Very low113 Ų113120.3 Ų120.373%0.73476%0.759SS**  cis-134.7-167.8-40.236.7-19.1000114
1669A29.5Very low31.3Very low86 Ų86124 Ų12471%0.71176%0.761SS**  trans76.1109.3156.500000119.2
1670S29.8Very low31.2Very low116 Ų116125.6 Ų125.681%0.81176%0.763SS**  73.6148.872.8-66.70000116.3
1671P43.1Very low31.3Very low117 Ų117124.7 Ų124.776%0.7676%0.759SS**  cis-139.6169.6-23.837.7-19.5000116.3
1672P42.8Very low31.3Very low118 Ų118126.9 Ų126.977%0.76676%0.759SS**  trans-108166.1178.340.3-34.3000116.2
1673P41.2Very low31.2Very low125 Ų125125.4 Ų125.481%0.81276%0.756SS**  trans-89.2173.6172.737.4-36.6000114.2
1674N28.8Very low31.1Very low147 Ų147126.8 Ų126.879%0.78675%0.754SS**  trans-162.4154.6-170.6-129.9-3.5000116.5
1675T29.6Very low31.5Very low126 Ų126129.8 Ų129.877%0.77376%0.76SS**  trans36149.1147.354.30000125.1
1676E28.7Very low32.1Very low176 Ų176127.4 Ų127.482%0.82275%0.754SS**  trans-90.2170169.7-80.1-159.7107.400116
1677T31.9Very low32.4Very low128 Ų128127.5 Ų127.579%0.78576%0.755SS**  trans75.7142.1174.577.50000115.6
1678T30.3Very low32.5Very low101 Ų101126.5 Ų126.562%0.6275%0.75SS**  cis-155.31523.9-16.60000112.1
1679K28Very low32.1Very low185 Ų185126.6 Ų126.680%0.80475%0.749SS**  trans51.7151139-89173.2-173.5175.50120.8
1680V27.8Very low32.1Very low114 Ų114130.3 Ų130.369%0.69176%0.756SS**  cis-148.7143.83.6-169.20000109.5
1681N29.4Very low32.2Very low144 Ų144128.7 Ų128.777%0.7775%0.749SS**  trans173.9126.3133.6-97.5-22.3000110
1682T29.5Very low31.9Very low112 Ų112129.8 Ų129.869%0.68775%0.754SS**  70.2121.271.5-54.60000111.2
1683T26.9Very low31.5Very low120 Ų120133.4 Ų133.474%0.73675%0.752SS**  cis-167.3-172.7-7.6-87.20000105.7
1684V30.9Very low31.2Very low124 Ų124134.4 Ų134.475%0.75275%0.748SS**  trans96.6107.4164.9-171.10000115.9
1685I34.3Very low31.6Very low162 Ų162132.7 Ų132.783%0.83174%0.743SS**  trans-90.6144.6160.6-49.9161.5000106.4
1686P41Very low32Very low105 Ų105134.8 Ų134.868%0.68275%0.746SS**  -148.1142.2118.834.7-18.3000115.8
1687S31.8Very low32.3Very low94 Ų94129.9 Ų129.966%0.65773%0.731SS**  trans67.5132.6142.4-66.50000120.1
1688D28.8Very low32.5Very low144 Ų144132.8 Ų132.877%0.7774%0.736SS**  74.4135.253.9-64-43.7000111.9
1689V30.2Very low32.7Very low115 Ų115132.6 Ų132.670%0.69774%0.739SS**  cis-166.21803.7103.80000111.5
1690L30.6Very low32.9Very low164 Ų164128.9 Ų128.986%0.85974%0.736SS**  trans81162.6159.9-125.781.3000117.9
1691A30.3Very low33.2Very low82 Ų82129 Ų12968%0.67874%0.737SS**  -168.2159-78.300000110.7
1692T36.9Very low33.4Very low140 Ų140129.3 Ų129.386%0.85973%0.732SS**  trans-177.8143.7157.4-89.60000110.4
1693R35Very low33.5Very low193 Ų193130.2 Ų130.273%0.72874%0.742SS**  cis-173.7131.8-20.5178173.4173.2175.3-1110.6
1694M33.8Very low33.8Very low147 Ų147128.4 Ų128.472%0.72474%0.735SS**  trans66.4161159.6-74.2167177.700117.9
1695T39.1Very low34Very low110 Ų110130.2 Ų130.268%0.67574%0.74SS**  cis-150.914811.6-7.70000112.2
1696M37.9Very low33.8Very low170 Ų170128 Ų12884%0.83773%0.734SS**  trans58.3149152.5-59.1-57.8178.600120.9
1697S34.1Very low33.2Very low74 Ų74128 Ų12852%0.51774%0.736SS.*  cis-172139-22.557.70000111.8
1698Q35.2Very low33.2Very low189 Ų189129.9 Ų129.988%0.88374%0.744SS**  trans64.2143.5161.2-57.2165.799.200116.4
1699S34.8Very low33.2Very low97 Ų97128.3 Ų128.368%0.67874%0.744SS**  cis-149.3132-6.847.40000106.5
1700S32.6Very low33.4Very low107 Ų107128 Ų12875%0.74875%0.747SS**  59.4129.167.490.30000112.3
1701T33.4Very low33.5Very low116 Ų116131 Ų13171%0.71275%0.747SS**  cis-151.1161.720.253.50000115.3
1702K34.3Very low33.6Very low150 Ų150135.7 Ų135.765%0.65276%0.755SS**  trans55.6112.4141.9-72.7169.1-179.1-175.40121.3
1703S30.7Very low33.3Very low131 Ų131139 Ų13992%0.91675%0.751SS**SBend-103.889.3126.2-66.60000109
1704S34.7Very low33.1Very low82 Ų82135.8 Ų135.857%0.57375%0.749SS**  trans-169.1122.1169.66.90000112.9
1705N34.2Very low33Very low162 Ų162135.4 Ų135.487%0.86675%0.749SS**  trans13.8123.8160.5-59.5-6.4000120.7
1706V30Very low32.6Very low115 Ų115137.8 Ų137.870%0.69775%0.753SS**  trans-133.9113.1153.3176.60000104.3
1707S29.2Very low32.3Very low105 Ų105135.4 Ų135.473%0.73475%0.753SS**  70.2155.375.2-49.20000112.4
1708V31.7Very low32.2Very low134 Ų134136 Ų13681%0.81276%0.762SS**  cis-141.615422.7-174.80000112.2
1709S28.2Very low32.7Very low112 Ų112133.1 Ų133.178%0.78376%0.76SS**  trans-68.2162-179.1-230000117.5
1710S34.5Very low33.4Very low107 Ų107133.6 Ų133.675%0.74876%0.761SS**  trans-150.3118.7133.953.50000110.5
1711R32.9Very low33.4Very low227 Ų227139 Ų13986%0.85777%0.765SS**  71.2114.2105.7-68.4178.2178.2-177.8-0.5113.8
1712H32.1Very low33.5Very low182 Ų182140.1 Ų140.184%0.84376%0.762SS**  58.1132.192.8-73.7-13.8000113.1
1713R31.4Very low33.5Very low209 Ų209140.2 Ų140.279%0.78976%0.764SS**  cis-164.2162.928.1-143-177.9162.11591.7113
1714D31.4Very low33.6Very low126 Ų126140.3 Ų140.367%0.67475%0.75SS**  trans69.7144.3154.1-57.2-39.6000123.8
1715N30.8Very low33.5Very low138 Ų138143.9 Ų143.974%0.73876%0.757SS**  trans84.8109.7153.2-85-22000125
1716Q30.8Very low33.3Very low161 Ų161145.4 Ų145.475%0.75276%0.759SS**  trans83.4128132.9-64.3178.744.500123.1
1717S32.3Very low33.9Very low119 Ų119144.9 Ų144.983%0.83276%0.758SS**  trans64.4159.7154.5-64.40000119.3
1718A31.4Very low34Very low87 Ų87148.2 Ų148.272%0.71976%0.762SS**  cis-165.1151.6-32.900000108.7
1719P46.3Very low34.5Very low128 Ų128147.8 Ų147.883%0.83176%0.761SS**  trans-103.5160.7-170.538.9-35.7000115.6
1720P47.8Very low35.3Very low108 Ų108147.4 Ų147.470%0.70176%0.756SS**  trans-141133.5153.835.6-19.1000117
1721R33.7Very low35.6Very low219 Ų219151.3 Ų151.383%0.82676%0.762SS**  60.4154.8128.4-60.5-178.5141153-0.7120.8
1722H35.2Very low35.7Very low141 Ų141149 Ų14965%0.65376%0.761SS**  cis-156.7142.3-19.5-97.3-52.2000104.8
1723H34.1Very low36.5Very low151 Ų151145.3 Ų145.370%0.69975%0.753SS**  50.8136.879-72.27.6000114.9
1724H32.9Very low36.7Very low133 Ų133142.8 Ų142.862%0.61675%0.75SS**  cis-162.5157.89.7-129.1-1.5000114.5
1725H32.8Very low36.7Very low157 Ų157142.9 Ų142.973%0.72775%0.75SS**  trans44.5142.3145.2-69.5-32000125.6
1726Q29.7Very low36.8Very low194 Ų194143 Ų14391%0.90775%0.746SS**  trans-143.5126.8149.2-165.8177.53800109.7
1727P43.4Very low37Very low104 Ų104140.9 Ų140.968%0.67574%0.74SS**  trans-124.3166.9-177.441.1-30.7000116
1728H29.9Very low37Very low176 Ų176141.7 Ų141.782%0.81573%0.73SS**  trans25.6145.4154.4-68.7-73.7000123.5
1729P42.3Very low37Very low124 Ų124147.2 Ų147.281%0.80573%0.734SS**  -132.715012838-28.9000113.4
1730P45.6Very low36.2Very low104 Ų104149.8 Ų149.868%0.67573%0.734SS**  -151.5173.3120.230.6-9.4000117
1731H40.7Very low35.9Very low189 Ų189149.7 Ų149.788%0.87573%0.734SS**  trans108.2148.1162-70.2-78.3000121.4
1732H34.6Very low36.2Very low180 Ų180144.4 Ų144.483%0.83373%0.728SS**  trans-105.6-170.8-167.5-112.4-53.4000110.7
1733P50.2Low35.8Very low104 Ų104145.9 Ų145.968%0.67574%0.735SS**  cis-133.5-153.718.544.5-23.1000112.5
1734H34.3Very low35.5Very low156 Ų156144.6 Ų144.672%0.72273%0.733SS**  cis-161.5160.4-6.7-141.516000111.2
1735L32.5Very low35.5Very low128 Ų128145.8 Ų145.867%0.6774%0.739SS**  trans62.2152156.4-65.3166.6000118.3
1736Q33Very low35.6Very low140 Ų140144.3 Ų144.365%0.65474%0.741SS**  cis-153.1149.97.3-161.8129.2-2.300112.7
1737N33.2Very low35.7Very low117 Ų117140.2 Ų140.263%0.62673%0.734SS**  trans64.3147.7157.7-71.45.9000119.9
1738H33Very low35.2Very low135 Ų135139.3 Ų139.363%0.62574%0.735SS**  cis-165154.3-12.7-118.4-29.8000113.5
1739Y31.7Very low35.3Very low204 Ų204137.9 Ų137.980%0.874%0.739SS**  trans68.3173.4152.8-76.6-64000122.3
1740H29Very low34.7Very low181 Ų181136.3 Ų136.384%0.83874%0.736SS**  trans-139.4-152.2-152.5-140.2-21.4000110.9
1741P42Very low34.5Very low106 Ų106137 Ų13769%0.68874%0.741SS**  trans-84.9-170.6-154.846.1-42.4000113.3
1742P39Very low34.2Very low109 Ų109133.6 Ų133.671%0.70874%0.737SS**  cis-147.2-173.813.845.7-24.9000118.9
1743Q28Very low34.5Very low172 Ų172130.4 Ų130.480%0.80473%0.732SS**  trans46.8137.2147.2-78.2-175.8-0.400124.1
1744N28.6Very low33.5Very low123 Ų123131.1 Ų131.166%0.65874%0.74SS**  trans92.1142.1136.7-94.913.4000123.7
1745H32.2Very low33.5Very low159 Ų159128.2 Ų128.274%0.73674%0.742SS**  trans86.4147.3159.7-59.8-54.7000121.3
1746T35.1Very low33.3Very low126 Ų126130.8 Ų130.877%0.77375%0.753SS**  trans59.2115.2177.953.80000116.5
1747S31.6Very low33.2Very low108 Ų108129.4 Ų129.476%0.75575%0.754SS**  70.712953.279.70000113.8
1748A32.1Very low33Very low84 Ų84131.2 Ų131.269%0.69476%0.759SS**  cis-166.2178.7-6.400000110.6
1749T31.8Very low32.8Very low147 Ų147130.8 Ų130.890%0.90276%0.761SS**  trans68.7141.3159.233.20000120.2
1750A30.7Very low32.6Very low91 Ų91129.1 Ų129.175%0.75276%0.76SS**  trans-96.3-166.7169.100000109
1751P41.2Very low32.7Very low119 Ų119124.3 Ų124.377%0.77375%0.751SS**  cis-138.2-165.53.241.7-20.6000115.9
1752C34.6Very low32.3Very low117 Ų117125.7 Ų125.779%0.79176%0.757SS**  trans-37.3153.8166.2-51.70000114.7
1753P39.8Very low32.2Very low112 Ų112124.7 Ų124.773%0.72775%0.753SS**  -153.5163.863.742.2-22000120.2
1754S30.1Very low32.5Very low120 Ų120123 Ų12384%0.83975%0.75SS**  trans51.2147.6139.6-59.80000125.3
1755A33.7Very low33.1Very low94 Ų94123.5 Ų123.578%0.77775%0.752SS**  trans82.783.4148.200000121.7
1756M28.9Very low33.1Very low183 Ų183122.3 Ų122.390%0.90175%0.752SS**  68.1156.2115.9-144.7173.7-177.600122.2
1757V31.7Very low33.4Very low110 Ų110122.6 Ų122.667%0.66775%0.753SS**  trans77.279.4166.5-161.80000118.6
1758Q28.4Very low33.3Very low156 Ų156124.1 Ų124.173%0.72975%0.752SS**  57130.3116.9-79.7173.3-80.300124.3
1759L28.6Very low33.9Very low126 Ų126125.2 Ų125.266%0.6675%0.752SS**  trans88.8130.5131.5-72.8168000122.2
1760Q28Very low33.9Very low169 Ų169125 Ų12579%0.7975%0.745SS**  trans76.5150.8137.3-78.8172.3-40.100119
1761A29.8Very low34.3Very low79 Ų79129.2 Ų129.265%0.65375%0.749SS**  cis-163.6-158.4-3.800000111.1
1762V35.4Very low33.8Very low135 Ų135132.5 Ų132.582%0.81875%0.754SS**  trans99.8128.8150.7-170.50000113.8
1763S36.8Very low34.3Very low88 Ų88132.3 Ų132.362%0.61575%0.751SS**  cis-147.7145.615.8-136.70000115
1764N33.8Very low34.5Very low137 Ų137133 Ų13373%0.73376%0.755SS**  45149126.9-58.6-1000121.8
1765N40.6Very low34.7Very low133 Ų133135.7 Ų135.771%0.71175%0.754SS**  cis-136.2143.718-91.7-55.9000111
1766N32.8Very low35.1Very low135 Ų135136.5 Ų136.572%0.72275%0.752SS**  62.2125.990-138.94.1000113
1767V41Very low35.2Very low132 Ų132134.2 Ų134.280%0.875%0.748SS**  -152142.165.8165.40000113.5
1768N28.8Very low35.3Very low139 Ų139133.9 Ų133.974%0.74375%0.75SS**  trans-101167.4167-117.6-22.9000109.3
1769P46.1Very low35.6Very low107 Ų107131.2 Ų131.270%0.69575%0.749SS**  cis-154.9-173.139.238.6-14.2000118.7
1770L32.2Very low35.9Very low143 Ų143133.7 Ų133.775%0.74976%0.757SS**  116135.4128.1-137.477.5000120.9
1771H37.5Very low36.7Very low180 Ų180133 Ų13383%0.83376%0.757SS**  trans88.4159.4157.6-89.513.5000121.7
1772Q31.9Very low37.3Very low187 Ų187134.5 Ų134.587%0.87476%0.76SS**  trans-122168.1-155.3-100.3179.7-18.200112.3
1773P45.4Very low37.8Very low113 Ų113133 Ų13373%0.73475%0.753SS**  trans-87.6171.7-169.739.5-39.7000113.5
1774P43Very low37.9Very low126 Ų126138 Ų13882%0.81877%0.767SS**  -150176.192.639.8-21.7000117.1
1775H34.9Very low38.4Very low177 Ų177140 Ų14082%0.81980%0.802SS**  trans-61.8170.2161.3-67.9-81.3000111.9
1776P41Very low38.3Very low111 Ų111140.4 Ų140.472%0.72181%0.807SS**  cis-159.8170.540.345.4-22.6000122.5
1777V32.4Very low38.6Very low136 Ų136140.6 Ų140.682%0.82481%0.812SS**  trans69.8142.5137.9162.50000123.8
1778S33.6Very low38.4Very low102 Ų102141.1 Ų141.171%0.71381%0.812SS**  trans99.493.2155.8-77.20000124.1
1779S34.4Very low39Very low100 Ų100141.2 Ų141.270%0.69982%0.816SS**  74.9142.1119.772.80000125.5
1780Q33.9Very low38.6Very low179 Ų179143.4 Ų143.484%0.83682%0.824SS**  trans79.2122.4165.5-48.5-172.812.900117.4
1781I46.2Very low39Very low155 Ų155143.4 Ų143.480%0.79583%0.829SS**  cis76.9132.735.4-66.9179.8000113.4
1782P41.1Very low39.1Very low110 Ų110140.8 Ų140.871%0.71483%0.828SS**  cis-138.2-134-22.641.6-19.4000110.7
1783P46.8Very low39.7Very low103 Ų103137.2 Ų137.267%0.66983%0.825SS**  cis-131.7-171-31.438.6-20000115.5
1784Q39.3Very low39.2Very low193 Ų193139.3 Ų139.390%0.90283%0.833SS**  trans72.1122.7168.6-60.2-176.3300116.3
1785A43.7Very low38.8Very low179 Ų179140.5 Ų140.5100%1.47983%0.834SS**  cis-143.9041.800000113.8

Retrieved 1,785 of 1,785 residues in 1829.4 ms (Link to these results)

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